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3Department of Chemistry anD pharmaCy
e d i t o r i a l
department of chemistry and pharmacy – mission and Vision
Chemistryplaysanintegralroleintoday’sscientificendeavors.Itissituatedattheheartof
manyscientificdisciplinesassciencehasbecomeincreasinglyinterdisciplinary.Withastrong
committmenttoexcellenceineducationandresearchwearededicatedtothefundamental
chemicalsciencesaswellastoexploringfundamentalscientificproblemsattheinterface
betweenchemistryandotherdisciplines.
TheDepartmentofChemistryandPharmacyhasalongstandingtraditionofexcellence–
becauseofourvastresources,cutting-edgefacilities,andoutstandingfaculty––andisranked
amongthebestinthecountry.Thisisdocumentedbythequalityofitsprograms,thecaliber
ofitsfaculty,andtheexcellenceofitsstudents.
ThefacultyandstaffoftheDepartmentofChemistryandPharmacyprovideanenviron-
ment,wherestudentsatalllevelsexplore,discover,andlearnchemistrythroughcoursework
andresearch.Infact,undergraduate,graduate,andpost-graduatestudents/researchasso-
ciates join theDepartmentofChemistryandPharmacy fromacross thecountryand from
countriesallovertheworldtostudyinspecificresearchprogramsdirectedbytheUniversity
ofErlangen-Nürnberg’schemistryprofessors.
TheDepartmentemploys28professorspursuingresearchinallareasofchemistryand
pharmacy.Thefociofourrenownedandwell-fundedresearchprogramsaremolecularma-
terialsandbioactivemolecules.Modernresearchcutsacrosstraditionaldisciplinarybounda-
ries,andourfacultyplayskeyrolesattheforefrontofmultipleinterdepartmentalresearch
unitsattheUniversityofErlangen-NürnbergincludingtheClusterofExcellenceandseveral
CollaborativeResearchCenters.
Our motto: “A dedication to promote excellence and innovation in chemistry through educa-
tion and research.”
Andreas Görling
HeadoftheDepartmentofChemistryandPharmacy
5Department of Chemistry anD pharmaCy
c o n t e n t s
EditoriaL… …………………………………………………………………… 3
dEpartmEnt of ChEmistry and pharmaCy…………………… 6 Profile
profEssors… …………………………………………………………… 10 inorganic Chemistry Prof.Dr.Harder………………………………………………………… 10 Prof.Dr.Burzlaff… …………………………………………………… 12 Prof.Dr.K.Meyer……………………………………………………… 14 Prof.Bachmann………………………………………………………… 16 Prof.Dr.Dorta… ……………………………………………………… 18 Prof.Dr.Ivanovic-Burmazovic… …………………………………… 20 organic Chemistry Prof.Tykwinski………………………………………………………… 22 Prof.Dr.Schatz………………………………………………………… 24 Prof.Dr.Tsogoeva… ………………………………………………… 26 Prof.Dr.Hirsch… ……………………………………………………… 28 Prof.Dr.Mokhir………………………………………………………… 30 Prof.Dr.Bauer… ……………………………………………………… 32 Prof.Dr.Jux……………………………………………………………… 34 physical Chemistry Prof.Dr.Guldi…………………………………………………………… 36 Prof.Dr.Drewello……………………………………………………… 38 Prof.Dr.Kryschi … …………………………………………………… 40 Prof.Dr.Steinrück… ………………………………………………… 42 Prof.Dr.Fink… ………………………………………………………… 44 Prof.Dr.Libuda………………………………………………………… 46 theoretical Chemistry Prof.Dr.Görling……………………………………………………… 48 Prof.Dr.Zahn…………………………………………………………… 50 pharmacy and food Chemistry Prof.Dr.Gmeiner… …………………………………………………… 52 Prof.Dr.Eichler………………………………………………………… 54 Prof.Dr.Heinrich… …………………………………………………… 56 Prof.Dr.Pischetsrieder… …………………………………………… 58 Prof.Dr.Büttner………………………………………………………… 60 Prof.Dr.Lee… ………………………………………………………… 62 Prof.Dr.Friedland……………………………………………………… 64 Computer Chemistry Center (CCC) Prof.Dr.Clark…………………………………………………………… 66 interdisciplinary Center for molecular materials (iCmm) Prof.Dr.Gröhn… ……………………………………………………… 68 Prof.Dr.B.Meyer……………………………………………………… 70
young rEsEarChErs…………………………………………………… 72 privatdozenten PDDr.Gieseler… ……………………………………………………… 72
PDDr.Hesselmann…………………………………………………… 73 PDDr.Hieringer………………………………………………………… 74 PDDr.Lanig… ………………………………………………………… 75 PDDr.Marbach………………………………………………………… 76 PDDr.Puchta…………………………………………………………… 77 PDDr.RuizRuiz………………………………………………………… 78 habilitanden Dr.Eigler… ……………………………………………………………… 80 Dr.Filipovic……………………………………………………………… 80 Dr.Khusniyarov………………………………………………………… 81 Dr.Kivala………………………………………………………………… 81 Dr.Laurin………………………………………………………………… 82 Dr.Papp… ……………………………………………………………… 82 Dr.Shubina……………………………………………………………… 83 Dr.Tschammer… ……………………………………………………… 83
dfg programs…………………………………………………………… 84 CollaborativeResearchCentreSFB953… ……………………… 84 ResearchTrainingGroupGRK1910… …………………………… 85 ResearchUnitFOR1878… ………………………………………… 85 ClusterofExcellence“Engineeringof AdvancedMaterials(EAM)”………………………………………… 86
intErdisCipLinary CEntErs… …………………………………… 88 ComputerChemistryCenter(CCC)………………………………… 88 EmilFischerCenter(EFC)… ………………………………………… 88 ErlangenCatalysisResourceCenter(ECRC)… ………………… 89 InstituteofAdvancedMaterialsandProcesses(ZMP)… …… 89 InterdisciplinaryCenterforInterface-Controlled Processes(ICICP)… …………………………………………………… 90 InterdisciplinaryCenterforMolecularMaterials(ICMM) …… 90 CentralInstituteforScientificComputing(ZISC) …………… 91
graduatE sChooLs… ………………………………………………… 92 EmilFischerGraduateProgamme………………………………… 92 GraduateSchoolAdvancedMaterialsandProcesses………… 92 GraduateSchoolMolecularScience……………………………… 93
CurriCuLum… …………………………………………………………… 94 OurDegreePrograms………………………………………………… 94 Chemistry………………………………………………………………… 95 MolecularScience… ………………………………………………… 95 Pharmacy … …………………………………………………………… 96 FoodChemistry………………………………………………………… 96 Prof.Dr.Kometz,DidacticsofChemistry………………………… 97
WhErE to find us… …………………………………………………… 98 ErlangenCity,SouthCampus
6 profile 2014
d e p a r t m e n t o f c h e m i s t r y a n d p h a r m a c y
department of chemistry and pharmacy
profiLE
TheFriedrich-Alexander-UniversitätErlangen-Nürnberg(FAU)was
foundedin1743.Itsmission“advance through networks” reflects
FAU’s comprehensive networks of interdisciplinary collaborations,
whicharebasedonexcellence inawiderangeof researchareas.
Forthefall/wintertermof2014/15,about39,000studentsareen-
rolled at the FAU.The latter places the FAUamong the12 largest
universitiesinGermany.In2013,theFAUraised171millioneurosin
third-partyfundingforresearch.576professorsand3,400academic
staffmemberseducateand train39,085students.Among thefive
FAUFacultiestheFacultyofSciencesfeaturesfiveDepartments,that
are,Biology, mathematics, geography and geosciences, physics
aswellasChemistry and pharmacy. The department of Chemistry and pharmacy (dCp) is made
upoftwoseparate,namelyChemistry,ononehand,andPharmacy
andFoodChemistry,ontheotherhand.Botharecooperatingclosely
withotherFacultieswithintheFAU,especiallywiththeFacultiesof
EngineeringandMedicineaswellaswithotherdepartmentswithin
theFacultyofSciences.Thecooperationsrangefromjointresearch
projectsandinterdisciplinaryresearchcenterstoextensiveexchan-
geofstudentsattheundergraduateandgraduatelevels.
The dCpcomprises8chairsinChemistryforInorganic,Organic,Physical,andTheoreticalChemistryand3chairs inPharmacyand
FoodChemistry forMedicinalChemistry,Pharmaceutics, andFood
Chemistry. A total of 28 professors hold appointments in the va-
riousareas.Additionalsupportisprovidedby32permanentand117
non-permanent scientific staff members. External research funds
thattotaluptoanaverageofmorethan8MioEuroperyearenable
themeanstofinancemorethan114additionalscientists.
Overall,thecompellingresearchinthe dCphasreceivedtoprank-ingsnotonlyatthenationalbutalsoattheinternationallevel.Most
remarkable,therecent, independentstudycoordinatedbytheGer-
manScienceCouncilratesChemistryinErlangenas“worldclass”.
It has been stated that particular strengths of Chemistry in Erlan-
gen––withratings“fiveoutoffive”––aretheperformanceinresearch
quality, impact,and research. In the latest rankingof theGerman
ScienceFoundation(“DeutscheForschungsgemeinschaft”,DFG)on
third party funding across all GermanChemistry departments, the
dCp came insecondplace.Theaforementioned is roundedoffbythe“ShanghaiAcademic Ranking ofWorld Universities 2014” and
the“QSWorldUniversity Rankings 2014”,which list Chemistry at
the FAU in theTOP 75 and Pharmacy at the FAU in theTOP 100,
respectively.
Currentsdevelopments,asoutlinedinthefollowingsections,are
reflectionsofthenationalandinternationalstandingoftheDepart-
ment:
Since2005thedCpisacentralpartoftheClusterofExcellen-ce––“EngineeringofAdvancedMaterials(EAM)”,whichisfundedby
theFederalGovernmentviatheDFG(www.eam.fau.de).Amongthe
25leadPrincipalInvestigators(PI),6comefromChemistry.ThePIs
from thedCp contribute to the cluster research areas“MultiscaleModelling and Simulations”, “Engineering of Nanoelectronic Ma-
terials”,and“EngineeringofCatalyticMaterials”. In2012, funding
for the Cluster of Excellence EAMwas renewed for an additional
five-yearperiod.Furthermore,8additionalprojectleadersfromthe
dCpareassociatedwith theClusterofExcellence,which includessubstantialfundingforpersonalandinstrumentation.
7Department of Chemistry anD pharmaCy
d e p a r t m e n t o f c h e m i s t r y a n d p h a r m a c y
In2012,theDFGapprovedfundingfortheCollaborativeResearch
Center SFB 953 “Synthetic Carbon Allotropes” and the Research
TrainingGroupGRK1910“MedicinalChemistry of SelectiveGPCR
Ligands”.SFB953withabout10MioEuro for4yearssupportsa
totalof20groupswith9comingfromthedCp.TheGRK1910,whichisacollaborativeefforttogetherwiththeUniversityofRegensburg,
finances7groupsbelongingtothedCp with5MioEurofor4.5years. In2012, theStateofBavaria initiatedan interdisciplinarycon-
sortium“SolarTechnologiesGoHybrid––SolTech”bychemistsand
physicistsatfivedifferentBavarianUniversities,which iscurrently
coordinatedbythedCp.InErlangen,14outofthe15fundedgroupscomefromthedCpandaresupportedwith5MioEuroforaperiodof5years.
Finally,in2013,theResearchUnit“FunctionalMolecularStruc-
turesonComplexOxideSurfaces”(funCOS)wasestablishedbythe
DFGinErlangen.Itsupports14groupswith8ofthemfromthedCp with3MioEuroforaninitialperiodof3years.
The Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
supportsthedCpsince2011throughtheir“EmergingFieldInitiative”intheformof4differentprojects.2ofthemarecoordinatedbyPIs
fromChemistryand1fromPharmacy/FoodChemistry.Here,atotal
of2.4MioEurosupportatotalof9groups.
rEsEarCh foCi
TheresearchactivitiesofthedCpcoverawidespectrumintheareasofChemistry,MaterialsScience,Biology,andPharmaceutical
Science.The twomajor research foci of thedCp, molecular ma-terials and Bioactive molecules, constitute thebasis for theFAU
research foci“NewMaterials and Processes” and“Molecular Life
ScienceandMedicine”.
Thesynthesisandcharacterizationofmolecularmaterialswith
specialemphasisonelectronic,photophysical,andcatalyticproper-
tiesconstitutesoneofthetwomajorresearchfociofthedCp, mole-cular materials.Tothisend,differentformsofcarbonallotropesandredox-activemetalcomplexesrepresentsomeofthemostintensively
studiedclassesofmolecules.Bioactive molecules, ingeneral, andthedesign,synthesis,andexaminationofnovelneurotropicagents
for their activity towards signaling proteins––G-protein-coupled
receptors––inparticular,representthesecondmajorresearchfocus,
Bioactive molecules,oftheDepartment.Theresearchactivitiesin-tegratechemicalsynthesis,biologicalandpharmacological testing,
structure-activityrelationships,thetechnologyofdrugdeliveryand
investigationsofmolecularmechanismsofaction.
The research foci create the molecular bridge between the
FacultyofEngineering,ononeside,andtheFacultyofMedicine,on
the other.The strongly interwoven andmultiple interaction nature
of these researchactivitiesare the inception toa largenumberof
interdisciplinarycollaborativeresearchprojectswithintheuniversity
(CollaborativeResearchCenters(SFB),ResearchTrainingUnits(GRK))
and with other nationally and internationally leading institutions
(DFG Priority Programs, EU, BMBF, NIH (US), Volkswagenstiftung,
DAAD,Humboldt-Foundation,BayerischeForschungsförderung,etc.)
inwhichthedCpparticipatesinadditiontotheabovepresentedcol-laborativeresearchprojectsleadbythedCp.
Moreover,theresearchfociofthedCparevitalfortheFAUre- searchfocus“Energy,Environment,andClimate”.Microscopicunder-
8 profile 2014
standingofprocessesrelevantforenergy,environment,andclima-
teagainmeansunderstandingatthemolecularlevel.Theresearch
activitiesof thedCp furthermorecontributeandare related to theFAU research foci “Electronics, Information, and Communication”,
“HealthTechnology”,and“Opticsandopticaltechnologies”.Inother
words,thedCpisactivein6ofthe8FAUresearchfoci.
rEsEarCh EnvironmEnt and infrastruCturE
The researchactivitiesof thedCp areembedded inanumberofCentersat theFAU.Forexample, the Interdisciplinary Center for
Molecular Materialspromotesfundamentalandinterdisciplinaryre-
search at the frontier areas betweenChemistry, Physics, andMa-
terialsScience, the Interdisciplinary Center for Interface Controlled
Processesaimsatstrengtheninginterdisciplinaryresearchconsider-
ing interfaces ofmaterials, theComputer Chemistry Center amal-
gamatescompetencesoftheDepartmentwithrespecttosimulation
andcomputationalscience.TheEmil Fischer Center comprises re-
search groups from the Pharmaceutical Sciences, FoodChemistry
andMolecularMedicineand,assuch,crosslinksscientificworkon
bioactivemolecules,targetproteinsandbioanalytics.Thesecenters
arecoordinatedor,incaseoftheComputer Chemistry Center,formed
bymembersof thedCp. Inaddition, thedCp isavitalmember inthe Erlangen Catalysis Resource Center,theZentralinstitut für Scien-
tific Computing, and the Interdisciplinary Center for Neuroscience.
Alloftheaforementionedfosterinterdisciplinaryresearchactivities
acrossdisciplinesandareinstrumentalinjointfundingefforts.More-
over, the dCp runs the elite Graduate School Molecular Science,
whichisbasedontheinterdisciplinarycurriculumMolecularScienceas
a collaborative effort of Chemistry and Pharmacy.A second grad-
uate program run by the DCP through the Emil Fischer Center is
the Emil Fischer Graduate Programme of Pharmaceutical Sciences
& Molecular Medicine.Lastbutnotleast,theHelmholtz-InstitutEr-
langen-Nürnberg aswell as the Energie CampusNürnberg,which
bothareresearchplatformsforthedevelopmentandpresentationof
aclosedrenewableenergychain,contributetothestimulatingand
productiveresearchenvironment.
tEaChing profiLE
The Bachelor and Master programs Chemistry and Molecu-
lar Science are highly modularized, research-oriented (B.Sc.) and
research-focused (M.Sc.) curricula. Both the Pharmacy and Food
Chemistrydegreeprogramshavebeenexpandedinthelast5years
and continue to attract largenumbers of undergraduateswith top
schoolgrades.Universitywide,FoodChemistry,forexample,hasthe
thirdhighestlocalNumerusClausus.
IntheMasterprograms,whicharecompletelytaughtinEnglish,
atightinterplaybetweencontemporaryresearchandteachingleads
toahigh-class,moderneducationbasedonthescientificactivitiesof
theDepartment.Therefore,theaforementionedscientificfociarewell
reflectedinthemodulesoftheM.Sc.curricula.Additionally,thewide
spreadnatureoftheofferedsubjectsputthestudentsinaposition
toselectcoursesaccording to theirpersonal interest.The teaching
philosophy aims at the development of students intowell-rounded
scientistswhocantakeonleadershiprolesinindustry,academia,etc.
Inadditiontothescientificeducationthepersonnelprogressof
thestudents issupportedbyoffered languagecourseand theop-
portunitytostudypartsofallstudyprogramsabroad.Thequalityof
allstudyprogramsisensuredbyatightevaluationandsupervision
process.
intErnationaLization of rEsEarCh and tEaChing
InternationalityisakeycharacterofthedCp.Asteadilyincreasingnumberofforeignscholarsandexchangeprograms––fundedthrough
DAAD/RISE,SCS-IREU/DAAD,andERASMUS––areacleardocumen-
tation for the internationalization of undergraduate and graduate
studies. The latter is complemented by international doctoral and
post-doctoralstudents––fundedthroughDAAD,AlexandervonHum-
boldtFoundation,andEUprograms.Cooperationwith, forexample,
OsakaUniversityinJapanandtheUniversityofWollongonginAustra-
liaareinitiatedbyexcellenceinresearchandteachingandareoften
buildupbycommittedmembersof thedCp.They includefrequentexchangesofstudentsandresearchers.Since2004,thedCp has ap-
pointed5professorsfromtheUSA,UK,Canada,andtheNetherlands
and7outofthe11chairshaveaninternationalbackground.
d e p a r t m e n t o f c h e m i s t r y a n d p h a r m a c y
9Department of Chemistry anD pharmaCy
inorganiC ChEmistry
inorganic andorganometallic Chemistry
prof. dr. s. harderProf.Dr.N.Burzlaff
inorganic andgeneral Chemistryprof. dr. K. meyerProf.Dr.J.BachmannProf.Dr.R.Dorta
Bioinorganic Chemistryprof. dr.
i. ivanovic-Burmazovic
organiC ChEmistry
organic Chemistry iprof. dr. r. r. tykwinski
Prof.Dr.J.SchatzProf.Dr.S.Tsogoeva
organic Chemistry iiprof. dr. a. hirschProf.Dr.A.MokhirProf.Dr.W.BauerProf.Dr.N.Jux
physiCaL / thEorEtiCaL ChEmistry
physical Chemistry iprof. dr. d. m. guldiProf.Dr.C.KryschiProf.Dr.T.Drewello
physical Chemistry iiprof. dr. h.-p. steinrück
Prof.Dr.R.FinkProf.Dr.J.Libuda
theoretical Chemistryprof. dr. a. görlingProf.Dr.D.Zahn
pharmaCy andfood ChEmistry
medicinal Chemistryprof. dr. p. gmeinerProf.Dr.J.EichlerProf.Dr.M.Heinrich
food Chemistryprof. dr. m. pischetsrieder
Prof.Dr.A.Büttner
pharmaceuticsprof. dr. g. Lee
molecular and Clinicalpharmacy
prof. dr. K. friedland
intErdisCipLinary CEntErs
• EmilFischerCenter(EFC)• ErlangenCatalysisResourceCenter(ECRC)
• InstituteofAdvancedMaterialsandProcesses(ZMP)• InterdisciplinaryCenterforInterface-ControlledProcesses(ICICP)• ClusterofExcellence:EngineeringofAdvancedMaterials(EAM)
• CentreforScientificComputing(ZISC)
graduatE sChooLs
• EmilFischerGraduateProgramme• GraduateSchoolAdvancedMaterialsandProcesses
• GraduateSchoolMolecularScience
department of chemistry and pharmacy
ChEmistry
(B.Sc./M.Sc.)
moLECuLar sCiEnCEnano sCiEnCE / LifE sCiEnCE
(B.Sc./M.Sc.)
ChEmistrytEaChing dEgrEE
(StateExamination)
food ChEmistry
(StateExamination)
pharmaCy
(StateExamination)
degree programs
ComputEr ChEmistry CEntEr (CCC)
Techn.Director:Prof.Dr.T.Clark
didaCtiCs of ChEmistry
Prof.Dr.A.Kometz
intErdisCipLinary CEntEr for moLECuLar matEriaLs (iCmm)
Prof.Dr.F.GröhnProf.Dr.B.Meyer
d e p a r t m e n t o f c h e m i s t r y a n d p h a r m a c y
10 Profile 2014
P r o f e s s o r s
oBjECtivEs
• Furtherdevelopmentofafundamentalunderstanding
oforganometalliccompoundsandreactions
• Applicationoforganometallicchemistryinvariousfields
likecatalysis,polymerizationchemistry,enantioselective
conversions,luminescence,surfacescienceandsubjects
relatedtoasustainableenergyeconomy
• Masteringandteachingtheskillsofworkingwithhighly
air-sensitivecompoundsunderaninertatmosphereusing
Schlenktechniques
sCiEntifiC BaCKground
Ourgroupworksatthefrontiersoftheorganometallicchemistry
oftheearlymaingroupmetalswithaspecialfocusontheheavier
group2metals(Ca,Sr,Ba).Thiscornerintheperiodictablehasbeen
forgottenforalongtimebutitschemistryisnowstartingtodevelop
rapidly.Theworkwiththesehighlyreactive,andconsequentlyalso
veryair-sensitive,organometalliccompoundsisnotonlychallenging
butalsorequirestechniquesthatallowhandlingofthesecomplexes
underaninertatmosphere.Althoughwepartiallyworkingloveboxes,
wemaster and develop the original Schlenk techniques at a high
levelandbelievethatthisisthekeytodoingchemistrywithhighly
CurriCuLum vitaE
since 2012 UniversityFullProfessor,ChairofInorganicandOrganometallicChemistryattheUniversity
ofErlangen-Nürnberg,Germany
2009 – 2012 ChairofMolecularInorganicChemistryattheUniversityofGroningen,Netherlands
2004 – 2009 ProfessorofInorganicChemistryattheUniversityDuisburg-Essen,Germany
1998 – 2003 LecturerattheUniversityofKonstanz,Germany,andtheUniversityofCapeTown,SouthAfrica
1994 – 1998 HabilitationinInorganicandOrganometallicChemistryattheUniversityofKonstanz,Germany
1993 – 1994 Post-doc(Hans-HerbertBrintzinger)attheUniversityofKonstanz,Germany
1992 Post-doc(AndrewStreitwieser)attheUniversityofCaliforniaatBerkeley,USA
1991 Post-doc(PaulR.vonSchleyer)attheUniversityofErlangen-Nürnberg,Germany
1990 PhDinOrganicChemistryattheUniversityofUtrecht,Netherlands
chair of inorganic and organometallic chemistryprof. dr. sjoerd harder
[email protected] • www.chemie.fau.de/harder
11Department of Chemistry anD pharmaCy
P r o f e s s o r s
reactivecompounds.Thehighreactivityofourcomplexesisexploit-
ed incatalysis.Ourgeneralmotto“CheapMetals forNobleTasks”
has led to pioneering breakthroughs in the field of calcium-based
catalysis.Theseofferacheapalternativetotransitionmetalcatalysts
andarealsoattractiveforreasonsofbiocompatibility.Ourinterests,
however,aremuchbroaderandalsoventureintoareaslikelantha-
nidechemistryandearly(Ti,Zr)aswellaslate(Au,Cu,Zn)d-block
metalsor in thefieldofhighlyLewis-acidic latemaingroupmetal
chemistry(Al).
rEsEarCh highLights
We are among the pioneers using earlymain groupmetals in
catalysisanddevelopedforexamplemethodsfor thestrictlycon-
trolledcatalytichydrosilylationofalkenes,ahighlyatom-efficientkey
transformationfortheproductionofsiliconcompounds.Thecatalyst
in thisunique reaction isacalciumhydridespecies thatwecould
alsoisolateandstructurallycharacterize.Surprisingly,wecoulduse
thiscatalystalso in thehydrogenationofalkeneswithH2 and this
methodrepresentsafirstdemonstrationoftransitionmetal-freeal-
kenehydrogenationcatalysis.Otherhighlightsof our researchare
theisolationoffirstcalciumcarbenecomplexesoftheformCa=CR2
andourworkwith“superbulky”ligandsamongwhichCpBIG,alarge
penta-arylcyclopentadiene.The latter ligand is thekey toasetof
interesting lanthanidesandwichcomplexeswithanunusualstrong
luminescence. Our expertise in group 2 metal hydride chemistry
evolvedtothesynthesisof largermagnesiumhydrideclustersthat
representmodel systems for hydrogen storagematerials like bulk
MgH2.Especiallyrewardingaretheinvestigationsonmetalamidobo-
ranecomplexesforhydrogenstorage.
pErspECtivEs
We will continue to explore the organometallic chemistry of
heaviergroup2metalsbutalsostronglyfocusonMgandtheclosely
relatedZnchemistry.Webelievethattheapplicationofthesehighly
reactive complexes in a large variety of emerging fields could be
especiallyrewarding.Wecurrentlystarttoexploretheirredoxchem-
istry and use in Frustrated Lewis Pair chemistry but also actively
pursuetheuseanddevelopmentofnonheterocycliccarbeneligands
(NHC’s).Investigationsoftheirreactivitytowardssmallmoleculeswill
contribute tonewcatalyticprotocols.Thehighabundancyand low
pricesofthesesimplemetalsisthepartofthekeytoasustainable
society based on renewablematerials.Apart from that, our future
focus will further concentrate on energy-related research themes
andpolymerizationcatalysis.
sELECtEd puBLiCations
• S.Harder,J.Spielmann,J.Intemann,H.Bandmann,Angew. Chem. Int. Ed. Engl. 2011,50,4156–4160
• C.Ruspic,J.R.Moss,M.Schürmann,S.Harder, Angew. Chem. Int. Ed. Engl. 2008,47,2121–2126
• J.Spielmann,G.Jansen,H.Bandmann,S.Harder,Angew. Chem. Int. Ed. Engl. 2008,47,6290– 6295
• J.Spielmann,F.Buch,S.Harder,Angew. Chem. Int. Ed. Engl. 2008, 47,9434–9438
• F.Buch,J.Brettar,S.Harder,Angew. Chem. Int. Ed. Engl. 2006, 45,2741– 2745
• S.Harder,J.Brettar,Angew. Chem. Int. Ed. Engl. 2006,45,3474–3478• L.Orzechowski,G.Jansen,S.Harder,J. Am. Chem. Soc. 2006,
128,14676–14684
sELECtEd rEviEWs
• S.Harder,Molecularearlymaingroupmetalhydrides:syntheticchallenge,structuresandapplications,Chem. Comm. 2012,48,11165–11177
• S.Harder,Fromlimestonetocatalysis:Applicationofcalciumcompounds ashomogeneouscatalysts,Chem. Rev. 2010,110,3852–3876
sELECtEd aWards
• 1994EuropeanCommunity––MarieCurieFellowship
• 1993EuropeanCommunity––HumanCapital&MobilityFellowship
• 1992NATOFellowship
• 1991AlexandervonHumboldtFellowship
• 1990H.J.BackerPrizeoftheRoyalDutchSocietyofChemistry (OrganicChemistry)
chair of inorganic and organometallic chemistry
12 Profile 2014
P r o f e s s o r s
oBjECtivEs
Todesigninnovativeheteroscorpionate ligandsasatoolboxfor
metalloenzymemodels,organometallics,supramolecularchemistry,
andhybridmaterials.
sCiEntifiC BaCKground
In thepastdecadeproteinstructuresofseveral2-oxoglutarate
dependent ironoxygenaseshavebeenreportedbyvariousgroups.
Two iron binding histidines and one aspartate or glutamate––the
socalled2-His-1-carboxylatefacialtriad ––areconservedthrough-
outthewholefamilyofenzymes.ThisN,N,Obindingmotif,whichis
alsofoundinsomezincpeptidases,isthekeyresearchtargetofthe
Burzlaffgroup.Thus,tomimicthismotif isthetaskofmostofour
modelcomplexesfortheseironandzincdependentenzymes.Small
heteroscorpionateligandssuchask3-N,N,Ocoordinatingligandsare
applied for this purpose.These ligands can be tailoredwith bulky
substituentstomodifytheirstericalhindranceandwithlinkergroups
forsolidphasefixationorcopolymerization.Onefuturegoalofsuch
hybridmaterialsistodevelopartificialenzymese.g.,byapplyingim-
printedpolymertechniques.
rEsEarCh highLights
Bioinorganic model complexes of various bis(pyrazol-1-yl)ace-
tatoorbis(imidazol-2-yl)propionato ligandsmimic the2-His-1-car-
boxylatefacialtriadofmononuclearnon-hemeironoxygenases.With
ironandrutheniummodelsbearingsuchligandsourgrouptriesto
mimiccertainstepsinthecatalyticcycleoftheenzymes.Coordina-
tionofsubstratesorsubstrateanaloguesandinhibitorstothemodels
arealsoinvestigated.
Analogzinccomplexesarestructuralmodels for theactivesites
of gluzincins that are useful tools to develop and test new zinc
CurriCuLum vitaE
since 2004 UniversityProfessorofInorganicChemistryattheUniversity
ofErlangen-Nürnberg,Germany
1999 – 2004 HabilitationattheUniversityofKonstanz,Germany
1997 – 1999 PostdoctoralFellowattheDysonPerrinsLaboratory,Oxford,GreatBritain
1997 PhDfromtheUniversityofWürzburg,Germany
professor of inorganic chemistryprof. dr. nicolai Burzlaff
[email protected] • www.chemie.fau.de/burzlaff
13Department of Chemistry anD pharmaCy
P r o f e s s o r s
bindinggroups(ZBGs)toidentifynewleadstructuresforpeptidase
inhibitors.SeveralligandshavebeengraftedonMerrifieldresinsor
onsilica.Moreovercopolymersofseveralscorpionate ligandswith
MMA/EGDMAhavebeensynthesized.Ongoingworkfocusesonthe
generationofimprinted polymersbytemplatecomplexestogenerate
artificialenzymes.Furthermore,various1Dand2Dcoordinationpo-
lymersaswellasmetalorganicframeworks(MOFs)areaccessible
withtheheteroscorpionatesornewbidentateligands.
Theheteroscorpionate ligandsare alsoquite useful in organo-
metallics and coordination chemistry and allow a chemistry com-
parabletothatofcyclopentadienyl(Cp)orhydrido(trispyra-zol-1-yl)
boratoligands(Tp).Severaltransitionmetaloxo,carbonyl,carbene,
vinylidene,allenylidene,dinitrogen,hydridoandhydrogencomplexes
havebeensynthesizedsofar.
Recently,wefocusespeciallyoncarbon-richallenylidenecom-
plexesasanewconcepttomodifysemi-conductingorganicmateri-
als.
Newchiralenantiopuretripodligandsaredesignedfromcheap
compoundsof thechiralpool suchas (+)-camphoror (-)-mentho-
ne,whicharesuitablefortransitionmetalmediatedenantioselective
catalysis.
Finally,incooperationwiththeuniversityhospital,westudysmall
moleculesthatcontroltheerythropoetin(EPO)formationbystabiliz-
ationofthehypoxiainducibletranscriptionfactorHIF.
pErspECtivEs
Inthefuture,wewillintensifytheongoingprojectsbutwewould
alsoliketoextendoureffortsonfivenewtopics.
First,variationoftheamountofEGDMAcrosslinkerinMMA/EGD-
MA copolymers containing scorpionate ligands allows controlling
thecoordinationgeometryofthemetalcenter.Suchpolymersmight
haveself-healingpropertieseitherbyphotoinducedorheat-induced
bisligandmoietyformationandwillbetestedinthisregard.
Second,thesynthesisofone-dimensionalcoordinationpolymers
thatmightshowconductingorsemi-conductingproperties.
Third, thecation inducedselfassemblyof tri-and tetranuclear
manganesecomplexesthatmightestablisharoutetomodelsforthe
oxygenevolvingcenter(OEC)ofthephotosystemII(PSII).
Fouth,carbonrichmoleculessuchaspentaceneswillbemodi-
fied by organometallic cumulenylidene complex fragments to vary
theelectronicpropertiesofthesemi-conductingmaterials.
Finally,incooperationwiththeuniversityhospital,wewillsearch
fornewleadsthatcontroltheerythropoetin(EPO)formationbysta-
bilizationofthehypoxiainducibletranscriptionfactorHIF.Newinhi-
bitorswillbe identifiedbycoordinationstudieswith ferrousmodel
complexes,byinsilicodockingandbyinvitroandinvivobioassays.
Fluorescinginhibitorswillbedevelopedasatooltomonitortheup-
takeandkineticsofthispromisingnewclassofdrugs.
sELECtEd puBLiCations
• F.Strinitz,A.Waterloo,J.Tucher,E.Hübner,R.R.Tykwinski,N.Burzlaff, Eur. J. Inorg. Chem. 2013,5181– 5186
• S.Tampier,S.M.Bleifuß,M.M.Abd-Elzaher,J.Sutter,F.W.Heinemann, N.Burzlaff,Organometallic 2013,32,5935–5945
• G.Türkoglu,S.Tampier,F.Strinitz,F.W.Heinemann,E.Hübner,N.Burzlaff,Organometallics 2012,31,2166–2174
• Z.Wang,GunnarSchley,G.Türkoglu,N.Burzlaff,K.Amann,C.Willam, K.-U.Eckardt,W.M.Bernhardt,Nephrol.Dial. Transplant. 2012,27,929–936
• N.Fischer,M.S.Alam,I.Jum’h,M.Stocker,N.Fritsch,V.Dremov, F.W.Heinemann,N.Burzlaff,P.Müller,Chem. Eur. J. 2011,17,9293–9297
• T.Godau,A.L.Müller,S.M.Bleifuss,T.Roth,S.Hoffmann,F.W.Heinemann,N.Burzlaff,Dalton Trans. 2011,40,6547– 6554
sELECtEd rEviEWs
• N.Burzlaff,BiomimeticTrispyrazolylboratoIronComplexes,Angew. Chem. Int. Ed. 2009,31,5580-5582
• N.Burzlaff,ModelComplexesforZinc-ContainingEnzymes,in: H.-B.Kraatz,N.Metzler-Nolte,Concepts and Models in Bioinorganic Chemistry 2006,397– 431
14 Profile 2014
P r o f e s s o r s
oBjECtivEs
Generalobjectivesofourresearcharethesynthesesofnewche-
latingligandsandtheirreactivetransitionandactinidemetalcoor-
dinationcomplexes.Thesecomplexesoftenexhibit unprecedented
coordinationmodesandunusualelectronicstructures,whichresult
inenhanced reactivities towardssmallmoleculesof industrialand
biologicalrelevancesuchasH2,H2O,N2,CH4,CO,CO2,NOx,SOx,O2,
O3, P4,As4 etc.Whereas synthetic chemistry is at the heart of the
Meyergroupresearch,high-levelspectroscopyisappliedtohelpun-
derstandthemolecularandelectronicstructureaswellasthebasis
forreactivityofthenewlysynthesizedreactivemetalcomplexes.
sCiEntifiC BaCKground
Small molecules such as alkanes, carbon dioxide, and water
are attractive natural resources for the synthesis of fine chemi-
cals and fuels. This is particularly true for the greenhouse gases
CO2 and CH4. Functionalization of CH4 and CO2, however, is diffi-
cult due to their thermodynamic stabilities. One approach to cir-
cumvent this limitation is to coordinate the inert C1molecules to
aredox-activemetalion,whichcanserveasanelectronsourceto
reduce strong bonds. Based on the versatile reactivity of uranium
and transitionmetalcomplexes it isexpected thatnovelcomplex-
es are capable of unprecedented transformation of smallmolecu-
les; thus,openingopportunities foractivationand functionalization
ofchemicalfeedstock.
rEsEarCh highLights
TheMeyerresearchprogramisfocusedontheactivationofsmall
molecules of biological and industrial interest using redox-active
CurriCuLum vitaE
since 2006 UniversityFullProfessor,ChairofInorganicandGeneralChemistryattheUniversityofErlangen-Nürnberg,Germany
2001 – 2005 AssistantProfessorattheUniversityofCalifornia,SanDiego(UCSD),USA
1998 – 2000 PostdoctoralStudiesattheMassachusettsInstituteofTechnology(MIT),Cambridge,USA
1995 – 1998 PhD,MaxPlanckInstitute(MPI)forRadiationChemistry(nowMPIforChemicalEnergyConversion),
Mülheim /Ruhr,Germany
1989 – 1995 StudyofChemistryattheRuhr-UniversityofBochum(RUB),Germany;DiplomainChemistry
chair of inorganic and general chemistryprof. dr. Karsten meyer
[email protected] • www.chemie.fau.de/kmeyer
15Department of Chemistry anD pharmaCy
P r o f e s s o r s
uraniumandtransitionmetalcomplexes inmolecularlyengineered
ligandenvironments.Highlightsof thiswork include theactivation,
cleavage, andmultiple-bondmetathesis of carbon dioxide at ura-
niumcomplexesandthesynthesisofreactiveperoxo-,imido-,and
nitrido-complexes for the functionalization of organic molecules
via atomandgroup transfer chemistry.The series of actinide and
transitionmetalcomplexesareuniqueastheyareisostructuralwith
varyingoxidationstates,e.g.,Fe(I)toFe(V)andU(II)andU(VI),enab-
linga completeandsystematicanalysis of the structure-reactivity
relationships.Arecenthighlightistheidentificationofanew,previ-
ouslyunknownU(II)oxidationstate,openingnewavenuestouranium
reactivity.Theanalysisofcomplexserieswithstructuralcontinuity
throughtheoxidationstatespresentsadistinctbenefitfortheunder-
standingoffundamentaluraniumandtransitionmetalcoordination
chemistry.Topicssuchasthenatureoff-orbitalcovalencyinuranium
complexesandtheroleofelectronicstructureincoordinationcom-
plexreactivityareundercontinuousinvestigationandhavebecome
trademarkareasofresearch.
pErspECtivEs
Ultimatelong-termobjectivesofthefundamentalsyntheticrese-
archintheMeyerlabarethedevelopmentofefficientcatalystsfor
themetalcomplexassistedconversionofabundantnaturalsubstrate
resourcesandthediscoveryofrenewableenergysources.
Futureresearchwillthereforecontinuetofocusontheadvance-
mentofnovelactinideandtransitionmetaltransformationsinvolving
simplechemicalfeedstock,suchascarbondioxide,nitrogen,and
waterthatarethekeytosustainableenergyresources.
sELECtEd puBLiCations
• A.-C.Schmidt,F.W.Heinemann,W.W.LukensJr.andK.Meyer, J. Am. Chem. Soc. 2014,136,11980 –11993
• F.Scholz,D.Himmel,F.W.Heinemann,P.v.R.Schleyer,K.Meyerand I.Krossing,Science 2013,341,62 – 64
• J.J.Scepaniak,C.S.Vogel,M.M.Khusniyarov,F.W.Heinemann,K.MeyerandJ.M.Smith,Science 2011,331,1049 –1052
• S.C.Bart,C.Anthon,F.W.Heinemann,E.Bill,N.M.EdelsteinandK.Meyer,J. Am. Chem. Soc. 2008,130,12536 – 12546
• C.Vogel,F.W.Heinemann,J.Sutter,C.AnthonandK.Meyer, Angew. Chem. Int. Ed. 2008,47,2681– 2684
• I.Castro-Rodríguez,H.Nakai,K.Meyer,Angew. Chem. Int. Ed. 2006, 45,2389 – 2392
• I.Castro-Rodríguez,H.Nakai,L.N.Zakharov,A.L.Rheingold,K.Meyer,Science 2004,305,1757 –1759
sELECtEd rEviEWs
• H.S.LaPierreandK.Meyer,ActivationofSmallMoleculesbyMolecularUraniumComplexes,Progress Inorganic Chemistry 2014,58,303 – 415
• J.Hohenberger,K.RayandK.Meyer,TheBiologyandChemistryof High-ValentIronOxoandNitridoComplexes,Nature Commun. 2012, 51,781– 783
• S.C.BartandK.Meyer,HighlightsinUraniumCoordinationChemistry, Structure & Bonding 2008,127,119 –176• A.R.Fox,S.C.Bart,K.MeyerandC.C.Cummins,TowardsUranium Catalysts,Nature 2008,455,341–349• C.Hauser,K.Meyer,UranchemiezwischenPhobieundBegeisterung,
Nachr. Chem. 2007,55,1195 –1199• I.Castro-Rodríguez,K.Meyer,SmallMoleculeActivationatUranium
CoordinationComplexes:ControlofReactivityviaMolecularArchitecture, Chem. Commun. 2006,1353 –1368
sELECtEd aWards
• 2012VisitingProfessorshipAward,UniversitéPaulSabatier,Toulouse,France• 2012VisitingProfessorshipAward,UniversityofManchester, UK(2009– 2012)
• 2011FellowoftheRoyalSocietyofChemistry
• 2010DaltonTransactionsEuropean/AfricanLectureshipAward• 2010JapaneseSocietyforthePromotionofScience(JSPS)Fellowship• 2009IsraelChemicalSocietyLifetimeHonoraryMembership• 2004/2005AlfredP.SloanAward
16 Profile 2014
P r o f e s s o r s
oBjECtivEs
Theoverarchingthemeofourresearchisthesystematicinvesti-
gationofstructure-propertyrelationshipsinnanostructuredinorganic
materials.Toachievethisgoal,wedevelopinnovativepreparative
methodsdesignedforengineeringorderedarraysofelongatedstruc-
tures,thegeometryofwhichisaccuratelytunable,andthesurface
chemistryofwhichcanbedefinedatwill.Wethenquantifyhowthe
performanceindicatorsofthematerialdependonthegeometricpa-
rametersofthestructures.Wepayparticularattentiontotheinter-
playoftransportandinterfacephenomenainvarioustypesofenergy
conversiondevices,suchastheelectrodesoffuelcells,electrolyzers,
andbatteries,aswellassolarcells.Wealsoaimatcontrollingdata
storageinadequatelyshapedmagneticelements.
sCiEntifiC BaCKground
Researchinnanostructuredmaterialshaslongbeenjustifiedby
thesize-andshape-dependentvariationofpropertiesexpected,and
observed, in confined systems.Their applications inmodern solar
cells,varioustypesofelectrodes,andmagneticdatastoragemedia
mostly relyon their largespecificsurfacearea.Colloidalsynthesis
hasbeenmostinstrumentaltowardsfundamentaladvancesandin
applied devices, but is limited to disordered, suspended particles.
Incontrast to this, inourgroupwestart frombulksolidpiecesof
macroscopic size, then we treat them in order to generate large
amountsofparallelstructuresorderedonasurfaceorinamatrix.We
payparticularattentiontothegeneralityofourpreparativemethods,
andtheaccuratetunabilityofthegeometry.
Julien Bachmann’s dual background inmolecular coordination
andredoxchemistry,ontheonehand,andinthechemicalandphys-
CurriCuLum vitaE
since 2012 ProfessorofInorganicChemistryattheUniversityofErlangen-Nürnberg
2009 – 2012 JuniorProfessorofChemicalPhysics(PhysicsandChemistryDepartments)attheUniversityofHamburg,Germany
2007 – 2009 ScientistattheInstituteofAppliedPhysicsoftheUniversityofHamburg
2006 – 2007 PostdoctoralFellowattheMaxPlanckInstituteofMicrostructurePhysicsinHalle,Germany
2006 PhDinInorganicChemistryfromtheMassachusettsInstituteofTechnology,USA
2001 ChemistryDiplomafromtheUniversityofLausanne,Switzerland
professor of inorganic chemistryprof. julien Bachmann phd
[email protected] • www.chemie.fau.de/bachmann
17Department of Chemistry anD pharmaCy
P r o f e s s o r s
ical preparative and characterizationmethods of solids and inter-
faces,ontheotherhand,isperfectlysuitedtoaddressingthechal-
lengesofthishighlyinterdisciplinaryfieldofresearch.
rEsEarCh highLights
Weuseelectrochemicalmethods(‚anodization‘)togeneratehe-
xagonallyarrangedarraysofparallel,cylindricalpores,thelengthof
which can be set to any value between 0.5 µmand 100 µmand
thediameterbetween10 nmand300 nm.We introducediameter
modulations,ifneeded,atarbitrarilydefinedpointsalongthepores‘
length. Subsequently,weuse galvanic techniques to either fill the
porescompletelywithsolidmetallicwires,ortogrowhollowmetal
tubesalongtheporewalls.Thesemetallicstructuresmayconsistof
onepuremetal,ofalloys,orevenofalternatingsegmentswithdiffe-
rentcomposition.Analternativeisprovidedbyatomiclayerdeposi-
tion(ALD),athinfilmdepositiontechniquethatexploitswell-defined
surfacechemistrytoenabletheconformalcoatingofourdeeppores
with thin layersofoxidesandsulfides.Oneorseveralconsecutive
ALDlayerscanbeapplied,thethicknessesofwhichwesetbetween
1 nmand20 nmtypically.Oursamplesandreactionsarecharacter-
izedbyelectronmicroscopy,spectroscopicellipsometry,piezoelectric
microbalance,varioussteady-stateanddynamicelectrical,electro-
chemical, and photoelectrochemicalmethods, impedance spectro-
scopy,andmagnetometry.
Inthemagneticrealm,segmentedstructuresenableustodefine
alargenumberof‘bits’alongthelengthofeachobject.Theshape
andlengthofeachsegment,aswellasthedistancesbetweenthe
segments,definethemagnetizationorientation,theswitchingfield,
andtheinteractionsbetweenbits.In‘extremelythinabsorber’(ETA)
solar cells,wefind an optimal thickness for the intrinsic light-ab-
sorbing layer which balances the requirements of sufficient light
absorptionandefficientchargecarriercollection.Formanyelectro-
chemicalfuelcellreactionsatnoblemetalsurfaces,weincreasethe
currentdensitybyelongatingtheelectrode’sporeswhileminimizing
thecatalystloadingviaverythincoatings.Wealsoexperimentwith
ironoxideasacost-efficientsurfacefortheoxygenevolutionreaction,
wherebywecompensateforthematerial‘spoorintrinsiccatalytic
activitybyincreasingitssurfacearea.
pErspECtivEs
Thegeneralityofourmethodswillenableustocombinematerials
inamodularmannertocreateelectrochemicallyandphotoelectro-
chemicallyoptimizedsystems, inwhichseveral functionalmaterials
(such as electron conductor, light absorber, and water oxidation
catalyst)arecombinedinacoaxialgeometryonthesub-micrometer
scale.Inparallel,wewillalsopayrenewedattentiontothemolecular
aspectofmultielectronreactivityatsolidsurfaces,inordertobetter
understandtheinterfacialcatalysisaspectsofourwork.Thephysi-
cal-chemicalinsightgainedfromourgeometricallycontrolledmodel
systemswillfinallybeexploitedtowardstheconstructionofenergy
conversiondevicesbasedonabundantelementsandcost-efficient
materials.
sELECtEd puBLiCations
• V.Roscher,M.Licklederer,J.Schumacher,G.ReyesRios,B.Hoffmann, S.Christiansen,J.Bachmann,Dalton Trans. 2014,43,4345– 4350
• T.Grünzel,Y.J.Lee,K.Kueppel,J.Bachmann,Beilstein J. Nanotechnol. 2013,4,655– 664
• H.Wedemeyer,J.Michels,R.Chmielowski,S.Bourdais,M.Sugiura, G.Dennler,J.Bachmann,Energy Environ. Sci. 2013,6,67–71
• J.Gemmer,Y.Hinrichsen,A.Abel,J.Bachmann, J. Catal. 2012,290, 220 –224
sELECtEd aWards
• 2013StartingGrant,ClusterofExcellence‘EngineeringofAdvanced Materials’,Erlangen
• 2009 –2012Sixteachingprizes,UniversityofHamburgPhysicsDepartment(fourtimesfirstprize,twicesecondprize)
• 2006HumboldtResearchFellowship,AlexandervonHumboldtFoundation
• 2002AwardforExcellenceinTeachingbyaGraduateStudent, MITChemistryDepartment
• 2001PresidentialFellowship,MIT
18 Profile 2014
P r o f e s s o r s
oBjECtivEs
Our research efforts are directed towards the design of novel
chiral organometallic transition metal complexes, which serve as
catalysts for the asymmetric synthesis of optically active organic
molecules.Thedevelopmentofalternativesynthetic tools,suchas
functionalionicliquidsisalsopartofourobjectives.
sCiEntifiC BaCKground
Chiralmoleculesareubiquitous innatureandbiochemicalpro-
cesses.Theenantiomersofabiologicallyactivechiralmoleculemay
elicitverydistinctresponsesinlivingorganisms.Manyactivepharma-
ceuticalingredientsarechiralmolecules,whichnowadaysaremostly
commercialized in their non-racemic forms, due also to regulatory
constraints.However,thesynthesisofenantiomericallypuremolecules
iscostly,andindeedtheaddedvalueofsuchproductsisveryhigh.
Annualsingle-enantiomerdrugsalesworldwideareestimatedtobe
worthwellover200billionEuros.Therefore,thedevelopmentofnew
enantioselectivesyntheticmethodologieshashighpriority.Amongst
them,asymmetriccatalysis representsamostelegantapproach,a
factthatwashighlightedbythe2001chemistryNobelPrize.Theidea
behindasymmetriccatalysis isthatthespatial informationresiding
onachiralcatalystcomplexbetransmittedasefficientlyaspossible
ontothesubstratemolecules.Ideally,everychiralcatalystmolecule
wouldbeabletogeneratethousandsorevenmillionsofproductmol-
eculesofadefinedchirality,therebyactingasachiralmultiplier.This
technologycanbesuperiortotheclassicseparationofracematesor
otherstoichiometricenantioselectivemethods.
CurriCuLum vitaE
since 2013 ProfessorofInorganicChemistryattheUniversityofErlangen-Nürnberg,Germany
2002 – 2013 FullProfessorofInorganicChemistryattheUniversidadSimónBolívar,Caracas,Venezuela
2000 – 2002 ResearchfellowattheInstitutoVenezolanodeInvestigacionesCientíficas,Venezuela
1998 – 2000 PostdoctoralfellowattheWeizmannInstituteofScience,Rehovot,Israel
1993 – 1998 PhD,ETHZürich,Switzerland
1988 – 1993 StudiesofchemistryattheUniversitédeLausanne,Switzerland,andtheUniversità
degliStudidiParma,Italy
professor of inorganic chemistry prof. dr. romano dorta
[email protected] • www.chemie.fau.de/dorta
19Department of Chemistry anD pharmaCy
P r o f e s s o r s
rEsEarCh highLights
The design of new chiral ligand systems is the first andmost
challengingsteptowardthesynthesisofreactive,opticallypureme-
talcomplexesthataretobeusedascatalystsforasymmetricorganic
transformations.Sometimeago,wecameupwithachiralP-alkene
ligandarchitecturethatprovedtobesyntheticallyflexibleenoughto
createasmallligandlibrary,whichallowedustosynthesizeaseries
ofreactivechiralmetalcomplexes.Noteworthyaretheopticallypure
complexes possessing stereogenic metal centers in stereochemical-
lystabletetrahedralandtrigonalbipyramidalcoordinationgeomet-
ries.Theirprecisemolecularstructuresandabsoluteconfigurations
wereauthenticatedbyX-raycrystallography.Infact,complexeswith
stereogenic metal centers represent worthwhile synthetic targets
becausetheyappeartoplayakeyroleinsomeofthemostsuccess-
fulasymmetriccatalyticprocessesknown.Furthermore,ourP-alkene
ligandsexhibit hemilabile behavior thanks to aweakly coordina-
tingalkene function.Hemilability isoperational invariouscatalytic
reactionsbutstructuralproofthereofisscarce.Suchligandsystems
protectreactivemetalcentresfromprematuredecompositionwith-
outaffectingtheirinherentreactivity.Thisisevidencedbyourhemi-
labileNi(0)-P-alkenecomplexes thatareperfectlyair stable in the
solidstate,butonceinsolutionreadilyactivatesmallmolecules,thus
maintainingthehighreactivitytypicalofelectronrichNi(0)species
butdoingawaywiththeircharacteristicair-sensitivity.Asmolecular
catalystsweonlyemploywell-definedorganometallic speciesand
avoidin-situformedcatalystmixtures.Examplesareourchiralcationic
mononuclearRh-P-alkenecomplexesthatcatalyzetheformationof
certainC–Cbondswithalmostperfectenantioselection(>99%ee).
The focus on structural organometallic chemistry is also aimedat
elucidatingandmodeling industrially relevantcatalyticsystems, in
ordertogetabetterunderstandingoftheinterplaybetweenligands,
metalcenters,substrate,andproductmolecules.Finally, functional
ionic liquids represent promising new synthetic tools for stoichio-
metricandcatalytic transformations.Forexample, transitionmetal
saltsthatareliquidatroomtemperaturemaybeusedasbiphasic,
self-supportedcatalystsforoxygenatomtransferreactions.
pErspECtivEs
WearecurrentlydevelopingnovelchiralP-andS-basedligand
systems, synthesizing highly reactive chiral complexes of the less
nobleandlessexpensivetransitionmetals,andexploringtheirrich
organometallic chemistry, ranging from activations of smallmole-
cules and specific bonds, to new catalytic reactivities. Catalysis
development in our group is centered on the atom-economical,
enantioselective formation of C–H, C–C, C–N, and C–O bonds. On
theotherhand,highlyreactivefunctionalionicliquidsarealsobeing
investigatedasnewsynthetictools.
sELECtEd puBLiCations
• J.Pastrán,G.Agrifoglio,T.González,A.Briceño,R.Dorta,Tetrahedron: Asymmetry 2014, 25,1280–1285
• A.Linden,L.Llovera,J.Herrera,R.Dorta,G.Agrifoglio,R.Dorta, Organometallics 2012,31,6162–6171
• E.Drinkel,A.Briceño,R.Dorta,R.Dorta,Organometallics 2010, 29,2503 – 2514
• R.Mariz,A.Briceño,R.Dorta,R.Dorta,Organometallics 2008, 27,6605 – 6612
• G.Noguera,J.Mostany,G.Agrifoglio,R.Dorta,Adv. Synth. Catal. 2005, 347,231–234
sELECtEd rEviEWs
• R.Dorta,Iridium-CatalyzedHydroamination,in:Iridium Complexes in Organic Synthesis,L.Oro,C.ClaverEditors,Wiley-VCH,Weinheim,2008
20 Profile 2014
P r o f e s s o r s
oBjECtivEs
ThegeneralgoalofourChairforBioinorganicChemistryiselu-
cidation of themetal-tuned redox processes of biological and ca-
talyticrelevanceat themolecular level. Inafocus is theactivation
ofsmallmolecules(superoxideradicalanion(O2-),nitricoxide(NO),
peroxynitrite(ONOO-),hydrogensulphide(H2S))byredox-activeme-
tal complexes,whichcanhavephysiological or pathophysiological
consequencesinbiologicalsystems,butatthesametimecanfind
applicationinbioinspiredcatalysisandbiotechnology.Westudyre-
actionmechanismstounderstandelementaryreactionstepsofcom-
plexbioinorganicprocesses involvedinredoxsignalinganddesign
efficientenzymemimetics,metalbasedhumanpharmaceuticalsand
chemicalcatalysts.Theapproachistorationallydesignbio/catalyti-
cally-activemetal complexeswith desirable physiological/catalytic
effectsbasedonunderstandingoftheirkinetic,thermodynamic,re-
doxandmechanisticbehavior,pavingthewayforimprovementsin
humanhealthandtheenergyconversion.
sCiEntifiC BaCKground
Synthesesofredox-activetransitionmetalcomplexesofdifferent
coordinationgeometryandtheirversatilesolution/reactionbehavior
arethegeneral interestsofourresearchgroup.Weexploreawide
range of intermolecular interactions in solutions (multiple proton-
coupled electron transfer processes, weak secondary interactions
andhost-guestchemistryinsolution,interactionswithsolventmo-
lecules,solventexchangeprocesses,stabilizationofreactivesuper-
oxideviaelectrostatic interactionin ionicliquids)andreactionme-
CurriCuLum vitaE
since 2008 UniversityFullProfessor,ChairofBioinorganicChemistryattheUniversityofErlangen-Nürnberg,Germany
2008 OfferforaprofessorshipofBioinorganicChemistryattheUniversityofTexasatArlington,USA
2008 HabilitationinInorganicChemistryattheUniversityofErlangen-Nürnberg,Germany
2001 – 2003 AlexandervonHumboldtPostdoctoralFellowattheUniversityofErlangen-Nürnberg,Germany
2000 – 2003 AssistantProfessorofGeneralandInorganicChemistryattheUniversityofBelgrade,Serbia
1996 – 2000 ResearchandTeachingAssistantofInorganicChemistryattheUniversityofBelgrade,Serbia
1999 DScFacultyofChemistry,UniversityofBelgrade,Serbia
chair of Bioinorganic chemistryprof. dr. iVana iVanoVic-BurmazoVic
[email protected] • www.chemie.fau.de/ivanovic-burmazovic
21Department of Chemistry anD pharmaCy
P r o f e s s o r s
chanismsinordertopredictapotentialapplicationofmetalbased
structuresandtunetheirdesirableactivity.Weapplyawiderange
of instrumentationmethods in our research: time-resolved UV/vis
low-temperature(downto-90°C)andhigh-pressurestopped-flow
measurements,high-pressurefluorescencestopped-flowmeasure-
ments, high-pressureNMRmeasurements, temperature and pres-
suredependentelectrochemicalmeasurements,cryotime-resolved
preparativespectroelectrochemistry,time-resolvedsolutionIR,high-
resolution tandemmass spectrometrywith nano- and cryo-spray
ionization.
rEsEarCh highLights
• Newinsightsintothesuperoxidedismutation(SOD)mechanisms
• WaterexchangeonMn(III)
• HNOgenerationbyseven-coordinateSODmimetics
• 100yearsoldquestion,whynitriteactsasanantidotefor
hydrogensulfide,isnowsolved:heme-catalyzedreaction
betweenNO2- and H2SgeneratesHNOinmitochondria
• InteractionbetweenH2SandNa2[Fe(CN)5NO]asanew
pharmacologicalsourceofHNO
• HSNOasanewsignalling(shuttle)molecule
• DirectinteractionbetweenH2SandNO
• HomogeneousandheterogeneouscatalyticremovalofH2S
• MechanismoffastCO2fixationbyNi-OHspecies
• Confinedspacereversesthehigh-pressurebehaviorofan
iron-center,relevantforoperationofheme-proteinsindeep-sea
organismsandareversespin-crossovereffect
pErspECtivEs
Our long-termgoals is todevelopanemergingfieldofMedici-
nalRedoxInorganicChemistryatagloballevelandtoincreasethe
impactof(bio)inorganicchemistryresearchonhealthcare.Ouref-
fortsaredirectedtoconceivethebasicchemicalprocessesbehind
the pharmacological treatment of oxidative and nitrosative stress,
whicharegeneratorsofagingandpathophysiologicalprocesses.In
a time ahead of uswe see utilization of redox-activemetal com-
plexesinregulationofthecellsredoxstatus,activationof immune
systemmechanismandaspharmaceuticalsfortreatingthedisease
statesrelatedtoimmunodeficiency,inflammation/infectionandneu-
ropathology.With thesamegoalweworkon theeffectsofH2S in
triggeringbeneficialphysiologicalmechanisms in thecellswithan
extreme redox status.Thus, development of new compounds that
willatthesametimeactasSODmimics,H2Sand/orNO- donors as
potentialpharmaceuticalsischallengingforus.Wewillalsoapplyour
knowledgeontuningtheredoxreactionsbypressureforclarifying
andincreasingtheefficiencyofprotoncoupledelectrontransferin-
volvedintheenergyconversionprocesses.
sELECtEd puBLiCations
• O.Troeppner,R.Lippert,T.E.Shubina,A.Zahl,N.Jux,I.Ivanović-Burmazović,Angew. Chem. Int. Ed. 2014,DOI:10.1002/anie.201406954
• J.Lj.Miljković,I.Kenkel,I.Ivanović-Burmazović,M.R.Filipovic,Angew. Chem., Int. Ed. 2013,52,12061–12064
• M.R.Filipovic,M.Eberhardt,V.Prokopovic,A.Mijuskovic,Z.Orescanin- Dusic,P.Reeh,I.Ivanović-Burmazović,J. Med. Chem. 2013,56,1499–1508
• I.Ivanović-Burmazović,M.Filipović,PCT Int. Appl. 2012,WO2012175630A1 20121227
• M.R.Filipović,J.Miljković,T.Nauser,M.Royzen,K.Klos,T.E.Shubina, W.H.Koppenol,S.J.Lippard,I.Ivanovic-Burmazović,J. Am. Chem. Soc. 2012,134,12016–12027
• D.Lieb,A.Zahl,T.E.Shubina,I.Ivanovic-Burmazovic,J. Am. Chem. Soc. 2010,132,7282–7284
• M.R.Filipović,K.Duerr,M.Mojović,V.Simeunović,R.Zimmermann, V.Niketić,I.Ivanović-Burmazović,Angew. Chem. Int. Ed. 2008, 47,8735–8739
sELECtEd rEviEWs
• I.Ivanović-Burmazović,M.R.Filipović,Adv. Inorg. Chem. 2012,64,53– 95
22 Profile 2014
P r o f e s s o r s
oBjECtivEs
• Todevelopnewsyntheticmethodsfortheoptimizedformation
ofconjugatedorganicmolecules,oligomers,andpolymers
withdiversestructures.
• Tounderstandthesubtleinterconnectionsbetweenmolecular
structureandtheelectronicandopticalpropertiesthatthese
materialsdisplay.
• Tointegrateourstudyofmoleculeswiththegoalsofphysicists
andengineerstowardthedevelopmentoftechnologicallyuseful
materialsanddevices.
sCiEntifiC BaCKground
Overthepastdecadeorso,organicmaterialshavebecomeone
ofthemostpromisingavenuestowardtherealizationofanewgen-
erationofinexpensive,lightweight,andefficientopticalandelectronic
devices.Therealizationofsuchmaterialsrequiresacombinationof
efficientsyntheticmethodsandafundamentalunderstandingofmol-
ecularproperties.Ourworkinthisareatypicallybeginswiththede-
signofanewclassoforganicmoleculesthatmightsolveaparticular
probleminmolecularelectronics.Insomecasesthisproblemmight
concerndeviceoperation, suchasconductivity or solid-statemol-
ecularorder.Inotherinstances,however,itcanbeamorepractical
issuesuchasincreasingsolubilityorstability.Ineithercase,wethen
useoursyntheticstrengthstoformspecificmembersofthisclass,
oftendevelopingnewmethodologyalongtheway.Finally,ouratten-
tionturnstowardtheexplorationofmolecularandmaterialsproperties
asafunctionofstructure.Whileweoftendomuchofthismolecular
characterizationwithinourownlaboratory,manyofthemostexciting
CurriCuLum vitaE
since 2009 UniversityFullProfessor,ChairofOrganicChemistryIattheUniversityofErlangen-Nürnberg,Germany
2005 – 2009 ProfessorofChemistry,DepartmentofChemistry,UniversityofAlberta,Edmonton,Canada
2002 – 2005 AssociateProfessorofChemistry,DepartmentofChemistry,UniversityofAlberta,Edmonton,Canada
1997 – 2002 AssistantProfessorofChemistry,DepartmentofChemistry,UniversityofAlberta,Edmonton,Canada
1996 – 1997 PostdoctoralFellow,SwissFederalInstituteofTechnology(ETH),Zürich,Switzerland
1994 – 1996 U.S.ONRPDFSwissFederalInstituteofTechnology(ETH),Zürich,Switzerland
1989 – 1994 PhDOrganicChemistry,UniversityofUtah,SaltLakeCity,Utah,USA
chair of organic chemistry iprof. riK tyKwinsKi phd
[email protected] • www.chemie.fau.de/tykwinski
23Department of Chemistry anD pharmaCy
P r o f e s s o r s
resultscomethroughclosecollaborationswithphysicists,engineers,
andmaterialsscientistswhoshareourgoals.
highLights
Usingastructure-functionapproachtomolecularmaterials,our
major discoveries have come through the synthesis of conjugated
molecules,oligomers,andpolymersbasedonacetylenicscaffolding.
Withintheseriesofcarbonallotropesbeginningwithdiamondand
graphite(sp3-andsp2-carbon,respectively),ourstudyof(sp-carbon)
providestheforemostinsightintothequestforthefinalmemberof
thisprogression,carbyne.Forexample,wehaverecentlysynthesized
thelongestknownpolyynes,constructed,withupto44consecutive
sp-hybridizedcarbons.Ourstudiesofpolyynesalsorevealsomeofthe
potentialpropertiesofcarbyne,including:1)Thefirstcrystallographic
studyofreducedbondlengthalternationthatconfirmsPeierlsdistor-
tioninthesemolecules,2)Thefirstexperimentalproofthatpolyynes
arenotlinearinsolution,asmightbeexpected,butrathertheyare
bent,and3)Confirmationthatpolyynesareamongstthemostefficient
organicNLOmaterials. In addition tomolecules composed almost
completelyofacetylenicbuildingblocks,wehaveworkedextensi-
velyinthesynthesisofconjugatedmacrocycleswithuniquestruc-
turesandproperties,includingporoussolidsandchiralhostsystems.
Finally,oureffortstoformneworganicsemiconductorshaveprovi-
dedsynthetic routes tomanynewpentacenederivatives, someof
whichshowunprecedentedsemiconductingproperties.
pErspECtivEs
OneofourprimarygoalsistoextendNature’sdiversitybeyond
the knowncarbon allotropes, e.g., fullerenes, nanotubes, graphite,
anddiamond.Thisisaccomplishedviatherationalsynthesisofnew
1-and2-dimensionalcarbonmolecules(e.g.,carbyneandgraphy-
ne).Weareintriguedbythefactthatpolyynesandcumulenescan
serveasanideal,1-Dmolecularwiresasaresultoftheirlinear,con-
jugatedstructures.Currentsyntheticmethodsarenotlikelysuitable
forpolyynesandcumuleneslongerthanthosecurrentlyknown,and
innovative routes towardencapsulationof theconjugatedskeleton
area challenginggoal, as aremethods toward incorporatingend-
groupstoallowpolyynesandcumulenestoserveasmolecularwires.
Thefutureofmanyaspectsofmolecularelectronicsrequiresthe
designanddiscoveryofnewclassesofmoleculeswith,forexample,
enhancedsolid-stateorderandmoreeffectiveinter-molecularcom-
municationviapi-stacking.Tomeetthesedemands,weareexploring
modularanddivergentsynthetic routes tonewpolycyclicaromatic
hydrocarbons(PAHs).Forexample,PAHs(acenes)containingstra-
tegicallyplacedheteroatomsofferawealthofpossibilities,andthese
systemscanbeoptimizedforintegrationintodevicessuchasorganic
fieldeffecttransistors.Alternatively,wetargetsegmentsofgraphyne,
a2-Dcarbonmaterialarrivedatvia the formal insertionofalkyne
segmentsintotheframeworkofgraphene.Similartofullerenesand
nanotubes,onefascinatingaspectofgraphyneistheabilitytoform
curvedall-carbonsurfaceswithuniqueproperties.
sELECtEd puBLiCations
• E.T.Chernick,G.Börzsönyi,C.Steiner,M.Ammon,S.Gessner, S.Frühbeisser,F.Gröhn,S.Maier,R.R.Tykwinski,Angew. Chem. Int. Ed. 2014,53,310–314
• J.A.Januszewski,D.Wendinger,C.Methfessel,F.Hampel,R.R.Tykwinski,Angew. Chem. Int. Ed. 2013, 52,1817–1821
• W.A.Chalifoux,R.R.Tykwinski,Nature Chem. 2010, 2,967– 971• M.Gholami,F.Melin,R.McDonald,M.J.Ferguson,L.Echegoyen,
R.R.Tykwinski,Angew. Chem. Int. Ed. 2007,46,9081– 9085• S.Eisler,A.D.Slepkov,E.Elliott,T.Luu,R.McDonald,F.A.Hegmann,
R.R.Tykwinski,J. Am. Chem. Soc. 2005,127,2666 – 2676• K.Campbell,C.A.JohnsonII,R.McDonald,M.J.Ferguson,
M.M.Haley,R.R.Tykwinski,Angew. Chem. Int. Ed. 2004,43, 5967– 5971
sELECtEd rEviEWs
• J.A.Januszewski,R.R.Tykwinski,Chem. Soc. Rev. 2014,43,3184–3203• M.Gholami,R.R.Tykwinski,OligomericandPolymericSystemswitha
Cross-conjugatedπ-Framework,Chem. Rev. 2006,106,4997 – 5027• A.L.K.ShiShun,R.R.Tykwinski,SynthesisofNaturallyOccurringPolyynes,
Angew. Chem. Int. Ed. 2006,45,1034 –1057
sELECtEd aWards
• 2013Inductee,UniversityofMinnesota-DuluthAcademyofScienceandEngineering
• 2004FacultyofScienceResearchPrize,UniversityofAlberta
• 2001PetroCanadaYoungInnovatorAward
24 Profile 2014
P r o f e s s o r s
oBjECtivEs
Touse(pure)waterasanalternativemediumfororganicandsu-
pramolecularchemistry.Here,wewanttodesignmolecularsystems
basedonweak(supramolecular)interactionsandtoexploitsuchar-
raysforcatalysis,biologicalapplicationsorassensors.
sCiEntifiC BaCKground
Organic Chemistry is usually performed in its corresponding
environment––organic solvents. However, the interest in environ-
mentally friendly (“green”)andsustainableprocesseshas recently
increaseddramatically.
Here,ourgeneralinterestinorganicchemistry,whichusespure
waterasasolvent,canhelptodevelopmethodologieswhichallow
organictransformationsinaqueousmedia.Wefocusontheuseof
water-soluble macrocycles, e.g., calixarenes, cyclodextrins, cyclo-
phanes,orcucurbiturils,toadjustthesolubilityofbothreagentsand
catalystsbysupramolecular,non-covalentinteractions.However,on
thewaytocatalysisusingself-assembled,non-covalentlylinkedca-
talysts inwater,many fundamental scientificproblemshave tobe
tackled: The supramolecular interactions between all components
havetobeelucidatedbothstructurallyandquantitatively.Therefore,
we study thehost-guest chemistry of artificial receptormolecules
withcations,anions,orneutralmoleculesasguests.
Supramolecular interactionsarealsotheunderlyingthemeofa
secondresearchtopic:Theuseofcalixarene-basedgadoliniumcom-
plexesforapplicationsinmagneticresonanceimaging(MRI).
rEsEarCh highLights
Overthelastyearswedevelopedmethodstoperformstandard
organometallic reactions in purewater. For example, Suzuki cross
CurriCuLum vitaE
since 2007 UniversityProfessorofOrganicChemistryattheUniversityofErlangen-Nürnberg,Germany
2007 Lecturer,DepartmentofChemistryandPharmacy,Ludwig-Maximilians-UniversitätMünchen(LMU),München,Germany
2002 – 2007 Privatdozent,UniversityofUlm,Germany
1995 – 2002 Habilitation,UniversityofUlm,Germany
1994 – 1995 PostdoctoralFellow,DepartmentofChemistry,ImperialCollege,London,UK
1994 PhDinOrganicChemistryattheUniversityofRegensburg,Germany
professor of organic chemistryprof. dr. jürgen schatz
[email protected] • www.chemie.fau.de/schatz
25Department of Chemistry anD pharmaCy
P r o f e s s o r s
sELECtEd puBLiCations
• J.Tomasek,J.Schatz,Green Chem. 2013,15,2317–2338• J.Schatz,M.Seßler,Chem. Unsere Zeit 2012,46,48–59• K.Tenbrink,M.Seßler,J.Schatz,H.Gröger,Adv. Synth. Catal. 2011,353,
2363–2367
• D.T.Schühle,P.vanRijn,S.Laurent,L.VanderElst,R.N.Muller, M.C.A.Stuart,J.Schatz,J.A.Peters,Chem. Commun. 2010, 46,4399 – 4401
• T.Fahlbusch,M.Frank,G.Maas,J.Schatz,Organometallics 2009, 28,6183 – 6193
• Th.Bredgen,T.Fahlbusch,M.Frank,D.T.Schühle,M.Seßler,J.Schatz, Adv. Synth. Catal. 2009, 351,303 –307
• M.Rehm,M.Frank,J.Schatz,Tetrahedron Lett. 2009, 50,93 – 96
sELECtEd rEviEWs
• I.Hoffmann,J.Schatz,ThiopheneMetallationandCross-CouplingChemistry,Top. Heterocycl. Chem. 2014,39,DOI:10.1007/7081_2014_127
• J.Schatz,D.Schühle,SupramolecularMetalComplexesforImaging andRadiotherapy,Supramolecuar Systems in Biomedical Fields 2013, 10,300–330
• D.T.Schühle,J.A.Peters,J.Schatz,MetalBindingCalixareneswith PotentialBiomimeticandBiomedicalApplications,Coord. Chem. Rev. 2011, 255,2727–2745
• J.Schatz,M.Seßler,ProductClass10-12:Thiophenes,Thiophene1, 1-Dioxides,andThiophene1-oxides,Selenophenes,andTellurophenes,in:Science of Synthesis(Houben-WeylMethodsofMolecularTransformations),ThiemeVerlag,Stuttgart,NewYork, 2010
• J.Schatz,Abinitiocalculationsonsupramolecularsystems,Encycl. Supramol. Chem. 2006, 1– 8
• J.Schatz,RecentApplicationofabinitioCalculationsonCalixarenesandCalixareneComplexes,Coll. Czech. Chem. Commun. 2004, 69,1169 –1194
sELECtEd aWards
• 2008 –2013TeachingAwards,UniversityofErlangen-Nürnberg, MedicalSchool
• 2002LehrbonusUniversityofUlm(TeachingAward)
• 1994E.ONBayern–KulturpreisOstbayern(PhDAward)
couplingaswellasGrubbs-typemetathesis reactionscannowbe
realizedinpureaqueoussolution.Thedesign,syntheses,andoptimi-
sationofwater-solublemacrocycles,whichcanbeusedasadditives
inthesereactions,provedtobedecisive.Especially,imidazoliumsalt
basedsystemswereverysuccessful.Thisclassofcompoundscan
alsoactasprecursorsforN-heterocycliccarbenes(NHCs)whichare
ligandsforbothPalladiumandRutheniumusedinSuzukicouplings
andGrubbsmetathesisreactions,respectively.Inthisway,bothsolu-
bilityandcatalysiscouldbeaddressedusingthesametypeofcom-
pounds.
Imidazoliumsaltswerealsoextremelyuseful intherecognition
ofsmallinorganicandorganicanions.Recently,wesucceededinde-
velopinganaked-eyedetectionofsmallamountsoffluoride,acetate
orbenzoateusingacalixarene-basedanionreceptormolecule.
InthesupramolecularchemistryofcationsGadolinium-azacrown-
ether-calixarenehybridsweresynthesizedwhichexhibitanoutstand-
ingperformanceinMRIapplications.
pErspECtivEs
In future,wewant topursue threemainareasof research:or-
ganometalliccatalysisinwater,anionrecognitionespeciallyinpolar
environment,andnovelMRIcontrastagents.
Inthefirstarea,wewanttodevelopefficient,tailor-madecata-
lysts for applications in aqueous solution asmedium.Additionally,
weareworkingonthecombinationofvariousmethodsavailablein
the“catalysts tool box”.Multi-step, one-pot procedures exploiting
transitionmetal-,organo-andbiocatalysis––disciplineswellrepre-
sentedhereinErlangen–– arehereanappealingtarget.Thequestfor
“naked-eye”receptorswhichdetectanionswithhighefficiencyand
selectivityinpurewaterasanenvironmentcanberegardedasaholy
grailinsupramolecularchemistry.Wewanttoaddressthechallenge
using organic cations as molecular platforms for anion receptors
becausethesebuildingblocksprovidebothcolour,necessaryforthe
opticalread-out,andincreasedbindingstrength.Chiraldiscrimina-
tioninnon-covalentrecognitionprocesseswillalsobeanattractive
issue for further research.Third,wewill incorporateMRI contrast
agentsinbiologicalstructuressuchasliposomes,vesicles,ormem-
branes.
26 Profile 2014
P r o f e s s o r s
oBjECtivEs
Thedevelopment,application,andteachingofmodernsynthetic
methods in asymmetric catalytic synthesis andchiral resolution is
acentralgoalinourgroup.Computationsandexperimentareoften
bothemployedtoaddressspecificproblemsandinthesameproject.
State-of-the-artanalyticaltechniquesandskillsareusedtocarryout
experiments,notablyfordesignandevaluationofchiralorganocata-
lystsandmetal-catalysts.Interdisciplinaryandinternationalcollabo-
rationsroundoffourprofile,wherebothsidesmutuallyprofitfrom
thesynergyoftheexpertisesexistingindifferentresearchgroups.
sCiEntifiC BaCKground
Manybioactivecompoundsarechiralandthereisanever-grow-
ingdemandincontemporarypharmaceuticsormaterialsciencefor
compoundswithhighenantiopurity,e.g.,forsingleenantiomerchiral
drugsandtheirprecursors.Stereochemistrythereforeaimsatintro-
ducingchiralcentersofdefinedabsoluteconfigurationatdesiredpo-
sitionsintomoleculesandwithhighconversionratesfromprochiral
reactants.Hence,there isacontinuedneedtodesignmoreactive,
moreversatileandmoreenantioselectivecatalysts. Inaddition,we
endeavourtofindsuccessfulnewsyntheticmethodsand/orcatalytic
systemsinenantioselectiveorganocatalysis,aimingathighthrough-
put,highenantioselectivityanddiastereoselectivity,awidesubstrate
orreactionscopeanduseofenvironmentallybenignsolvents(e.g.,
water).Toachievethisgoal,computationalmethodologiesandtools
areemployedtopredictenantioselectivitiesor forfindingclues for
improvedcatalystleadstructures.Novelorganicprocesstechniques
arebeingdevelopedinourlab,accessingautocatalysisandcrystal
engineering.Afurtherareaofresearchinterestisthedesignofsyn-
thetichybridsofnaturalbioactivecompoundswithpotentialappli-
cability inmedicinal chemistry. Further, non-heme iron complexes
CurriCuLum vitaE
since 2007 UniversityProfessorofOrganicChemistryattheUniversityofErlangen-Nürnberg,Germany
2002 – 2007 JuniorprofessorattheInstituteofOrganicandBiomolecularChemistry,UniversityofGöttingen,Germany
2000 – 2002 PostdoctoralResearchFellowattheFineChemicalsDivisionofDegussaAG,Hanau-Wolfgang,Germany
1998 – 2000 PostdoctoralResearchFellowattheJohannWolfgangGoetheUniversity,FrankfurtamMain,Germany
1995 – 1998 PhDattheSt.-PetersburgStateUniversity,St.-Petersburg,Russia
professor of organic chemistryprof. dr. sVetlana B. tsogoeVa
[email protected] • www.chemie.fau.de/tsogoeva
27Department of Chemistry anD pharmaCy
P r o f e s s o r s
with peptide-based ligands are employed in asymmetric oxidation
reactions.
rEsEarCh highLights
Research inourgroup iscenteredaroundAsymmetric Organo-
catalysis, Chiral Autocatalysis; Asymmetric Oxidations with Redox-
Active Metal Complexes and Natural Product Hybrids for Medicinal
Chemistry.
In theflourishingresearchareaofAsymmetric Organocatalysis
wefocusedearlyonthedesign,synthesisandapplicationofnovel
chiral bifunctional organocatalystsfordifferentorganictransforma-
tions.Wefoundandappliedthefirstprimaryaminecontainingun-
modified dipeptides and thiourea-amine organocatalysts for highly
enantioselectiveC-Cbond formation reactions (e.g., nitro-Michael,
Mannich, aldol reactions). We discovered lately the first organo-
autocatalytic reactions.Combiningthenovelconceptofproductcata-
lysiswith that of asymmetric amplification,we first demonstrated
spontaneousenantioenrichmentinfullyorganicreactions.
Recentlyweextendedthespectrumofourresearchtoredox-ac-
tive non-heme iron complexesasmimicsofnon-hemeironenzyme
and their potential synthetic application in asymmetric oxidation re-
actions,andusinghydrogenperoxideasanenvironmentallyfriendly
oxidant.
Medicinal chemistryinvolvestheidentification,synthesisandde-
velopmentofpromisingnewcompoundssuitablefortherapeuticuse.
Italsoincludesthestudyofexistingdrugs,theirbiologicalproperties,
and their structure activity relationships.Hybridization of bioactive
natural and unnatural compounds rates among the most promising
recentapproachesinthisfield.Ourinterestfocusesonthedevelop-
mentofnewleadstructuresandthedesignofpromisingcandidates
forpotentdrugsinthefieldofmedicinalchemistry.
pErspECtivEs
Thefutureofasymmetriccatalysisandofthetechnologiesused
in generation of enantiomerically pure compounds in the industry
mightlookratherdifferentfromwhatweknowtoday.Thediscovery
oforganoautocatalysisisevidencethatseeminglyalreadywell-un-
derstoodorganicreactionsmightpossessmuchmorecomplicated
mechanismsthanhithertobelieved.Touncovertheexactnatureof
stereoselective reactionscouldoffernewopportunities forcatalyst
designandprocessdevelopmentincatalyticasymmetricsynthesis,
e.g., inmoreefficient reactions thataremoreatom-economicalor
whichproducelesswaste.Inthiscontext,one-potmulticomponent
reactionsinwhichdifferentcatalyticstepsproceedsuccessivelyand
without theneedof intermittentproductextraction,catalyst retrie-
valandpurificationstepsplaysapromisingrole for the futurede-
velopmentofasymmetricsynthesis.Theexploitationofnovelchiral
resolution techniques like crystal engineering in combinationwith
conventional asymmetric synthesis has a high potential for future
optimizations to attain high-throughput and efficient production of
singleenantiomercompounds,whichhaveatremendouseconomic
potential.
sELECtEd puBLiCations
• C.Reiter,S.López-Molina,B.Schmid,C.Neiss,A.Görling,S.B.Tsogoeva,ChemCatChem 2014,6,1324–1332
• O.V.Serdyuk,A.Zamfir,F.Hampel,S.B.Tsogoeva,Adv. Synth. Catal. 2012, 354,3115–3121
• S.B.Tsogoeva,S.-W.Wei,M.Freund,M.Mauksch,Angew. Chem. Int. Ed. 2009,48,590 – 594,Angew. Chem. 2009, 121,598 – 602.
• D.A.Yalalov,S.B.Tsogoeva,T.E.Shubina,I.M.Martynova,T.Clark, Angew. Chem. Int. Ed. 2008, 47,6624 – 6628;Angew. Chem. 2008, 120,6726 – 6730
• C.Baudequin,A.Zamfir,S.B.Tsogoeva,Chem. Commun. 2008, 4637 – 4639
• M.Mauksch,S.B.Tsogoeva,I.M.Martynova,S.-W.Wei,Angew. Chem. Int. Ed. 2007, 46,393 –396,Angew. Chem. 2007,119,397– 400
• S.B.Tsogoeva,S.-W.Wei,Chem. Commun. 2006,1451–1453
sELECtEd rEviEWs
• S.B.Tsogoeva,Whenchiralproductandcatalystarethesame:discovery ofasymmetricorganoautocatalysis,Chem. Commun. 2010,46,7662–7669
• S.B.Tsogoeva,RecentProgressintheDevelopmentofSyntheticHybrids ofNaturalorUnnaturalBioactiveCompoundsforMedicinalChemistry, Mini Rev. Med. Chem. 2010,10(9),773 –793
• S.B.Tsogoeva,RecentAdvancesinAsymmetricOrganocatalytic1, 4-ConjugateAdditions,Eur. J. Org. Chem. 2007, 1701–1716
• S.B.Tsogoeva,ShortPeptidesandPeptide-LikeEnzymeMimics– EfficientOrganicCatalystsinAsymmetricSynthesis,Lett. Org. Chem. 2005,2,208 –213
sELECtEd aWards
• 2012Otto-RöhmResearchAward
• 2008Tetrahedron:Asymmetry“MostCitedPaper2005 –2008Award”
• 2007ThiemeJournal-Preis
28 Profile 2014
P r o f e s s o r s
oBjECtivEs and sCiEntfiC BaCKground
Hirsch’slaboratoryhasbeenpioneeringandisattheforefrontof
carbonallotropechemistryandiswell-knownfortheinvestigations
ofbasicprinciplesforthefunctionalizationofthe0-dimensionalful-
lerenes,the1-dimensionalcarbonnanotubesandthe2-dimensional
graphene,whichleadtosynthesisofnumerousexamplesofderiva-
tiveswithtailor-madestructural,electronic,photophysicalandbio-
medicalproperties.AndreasHirsch’sworkinsyntheticorganicchem-
istryincludessynthesisofoligoynes,developmentofnewcovalent,
ionicandH-bondeddendrimers,porpyrines,calixarenes,perylenes
andredox-activeionicliquids.
rEsEarCh highLights
TheresearchoftheHirschgroupischaracterizedbyitsuncom-
promising commitment to interdisciplinarity. Among the most import-
antachievementsare:controlovertheregiochemistryofmultiplead-
ditionreactions,theshapedependentdifferenceofendohedraland
exohedral functionalization, the 2(n+1)2-rule for the description of
sphericalaromaticityoffullerenes,whichisnamedasHirschrule,the
introductionofwatersolubility into thesecarbon richsystemsand
thefirstp-typedopingofcarbonnanotubes,thesynthesisofself-as-
sembled dendrimers, the generation of shape persistent micelles
andswitchableBuckysomes,thesynthesisandinvestigationofwell
definedmonodispersepolyelectrolytes, theretrofunctionalizationof
carbon nanotubes and finally the first systematic investigation on
thecovalentandnon-covalentfunctionalizationofgraphene.Numer-
CurriCuLum vitaE
since 1995 UniversityFullProfessor,ChairofOrganicChemistryIIattheUniversity
ofErlangen-Nürnberg,Germany
1995 ProfessorforOrganicChemistryattheUniversityofKarlsruhe,Germany
1991 – 1995 HabilitationattheInstituteofOrganicChemistry,UniversityofTübingen,Germany
1990 – 1991 PostdoctoralresearchwithProf.FredWudlattheInstituteforPolymersand
OrganicSolids,SantaBarbara,USA
1987 – 1990 PhDinOrganicChemistryattheUniversityofTübingen,Germany
chair of organic chemistry iiprof. dr. andreas hirsch
[email protected] • www.chemie.fau.de/hirsch
29Department of Chemistry anD pharmaCy
P r o f e s s o r s
ousexamplesoffullerene,nanotubeandgraphenederivativeswith
tailor-made properties such as a) donor-acceptor hybrids suitable
toundergophotoinducedenergyandelectrontransfer,b)synthetic
mimics for globular hemeproteins, c) dendrizymes, d) heteroful-
lerenes,e)clusteropened fullerenes, f) the largestpolyelectrolytes
withcompletelydefinedandmonodispersestructures,g)nanotube
basedcarriersforgenedelivery,h)giantbis-fullerenedipoles,i)the
firstexampleoffullereneamphiphilesthataggregatecompletelyin
shapepersistentmicelles,whosestructurecouldbedeterminedwith
molecularprecisionandj)watersolublefullerenederivativesthatact
asverypotentsuperoxidedismutasemodelsinthefieldofbiomedi-
calchemistry.ThePI’sworkinsyntheticchemistryincludessynthesis
ofacetyleniccompoundssuchaspolyynesandstabilizedoligoynes
whichareofinterestinapproachinganewhypotheticalallotropeof
carbon,theone-dimensionalcarbinesp-C∞.
pErspECtivEs
The systematic investigation of the carbon allotrope chemistry
and the development of new concepts in supramolecular chemis-
trywillpavethewaytohighperformanceapplicationsasmolecular
materials. Examples are printable electronics, organic photovoltaic
devices,redox-activeaspotentneuro-protectivedrugs.
sELECtEd puBLiCations
• R.A.Schäfer,J.M.Englert,P.Wehrfritz,W.Bauer,F.Hauke,T.Seyller, A.Hirsch,Angew. Chem. Int. Ed. 2013,52,754 –757
• R.Neubauer,F.W.Heinemann,F.Hampel,Y.Rubin,A.Hirsch,Angew. Chem. Int. Ed. 2012,51,11722– 11726
• J.M.Englert,C.Dotzer,G.Yang,M.Schmid,C.Papp,M.J.Gottfried, H.-P.Steinrück,E.Spiecker,F.Hauke,A.Hirsch,Nature Chemistry 2011, 3,279–286
• J.Gnichwitz,R.Marczak,F.Werner,N.Lang,N.Jux,D.M.Guldi,W.Peukert,A.Hirsch;J. Am. Chem. Soc. 2010,132,17910 – 17920
• C.Ehli,C.Oelsner,D.M.Guldi,A.Mateo-Alonso,M.Prato, C.D.Schmidt,C.Backes,F.Hauke,A.Hirsch,Nature Chemistry 2009, 1,243 –249
• B.Schade,K.Ludwig,C.Böttcher,U.Hartnagel,A.Hirsch,Angew. Chem. Int. Ed. 2007,46,4393 – 4396
sELECtEd rEviEWs
• S.Eigler,A.Hirsch,ChemistrywithGrapheneandGrapheneOxide– ChallengesforSyntheticChemists,Angew. Chem. Int. Ed. 2014, 52,7720 –7738
• A.Hirsch,Theeraofcarbonallotropes,Nature Materials 2010,9,868– 871• A.Hirsch,FunctionalizationofSingle-wallCarbonNanotubes,
Angew. Chem. Int. Ed. 2002, 41,1853 –1859• M.Bühl,A.Hirsch,SphericalAromaticityofFullerenes,Chem. Rev. 2001,
101,1153 –1183
sELECtEd aWards
• 2009ERCAdvancedGrant
• 2006Elhuyar-Goldschmidt-Prize
30 Profile 2014
P r o f e s s o r s
oBjECtivEs
Tocontrolbiochemicalprocessesand tomonitorconcentration
andlocalizationofbiomolecules(nucleicacidsandproteins) inlive
cellsbyusingreagentsbasedonchemicalcatalysts.
sCiEntifiC BaCKground
Thegroup is involved in synthesis of organic and coordination
compoundsaswellasbioconjugatesofoligonucleotideswithchem-
ical fragments including fluorescent dyes, reactive substrates and
catalyticmoieties.Theactivityofthesesubstancesistestedinvitro
usingNMR,UV-visible,fluorescencespectroscopy,chromatography
(HPLC,TLCandothers)andmassspectrometry(ESI,MALDI-TOF)as
wellasincellcultures.
rEsEarCh highLights
We develop nucleic acid controlled photocatalysts based on
naturalandsemi-synthetictetrapyrrolesandtheiranalogues.Weuse
thesecatalyststodesigncatalyticandautocatalyticreactions,which
areappliedfortheamplifieddetectionofnucleicacidsinlivingcells.
Theultimategoalofthisprojectistodeveloparobustassayforde-
tectionofasinglecopyofaparticularnucleicacidpercell(Figure 1).
Thesamephotocatalystsareusedtodesign“caged”reagents(e.g.,
oligonucleotides,siRNAs),whosebiologicalactivity(antisense,RNAi
or immunostimulatory activity) is controlled by non-toxic red light
(Figure 2).
Finally, wework on discovery of ferrocene-based prodrugs. In
the cancer cell––specificmicroenvironment these compounds are
convertedinthequickautocatalyticreactionintohighlytoxicspecies,
whichkillcancercellsselectively.Inthemicroenvironmentofnormal
cellsthesemetallodrugsarestableandnottoxic(Figure 3).
CurriCuLum vitaE
since 2013 ProfessorofOrganicChemistryattheUniversityofErlangen-Nürnberg,Germany
2011 – 2012 AssociateProfessorforBioinorganicChemistry,Ruprecht-Karls-UniversitätHeidelberg,Germany
2010 HabilitationattheRuprecht-Karls-UniversitätHeidelberg,Germany
1997 PhD,KievShevchenkoUniversity,Ukraine
professor of organic chemistryprof. dr. andriy moKhir
[email protected] • www.chemie.fau.de/mokhir
31Department of Chemistry anD pharmaCy
P r o f e s s o r s
pErspECtivEs
Ourlongtermgoalsincludedevelopmentof(a)sideeffect-free
anticancerdrugsand(b)membrane-permeablereagentsforrobust
andhighlysensitivedetectionofbiomolecules in livecellsand for
regulationoftheirbiologicalactivity.
sELECtEd rEviEWs
• A.Mokhir,Chemicalreactionscontrolledbynucleicacids,in:DNA in Supramolecular Chemistry and Nanotechnology,JohnWiley&Sons,Ltd,Eds.E.StulzandG.H.Clever,2014
• R.Krämer,A.Mokhir,A.MetalComplexDerivativesofPeptideNucleicAcids,in: Interplay between Metal Ions and Nucleic Acids,Vol.10ofseriesMetal Ions in Life Sciences,A.Sigel,H.Sigel,R.K.O.Sigel,Eds.;SpringerScience+BusinessMediaB.V.,Dordrecht,2012
sELECtEd aWards
• 2005selectedintheEmmyNoether–ProgrammeoftheDeutsche Forschungsgemeinschaft(DFG)
• 2011selectedinthePerspectivesProgramme“PLUS3”forindependentyounggroupleadersandendowedprofessorshipsofBoehringerIngelheimStiftung
sELECtEd puBLiCations
• A.Meyer,A.Mokhir,Angew. Chem. 2014, accepted
• P.Marzenell,H.Hagen,L.Sellner,T.Zenz,R.Grinyte,V.Pavlov,S.Daum, A.Mokhir,J. Med. Chem. 2013,56,6935– 6944
• D.Arian,L.Kovbasyuk,A.Mokhir,J. Am. Chem. Soc.2011,133, 3972 – 3980
• D.Arian,E.Cló,K.V.Gothelf,A.Mokhir,Chem. Eur. J. 2010,16,288–295• A.Rotaru,A.Mokhir, Angew. Chem. 2007,119,6293– 6296• J.Kovács,T.Rödler,A.Mokhir,Angew. Chem. 2006, 118,7979– 7981
Figure1
Figure3
Figure2
32 Profile 2014
P r o f e s s o r s
oBjECtivEs
NMRisoneofthemostversatilemethodsinstructuralanalysis
of organic compounds, indispensible in chemistry research. In the
ErlangenOrganicChemistrydivision,a500MHzspectrometeristhe
instrumentofchoice forundertakingNMRstudieswhicharemore
thanroutine.Here,applicationsaredonewhichinvolvebothownre-
searchaswellassophisticatedanalysesforresearchgroupsinside
andoutsidethebuilding.Internationalcooperationsopenupnewin-
sights intounusualstructuresofvariousclassesofcompoundsby
simultaneousdevelopmentofadequatenewpulsesequences.
sCiEntifiC BaCKground
The nuclear Overhauser effect (NOE) exploits spatial relation-
shipsofnucleibasedoncross relaxation.Bothhomonuclear (e.g.,1H,1H-NOESY)andheteronuclear (e.g., 1H,31P;HOESY)variantsmay
beapplied.Inherently,theNOEisrelatedtotheinverse6thpowerof
theinternucleardistances.Thus,theNOEoffersapowerfultoolfor
structuralanalysisof,e.g.,proteinsororganolithiums.
Diffusionorderedspectroscopy(DOSY) isahighlyvaluable tool
for exploiting diffusion constants of unknown compounds. Thus,
sizesofmoleculesmaybedeterminedandtheaggregationbehaviour
ofe.g.,organolithiumsmaybestudiedinsolution.Alongwithother
analyticalmethods(X-ray,solidstateNMR)similaritiesanddifferen-
ces in solution and in the solid state give interesting insights into
organolithiumstructures.
CurriCuLum vitaE
since 2006 AkademischerDirektorattheOrganicChemistrydivision,UniversityofErlangen-Nürnberg,Germany
since 2003 Apl.ProfessorattheOrganicChemistrydivision,UniversityofErlangen-Nürnberg,Germany
1995 – 2003 PrivatdozentattheOrganicChemistrydivision,UniversityofErlangen-Nürnberg,Germany
1994 HabilitationinOrganicChemistry,UniversityofErlangen-Nürnberg,Germany
since 1984 DirectoroftheNMRSectionoftheOrganicChemistrydivision,UniversityofErlangen-Nürnberg,Germany
1983 – 1984 PostdoctoralFellowattheETHZürich(Prof.Seebach),Switzerland
1982 PhDinOrganicChemistryattheUniversityofRegensburg(Prof.Daub),Germany
apl. professor of organic chemistryprof. dr. walter Bauer
[email protected] • www.chemie.fau.de/bauer
33Department of Chemistry anD pharmaCy
P r o f e s s o r s
sELECtEd puBLiCations
• R.W.Saalfrank,H.Maid,A.Scheurer,R.Puchta,W.Bauer,Eur. J. Inorg. Chem. 2010, 2903 –2906
• R.W.Saalfrank,N.Mooren,A.Scheurer,H.Maid,F.W.Heinemann, F.Hampel,W.Bauer,Eur. J. Inorg. Chem. 2007,4815 –4822
• R.W.Saalfrank,C.Deutscher,H.Maid,A.M.Ako,S.Sperner, T.Nakajima,W.Bauer,F.Hampel,B.A.Heß,N.J.R.vanEikemaHommes, R.Puchta,F.W.Heinemann,Chemistry Eur. J. 2004,10,1899 –1905
• J.Betz,W.Bauer,J. Am. Chem. Soc. 2002,124,8699 – 8706• H.Maid,F.W.Heinemann,A.Scheurer,N.Mooren,R.W.Saalfrankand
W.Bauer,Helv. Chim. Acta 2012,95,2429–2445• C.Gaul,P.I.Arvidsson,W.Bauer,D.Seebach,Chemistry Eur. J. 2001, 7,4117 – 4125
sELECtEd rEviEWs
• W.Bauer,NMRofOrganolithiumCompounds:GeneralAspectsandAppli-cationofTwo-DimensionalHeteronuclearOverhauserEffectSpectroscopy(HOESY),in:A.-M.Sapse,P.v.R.Schleyer(Eds.), Lithium Chemistry: A Theoretical and Experimental Overview 1995,125f
• W.Bauer,P.v.R.Schleyer,RecentResultsinNMRSpectroscopyof OrganolithiumCompounds,in:V.Snieckus(Ed.),Advances in Carbanion
Chemistry 1992,vol.1,JaiPress,Greenwich(Connecticut),89
sELECtEd aWards
• 1983Dissertationprize,UniversityofRegensburg,Germany
rEsEarCh highLights
NOEmethodsbasedonpulsedfieldgradientsandongradient
echoes (“excitation sculpting”) have become popular in recent
years (DPFGSE-NOE). However, the well-known problem of “NOE
zero-crossing”forwtc=1.12stillpersistsforDPFGSE-NOE.Wehave
describedtheapplicationof therotatingframeanalogue,DPFGSE-
ROEforsuchcases.ByusingDPFGSE-ROE,alldirectNOEsareposi-
tive,irrespectiveofthemolecularcorrelationtime.
WehaveappliedDPFGSE-ROEtoavarietyoforganolithiums,ca-
lixareneinclusioncompoundsandother“normal”organicmolecules.
ThoughDPFGSE-ROEisinherentlylesssensitivethanitsanaloguein
thelaboratoryframe(DPFGSE-NOE), intheregimeoftheNOEzero
crossingvaluableinsightshavebeengained.Typically,forsmallmo-
lecules thiscondition ismetat low temperatureswithaccordingly
long correlation times.Here, the rotating framevariant is the only
methodfortheassignmentofspatialrelationships. Inmanycases,
low temperaturesmustbemaintained inorder toavoiddecompo-
sitionoforganolithiumsortoslowdowndynamicprocesseswithin
thesecompounds.Forexample,DPFGSE-ROEhasbeensuccessfully
appliedfortheassignmentofdiastereotopicprotons,oneofwhichis
selectivelymetalatedbytreatmentwithn-butyllithium.
SolidstateNMRisthelinkbetweenX-raystructureanalysisand
solution state NMR. For cyclopentadienyl lithium (CpLi), a mono-
mer-sandwichdimer equilibriumhasbeenestablished inTHF sol-
ution.However,wewereabletoshowbyNMRthatCpLiisanendless
polymerinthesolidstate.Theseresultshavebeenconfirmedbysi-
mulationsoftherelevantcarbonandlithiumsolidstateNMRspectra,
aswellasbytheoreticalcalculations.
pErspECtivEs
Oneofthecurrentresearchprojectsisbasedonacontinuationof
thechemistryofretiredProf.RolfW.Saalfrank.ManyX-raystructures
havebeendetermined inSaalfrank’s group, involvingmultinuclear
clusterswithvariousmetals.Insolution,manyofthesecompounds
exhibithighlyinterestingdynamicphenomena.NMRistheidealtool
for the study of these processes. Thus, in combination with solid
stateNMR,the“static”crystalstructuresmaybelinkedtostructures
in solution. First results have revealed very interesting exchange
processes of cesium ions inside and outside a cluster. Moreover,
exchangebetweencontactionpairedcesiumandcesiuminsolvent
separatedionpairsareobserved.Byusing133Cs,1H-HOESY,anas-
signmentofthe133Cssignalshasbeenachievedforthefirsttime.It
isplannedtofurtherextendourheteronuclearNMRstudiesonthe133Csisotope.Anumberofpapersrelatedtothischemistryarelisted
below.Fig.1summarizesthefindingsobtainedby133Cs,133Cs-EXSY
forthedepictedmolecule.
34 Profile 2014
P r o f e s s o r s
oBjECtivEs
To synthesize and characterize novel porphyrins and porphyri-
noids,developsynthetictoolsfortheirefficientfunctionalization;to
exploretheirpotentialasa)componentsforsolarenergyconversion
devices,b)asmodelsystemsforhemeenzymestogaininsightinto
mechanisms of dioxygen activation and processing, c) as photo-
sensitizers in elaboratemodular carrier systems forphotodynamic
therapyoftumorsandphotodynamicinactivationofbacteria,fungi,
molds,etc.,d)ascentralpartsofporphyrin-containingcarbon-rich
moleculesandsuperstructures.
sCiEntifiC BaCKground
Porphyrinsareubiquitousdyesinnaturewhichgovernthemost
important transformations in living organism––making them aptly
named“pigmentsoflife”.
Their inherentphotophysical,photochemical,andredoxproper-
tiesarelikelyresponsiblefortheirextensiveappearanceinNature.
In photosynthesis, porphyrins act as light harvesters in stunningly
complex arrays, as electron donors in the reaction center and as
electron transporting cofactors. In the respiratory chain, these co-
factors play indispensable roles as dioxygen carriers, repositories
apl. professor of organic chemistry prof. dr. norBert jux
[email protected] • www.chemie.fau.de/jux
CurriCuLum vitaE
since 2013 apl.Professor,OrganicChemistryattheUniversityofErlangen-Nürnberg,Germany
2007 AssistantProfessor(PD),OrganicChemistryattheUniversity
ofErlangen-Nürnberg,Germany
2006 HabilitationinOrganicChemistryattheUniversityofErlangen-Nürnberg
(Prof.A.Hirsch),Germany
1997 – 2006 ResearchGroupleaderinOrganicChemistry,
UniversityofErlangen-Nürnberg,Germany
1995 – 1996 PostdoctoralFellow,DepartmentofChemistry&Biochemistry,
UniversityofCalifornia,LosAngeles(Prof.Y.Rubin),USA
1994 PhD(Dr.rernat.)UniversityofCologne(Prof.E.Vogel),Germany
1990 DiplomaDegreeinChemistry,UniversityofCologne,Germany
35Department of Chemistry anD pharmaCy
P r o f e s s o r s
andactivators,thelatteressentiallydeliveringthe“energyoflife”in
cytochromecoxidase.Itisnotsurprisingthathugeeffortsaremade
tobetterunderstandthesevitalprocesses,becausethismayleadto
improvedartificialsolarenergyconversionintermsoflight––energy
––gatheringandwatersplitting.Ashemeenzymescatalyzeveryim-
portant oxidations in nature, they are also in the focus of intense
pharmaceuticalresearch.EvenwithoutlookingatNature,porphyrins
arefascinatingmoleculesbythemselves.Theyareabletoformcom-
plexeswith allmetal ions, some half and even non-metals, often
withseveraloxidationstatesavailableandstronglyvaryingcoordi-
nation geometries. Porphyrins act as sensitizer for singlet oxygen,
thusareable togeneratehighly reactivespecies fromdioxygen in
thepresenceof light.Thisprocess,althoughdetrimental inNature,
isusedinthephotodynamictherapyoftumors(PDT)aswellasthe
photodynamicinactivationofgerms.Thehighlypolarizableπ-elec-
tronsystemofporphyrins, theirability toeithertake-uporgive-up
twoelectrons inoften reversiblemanneroffersahighpotential in
molecularelectronics.
rEsEarCh highLights
Ourresearch isaimedat thesynthesisandfunctionalizationof
porphyrins. Having the amazing properties of natural systems in
mind,wepreparemodelcompoundsfor,forexample,enzymes,light
harvesters,andreactioncenterswithorganicchemicaltransforma-
tions––but we also look further into porphyrin chemistry. Recent
highlightsofourresearcharea)crown-etherappendedmetallopor-
phyrinswhich give deep insights into themechanismof dioxygen
activation, even under rather extremehigh-pressure conditions as
foundfordeep-seaorganisms;b)antibody-conjugatedmodularcar-
riersystemsforthetransportofphotosensitizersforPDT;c)highly
charged cationic and anionicmetalloporphyrinoids in layer-by-lay-
er-constructed photovoltaic devices; d) organization, metallation,
andswitchingexperimentsofporphyrinsonsurfaces;ande)carbon-
rich porphyrin conjugates containing hexa-peri-hexabenzocorone-
ne(HBC)moieties.Ourwork isontheonesidebasedonpowerful
organic synthetic methods and, on the other hand, highly inter-
disciplinary.WestronglycollaboratewithvariousgroupsinErlangen
within several initiatives, such as the Collaborative Research
Center 953 “Synthetic carbon allotropes”, or the Bavarian project
“SolarTechnologiesgoHybrid”.
pErspECtivEs
Wearecurrentlydeeplyinvolvedinthepreparationofporphyrins
withhighcarboncontent.Suchcompoundscanbeobtainedbyvari-
ousapproaches,suchas introductionofaceylenicorpolyaromatic
hydrocarbon (i.e., HBC) substituents. Microwave-assisted trans-
formationssuchasDiels-AlderreactionsorPd-catalyzedcouplingsare
turningouttobemoreandmoreimportant.Wehavenowestablished
aflash-vacuumpyrolysislinewhereweinvestigatethermalreactions
suchasdehydrochlorinationsordehydrogenationsofappropriately
substitutedporphyrins.Weareconvincedthatcarbon-richporphyrins
with their extended π-systems are ideal materials for molecular
electronicsandphotovoltaics.Wehaveshownthatsupramolecular
interactions such as π-π-stacking govern their structures in the
crystal.Sucheffectsmayplayavitalroleinsuccessfulapplications
intheaforementionedfields.
sELECtEd puBLiCations
• S.Ditze,M.Stark,F.Buchner,A.Aichert,N.Jux,N.Luckas,A.Goerling, W.Hieringer,J.Hornegger,H.-P.Steinrueck,H.Marbach,J. Am. Chem. Soc. 2014,136,1609 – 1616
• D.Lungerich,J.F.Hitzenberger,M.Marcia,F.Hampel,T.Drewello,N.Jux,Angew. Chem. Int. Ed. 2014,accepted.DOI:10.1002/ange.201407053
• O.Troeppner,R.Lippert,T.Shubina,A.Zahl,N.Jux,I.Ivanović-Burmazović,Angew. Chem. Int. Ed. 2014,53,11452–11457
• W.Brenner,J.Malig,R.D.Costa,D.M.Guldi,N.Jux,Adv. Mater. 2013, 25,2314– 2318
• J.M.Englert,J.Malig,V.Zamolo,A.Hirsch,N.Jux,Chem.Commun.2013, 49,4827– 4829
• G.Katsukis,J.Malig,C.Schulz-Drost,S.Leubner,N.Jux,D.M.Guldi, ACS Nano 2012,6,1915– 1924
• J.-F.Gnichwitz,R.Marczak,F.Werner,N.Lang,N.Jux,D.M.Guldi, W.Peukert,A.Hirsch,Andreas,J. Am. Chem. Soc. 2010,132,17910–17920
• K.Dürr,B.P.Macpherson,R.Warratz,F.Hampel,F.Tuczek,M.Helmreich, N.Jux,I.Ivanović-Burmazovića,J. Am. Chem. Soc. 2007,129,4217– 4228
• F.Rancan,M.Helmreich,A.Mölich,E.A.Ermilov,N.Jux,B.Röder,A.Hirsch, F.Böhm,Bioconjugate Chem. 2007,18,1078–1086
• T.E.Shubina,H.Marbach,K.Flechtner,A.Kretschmann,N.Jux,F.Buchner,H.-P.Steinrück,T.Clark,J.M.Gottfried, J. Am. Chem. Soc. 2007,129, 9476–9483
36 Profile 2014
P r o f e s s o r s
oBjECtivEs
TheresearchactivitiesoftheGuldigroupcoverthetimelytopicof
designing,devising,synthesizing,andtestingnovelnanometerscale
structures as integrative components for solar energy conversion.
Nanocarbonmaterialsareattheforefrontofourstudiesbyprobing
theminsolution,intransparentfilmsandatelectrodesurfaces.Our
experimentaltoolsspanfromultrafastspectroscopyandvibrational
spectroscopytoelectrochemistryandmicroscopy.Suchconception
isextremelyvaluablefortherealizationofsolarenergyconversion,
photovoltaics,andcatalyticreactivity,specificallytonovelchemical
andlightdrivensystems.
sCiEntifiC BaCKground
DirkM.Guldi is one of theworld-leading scientists in the field
ofcharge transfer/nanocarbons. Inparticular,he iswell-known for
his contributions to the areas of charge-separation in donor-ac-
ceptormaterials and construction of nanostructured thin films for
solarenergyconversion.HisscientificcareerhasbegunattheUni-
versityofKöln,wherehegraduated inChemistry (1988)and from
wherehereceivedhisPhD(1990).Afterapostdoctoralstayat the
NationalInstituteofStandardsandTechnologyinGaithersburg/USA
(1991/1992),hetookapositionattheHahn-Meitner-InstituteBerlin
(1992 –1994). Following a brief stay as a Feodor-Lynen Fellow at
Syracuse University /USA he joined the faculty of the Notre Dame
RadiationLaboratory /USA(1995).Then,afternearlyadecadeinthe
USA, the University of Erlangen-Nürnberg succeeded in attracting
CurriCuLum vitaE
since 2014 MemberofAustralianResearchCouncilCentreofExcellenceforElectromaterialsScience,UniversityofWollongong,Australia
since 2013 ViceDeanforResearch,FacultyofSciences,UniversityofErlangen-Nürnberg,Germany
since 2004 UniversityFullProfessor,ChairofPhysicalChemistryIattheUniversityofErlangen-Nürnberg,Germany
1995 – 2004 Faculty,UniversityofNotreDame,RadiationLaboratory,NotreDame,USA
1992 – 1995 Researcher,Hahn-Meitner-Institute,PhysicalChemistry,Berlin,Germany
1991 – 1992 PostdoctoralFellow,NationalInstituteofStandards&Technology,Gaithersburg,MD,USA
1988 – 1990 PhD,UniversityofKöln,Germany
chair of physical chemistry iprof. dr. dirK m. guldi
[email protected] • www.chemie.fau.de/guldi
37Department of Chemistry anD pharmaCy
P r o f e s s o r s
DirkM.GuldibacktoGermany,despitemajoreffortsbytheUniversity
ofNotreDame(2004)andtheUniversityofBowlingGreen(2005).In
theScientistRankinginChemistry,DirkM.GuldiisamongtheHighly
CitedResearchers2014/ThomsonReuterbasedona track record
thatincludesaround400publications,anH-indexof80.
rEsEarCh highLights
AfirsthighlightisthattheGuldigroupwasamongthefirsttode-
monstratetheoutstandingelectronacceptorpropertiesoffullerenes
inasetofdonor-acceptormaterials (JACS 1997/Nature Chemistry
2014)thatgiverisetophotoinducedchargetransferevents.Almost
simultaneously with this pioneering work, they illustrated (JACS
1997) the beneficial features of fullerenes in artificial photosyn-
thesis, that is,charge-recombination is locateddeep in the“inver-
tedregion”oftheMarcusparabola(JACS 2006/2008).Thispaved
thewaytotheirchampionsystems(JACS 2001/2004),inwhichall
theprimaryeventsofphotosynthesisaresuccessfullymimicked.Im-
pressivearethelifetimesofthespatially-separatedradicalionpair
states,theproductofasequenceofenergyandmulti-stepcharge
transferreactions,whichreach1.6s –– atimedomainthathasnever
beenaccomplishedsofarinamolecularmimicofthephotosynthetic
reactioncenter.
The incentives for their ground-breakingwork on carbonnano-
tubesweretakenfromusingthemasaversatileplatformforcharge
management,namelycharge transfer,charge transport,andcharge
storage (Nature 2007/Nature Chemistry 2014).Afirstbreakthroughin
thefieldoffunctionalcarbonnanotubes(Angewandte Chemie 2003/
Nature Chemistry 2010)was themanifestationofan intramolecular
chargetransfereventtriggeredbylight,whichledtoradicalionpair
lifetimesintherangeofseveralµs.Tothisend,atremendouschal-
lenge is the characterization of radical ion pair states that involve
differentredoxstatesofcarbonnanotubes.Here,theGuldigroupwas
firsttosucceedinestablishingconclusivelythespectroscopicsigna-
turesofreduced(JACS 2007)andoxidizedforms(Nature Chemistry
2009) ofcarbonnanotubes,whichevolvefromdonor-acceptorinter-
actions.Theoutstandingtensilestrengthofcarbonnanotubesisalso
notable.Theyrealizedvaluesof220±40MPainarevolutionarycom-
posite material (Nature Materials 2002).
Ingeneral,thechargeseparationinanyofthehighlightedma-
terialshasa lifespan longenough todissipateand thenutilize the
chargecarriers.TheGuldigroupmakesuseofthisandfocuseson
thesystematicandmolecularlycontrolledintegration/organizationof
fullerenes(Angewandte Chemie 2000)andcarbonnanotubes(Ange-
wandte Chemie 2005)intophotovoltaicdevices,whereagainphoto-
inducedchargetransferinthephotoactivelayersisthemodusope-
randi.Keytoaccomplishdeviceperformancesasremarkablyhighas
>4%areforthefirsttimein-situmeasurements(Nature Materials
2009).Theseallowchargecarrierformation,geminaterecombina-
tion,etc.tobevisualizedspectroscopicallyandkinetically.
pErspECtivEs
The major thrust of current and future work addresses the
expandingglobalneed forenergybydevelopingagroundbreaking
platformofdifferentformsofnanocarbonstoproducechemicalfuels
usingsolarenergy.Toadvancetosuchalevelofsophistication,fu-
ture research inourgroupcentersonconstructingallnanocarbon
basedoptoelectronicdevicesthatmakeuseoftheuniqueandout-
standing featuresofcarbonallotropesranging fromfullerenesand
carbon nanotubes to carbon nanohorns and graphene, which will
power the electrolytic formation of H2 and its conversion into a
portablefuel-formicacid.
sELECtEd puBLiCations
• J.Sukegawa,C.Schubert,X.Zhu,H.Tsuji,D.M.Guldi,E.Nakamura, NatureChemistry2014,6,899–905
• J.L.Lopez,C.Atienza,F.G.Brunetti,C.Romero-Nieto,D.M.Guldi,N.Martin,Nature Communications 2014,5,3763
• B.Grimm,J.Schornbaum,H.Jasch,O.Trukhina,F.Wessendrof,A.Hirsch, T.Torres,D.M.Guldi,Proc. Natl. Aca. Sci. 2012,109,15565 –15571
• C.Ehli,C.Oelsner,D.M.Guldi,A.Mateo-Alonso,M.Prato,C.Schmidt, C.Backes,F.Hauke,A.Hirsch,Nature Chemistry 2009,1,243 –249
sELECtEd rEviEWs
• J.Malig,N.Jux,D.M.Guldi,TowardMultifunctionalWetChemically FunctionalizedGraphene––IntegrationofOligomeric,Molecular,and ParticulateBuildingBlocksthatRevealPhotoactivityandRedoxActivity, Acc. Chem. Res. 2013,46,53–64
• G.Bottari,G.delaTorre,D.M.Guldi,T.Torres,CovalentandNoncovalentPhthalocyanineCarbonNanostructureSystems:Synthesis,PhotoinducedElectronTransfer,andApplicationtoMolecularPhotovoltaics,Chem. Rev. 2010,110,6768 –6818
sELECtEd aWards
• 2014FellowoftheElectrochemicalSociety(ElectrochemicalSociety)
• 2009Elhuyar-GoldschmidtAward(SpanishChemicalSociety)
• 2004JPPAward(SocietyofPorphyrins&Phthalocyanines)
• 2003JSPSAward(JapanSocietyforthePromotionofScience)
• 2000Grammaticakis-NeumannPrize(SwissSocietyofPhotochemistry)
• 1999HeisenbergPrize(DFG)
38 Profile 2014
P r o f e s s o r s
oBjECtivEs
Research in this group is concerned with the development of
mass spectrometry-based methods for the improved characteriz-
ation of modern materials. Investigations into the mechanisms of
gentleionisationmethodssuchas(Matrix-assisted)laserdesorption /
ionisation [(MA)LDI] and Electrospray ionisation [ESI] are essential
inthiscontext.Ofmajor interest isthebehaviourofcluster ionsin
the gas phase, which involves the production, reactivity (kinetics)
andthermochemistryofdifferentkindsofclusters,rangingfromthe
loosely bound van derWaals-type to strongly connected, covalent
architectures.Modernmassspectrometryisdevelopedandapplied
partly as an analytical tool and partly as a reaction vessel for the
elucidationofgeometries,energetics,andreactivitiesofgasphase
species,aimingatthetranslationofthesefindingsintothemacros-
copicworld.
sCiEntifiC BaCKground
Ourresearchactivitieshavealwaysemployedmassspectrome-
tryasatoolinoneformoranother.Earlyinvestigationsfocussedon
theuseoflargescalemulti-sectorinstrumentationforthestudyof
thefragmentationbehaviouroforganicandorganometallicspecies.
Theemphasisinthesestudieswasonthethermochemicalrequire-
mentsconnectedwiththeformationofmultiplychargedionsinthe
gas phase and on the elucidation ofmetal induced reactivity.We
havebeenalso involved in theapplicationofsynchrotronradiation
tostrictlysingle-photon-ionisation,studyinginnershellexcitationof
differenttypesofclustersandobtainingionisationandappearance
energies.Themore recentactivities focussedon reactivity studies
ofsize-selectedmetalclusterswithsmallmolecules.For these in-
vestigationsametalclustersourcewascoupledwithFouriertrans-
form-ioncyclotronresonance(FT-ICR)massspectrometry.Wehave,
also, developed interest in the area of laser desorption ionisation
CurriCuLum vitaE
since 2008 UniversityProfessorofPhysicalChemistryattheUniversityofErlangen-Nürnberg,Germany
1995 – 2007 AssociateProfessorattheUniversityofWarwick,GreatBritain
1990 – 1995 Researcher,Hahn-Meitner-Institute,Berlin,Germany
1989 – 1990 PostdoctoralFellow,UniversityofAmsterdam,Netherlands
1989 PhD,TechnischeUniversitätBerlin,Germany
professor of physical chemistryprof. dr. thomas drewello
[email protected] • www.chemie.fau.de/drewello
39Department of Chemistry anD pharmaCy
P r o f e s s o r s
bothasanapproachtowardsgentleionformationandasameansto
fuseandaggregatetailor-madeprecursorsintolargerarchitectures.
Further recent interest is in mechanistic aspects of electrospray-
based ionisation. Current instrumentation is mainly based on
quadrupole,time-of-flightandiontraptechnologies.
rEsEarCh highLights
Research in this group has a high collaborative component,
whichconsequentlyextendstotheresultingachievements.Amain
researchfocusinrecentyearswasonthedevelopmentofsoftioni-
sationapproachesforameaningfulanalysisofderivatisedfullerenes.
Thechallengeherewastotransferasolidmoleculewhichisclearly
thermo-labile into thegas-phaseand ionise itwhilepreventing its
dissociationduringbothprocesses.Key investigationsalong those
linesconcernedtheobservationthatC60 degrades to C120Oonstand-
ing(Taylor,Sussex),aswellasthedevelopmentofdissociation-free
analysesoffluorinatedfullerenes(BoltalinaandStrauss,FortCollins)
andoforganicfullerenederivatives(Hirsch,ErlangenandOrfanopou-
los,Crete)bymassspectrometry.
Theuseoflaserdesorptionasatoolforharshactivationledtothe
conversionof aC60H30,“PAH-like”non-fullereneprecursor into the
C60fullerene(Scott,Boston),anobservationwhichhelpedpavingthe
waytothefirstrationalsynthesisofC60byL.T.Scottandco-workers.
Jointly with several groups (Derrick,Warwick /Auckland;Woo-
druff, Warwick; Mackenzie; Warwick/Oxford; Beyer, Munich/Inns-
bruck)wewereinvolvedinthecreationofalaserablation/expansion
source for theefficientproductionofmetalclusters inconjunction
withFT-ICRMSwhichallowedtheinvestigationintothereactivityof
selectedclusterionswithsmallmolecules.
pErspECtivEs
Thefurtherdevelopmentofsoftionizationmethodsforthesen-
sitiveand informativeanalysisofnewmaterialscontinues tobea
challengingtask.Inthiscontext,welayemphasisonthequalitative
and thermochemical elucidationof ion/neutral andsupramolecular
interactions.
Examples of materials under investigation include ligated and
open-cage fullerenes, empty and metal-containing macrocycles,
dendrimers, pure and modified graphene, end group-protected
polyynes,ionicliquidsandpolyoxometalates.
Wewillfocusontheinvestigationofdifferentcarbonallotropes,
elucidatingtheirpropertiesandreactivitybylaser-andspray-based
methods,withemphasisonaffinitiesandinterconversion.
Finally,extendingourclusterresearch,futureinvestigationswill
focus on the formation, characterization and reactivity of different
typesofclusters.
sELECtEd puBLiCations
• I.D.Kellner,L.C.Nye,M.S.vonGernler,J.Li,M.D.Tzirakis, M.Orfanopoulos,T.Drewello,Phys. Chem. Chem. Phys. 2014,16(35),18982–18992
• G.Bottari,C.Dammann,T.Torres,T.Drewello,J. Am. Soc. Mass Spectrom. 2013,24(9),1413–1419
• J.Li,W.W.Wei,L.C.Nye,P.S.Schulz,P.Wasserscheid,I.Ivanović-Burmazović, T.Drewello,Phys. Chem. Chem. Phys. 2012,14(15),5115–5121
• I.V.Kuvychko,A.V.Streletskii,N.B.Shustova,K.Seppelt,T.Drewello, A.A.Popov,S.H.Strauss,O.V.Boltalina,J. Am. Chem. Soc. 2010, 132(18),6443 – 6462
• M.L.Anderson,A.Lacz,T.Drewello,P.J.Derrick,D.P.Woodruff, S.R.Mackenzie,J. Chem. Phys. 2009,130(6),064305/1-064305/8• C.Bruno,M.Marcaccio,D.Paolucci,C.Castellarin-Cudia,A.Goldoni, A.V.Streletskii,T.Drewello,S.Barison,A.Venturini,F.Zerbetto, F.Paolucci,J. Am. Chem. Soc. 2008,130(12),3788 –3796• Y.V.Vasil’ev,O.G.Khovostenko,A.Streletskii,O.V.Boltalina, S.G.Kotsiris,T.Drewello,J. Phys. Chem. A 2006, 110(18),5967– 5972
• M.M.Boorum,Y.V.Vasil’ev,T.Drewello,L.T.Scott,Science 2001, 294(5543),828 – 831
sELECtEd aWards
• 1988“Mattauch-Herzog-Award”bytheGermanMassSpectrometrySociety
40 Profile 2014
P r o f e s s o r s
oBjECtivEs
Current and future research activities focus on advancednon-
linear spectroscopic methods and are directed to engineering of
functionalized luminescent silicon quantumdots for optoelectronic
applications, surface-stabilized metal noble-metal clusters for
catalysisandsuperparamagneticironoxidenanoparticlesastrans-
fectionreagentforgenetherapiesandX-rayenhancerforradiation
cancertherapy.
sCiEntifiC BaCKground
CarolaKryschistartedherscientificcareerin1987withapost-
doctoralstayatStanfordUniversity/USA(1987)wheresheachieved
expertiseonultrafast laserspectroscopytechniques.Starting1988
asassistantlecturerandcontinuingafterpostdoctorallecturequalifi-
cation(1993)asAssistantProfessorattheDepartmentofExperimen-
talPhysicsoftheUniversityofDüsseldorf,shefocussedherresearch
activitiesonstudiesofultrafastexcited-statesrelaxationdynamics,
tautomerizationreactionsandphasetransitionsinmolecularcrystals
andthinpolymerfilmsusingpsresolvingtransientgratingandphoton
echospectroscopy.IncooperationwithProf.H.-D.Martin(University
ofDüsseldorf)andProf.H.-P.Trommsdorff (UJFGrenoble)shesuc-
cessfullycarriedoutaresearchprojectonopticalswitchesinliquid
andsolidphasewhicharebasedonphotochromicdithienylethene
compounds.AnothercooperationprojectwithH.-D.Martin resulted
intothesuccessfulrealizationofnonlinearopticalprobesbasedon
hemicyaninedyeswhichprovidedirectdetectionofcellmembrane
potentialchangesinlivingcells.Since2000,sheisProfessorofPhy-
sicalChemistryattheUniversityofErlangen-Nürnberg.
CurriCuLum vitaE
since 2000 UniversityProfessorofPhysicalChemistryattheUniversityofErlangen-Nürnberg,Germany
1994 – 2000 AssistantProfessor,DepartmentofExperimentalPhysics(Solid-StateSpectroscopy)attheUniversity
ofDüsseldorf,Germany
1993 HabilitationinExperimentalPhysics:“RelaxationDynamicsinMolecularCrystals”
1988 – 1993 AssistantlecturerattheDepartmentofExperimentalPhysics,UniversityofDüsseldorf,Germany
1987 PostdoctoralFellow,DepartmentofChemistryatStanfordUniversity,USA
1983 – 1986 PhD,InstituteofPhysicalChemistryattheUniversityofDüsseldorf,Germany
professor of physical chemistryprof. dr. carola Kryschi
[email protected] • www.chemie.fau.de/kryschi
41Department of Chemistry anD pharmaCy
P r o f e s s o r s
rEsEarCh highLights
Oneresearchhighlightwasthesuccessfulrealizationofmolecu-
laropticalswitchesbuiltondithienylethenewhichreversiblyoperate
on the picosecond scale by switching between a transparent and
colouredstateaswellasallowswitchingonandofftheemissionof
anattachedfluorophore(J.Phys.Chem.2001).
In cooperationwith Evonik IndustriesAGwedevelopeda two-
stepprocedureenablingforthefirsttimethefabricationofsurface
stabilized,oxide-freeluminescentsiliconquantumdots(EP2067743
A1)whichwereshowntofunctionastransfectionreagentforsiRNA
(BBRC2009)thatinitiatedRNAimediatedspecificgenesuppression.
In anactual cooperative researchprojectwith institutesof the
FacultyofMedicineatFAUweengineeredsurface-modifiedsilicon
clustersandsuperparamagneticironoxidenanoparticlesthatactas
X-ray enhancer for low-dose radiation therapy (BBRC2012,BBRC
2013,J.Phys.Chem.B2014).
pErspECtivEs
Our future research activities are focused onto functionalized
noblemetal,metaloxideandsemiconductorclusters,quantumdots
and nanoparticles that are tailored for catalysis, optoelectronic or
medicalapplication.Wewilldevelopnovelwet-chemistryrecipesfor
thecheapproductionoffunctionalizedluminescentsiliconquantum
dotswithadjustablesizesanddefinedsurfacestructureswhichfa-
cilitateoptoelectronicapplications.Anotherresearchobjectiveisthe
engineeringofnoble-metalclustersonsemiconductornanosubstra-
tes for photo-catalysis ofwaste-water treatment.Actuallywe ela-
boratenovelsynthesisroutesformultifunctionalsuperparamagnetic
ironoxidenanoparticles thatmayactassynergisticnanoplatforms
forradiationtherapiesoftumors.
sELECtEd puBLiCations
• S.Klein,A.Sommer,L.V.R.Distel,J.-L.Hazemann,W.Kröner,W.Neuhuber,P.Müller,O.Proux,C.Kryschi, J. Phys. Chem. B 2014,118,6159–6166
• Y.Xie,L.Carbone,C.Nobile,V.Grillo,S.D’Agostino,F.DellaSala, C.Giannini,D.Altamura,C.Oelsner,C.Kryschi,P.D.Cozzoli,ACS Nano 2013,7,7352–7369
• A.Sommer,C.Cimpean,M.Kunz,C.Oelsner,H.J.Kupka,C.Kryschi, J. Phys. Chem. C 2011,115,22781–22788
• J.Ern,A.T.Bens,H.-D.Martin,S.Mukamel,S.Tretiak,K.Tsyganenko, K.Kuldova,H.P.Trommsdorff,C.Kryschi,J. Phys. Chem. 2008, A105,1741–1749
• C.Rusu,H.Lanig,O.Othersen,C.Kryschi,T.Clark,J. Phys. Chem. 2008, B112(8),2445 – 2455
• V.Kuntermann,C.Cimpean,G.Brehm,G.Sauer,C.Kryschi,H.Wiggers, Phys. Rev. 2008, B77,115343 –115343
sELECtEd rEviEWs
• C.Cimpean,V.Groenewegen,V.Kuntermann,A.Sommer,C.Kryschi, UltrafastExcitonRelaxationDynamicsinSiliconQuantumDots, Laser & Photon. Rev. 2009, 1
sELECtEd aWards
• 1989Benningsen-Foerder(NRW)Award
42 Profile 2014
P r o f e s s o r s
oBjECtivEs
ThemissionoftheChairofPhysicalChemistryIIistoprovidean
optimumofenvironmenttoperformsurfaceandinterfacescienceat
thehighestpossiblelevelandtocreateanattractiveandinternational
competitiveatmosphereforresearchersatallstagesoftheircareer,
fromB.Sc.,M.Sc. and PhD students to postdocs and junior group
leaders.Theresearchactivitiesfollowaninterdisciplinaryapproach
with numerous local, national and international cooperations with
colleagues in physics, chemistry, chemical engineering, and ma-
terialsscience,whicharedocumentedincollaborativeresearchpro-
jectsandpublications.Specificemphasislaysalsoontheeducation
ofundergraduatestudents,onlectures,seminars,andlab-courses.
sCiEntifiC BaCKground
Surfaces are the outer boundary of any condensed material.
Theydominatetheinteractionwiththeenvironmentandplayade-
cisiverole innumerousnaturalandtechnologicalprocesses,rang-
ing from heterogeneous catalysis, sensor technology and nano-
technology tomodernmaterial science.Our activities focus in the
areaofsurfaceand interfacesciencewithmainresearch interests
in:1)Developmentofnewmaterialswithnovelelectronic,geome-
tric and chemical properties, 2) Investigation of elementary steps
of surface reactions, and 3) Construction of advanced scientific
apparatus.Thesestudiesaimatafundamentalphysicalandchem-
ical understanding of the mechanisms and processes involved,
CurriCuLum vitaE
since 1998 UniversityFullProfessor,ChairofPhysicalChemistryattheUniversity
ofErlangen-Nürnberg,Germany
1994 – 1998 AssociateProfessorofExperimentalPhysicsattheUniversityofWürzburg,Germany
1993 VisitingScientistatRutgersUniversity,USA
1992 HabilitationinExperimentalPhysics(Dr.rer.nat.habil.)
1986 – 1994 AssistantatTechnischeUniversitätMünchen(TUM),Germany
1985 – 1986 PostdoctoralFellowatStanfordUniversity,USA
1985 PhD(Dr.techn.)atGrazUniversityofTechnology,Austria
1983 DiplomainTechnicalPhysics(Dipl.-Ing.)atGrazUniversityofTechnology,Austria
chair of physical chemistry iiprof. dr. hans-peter steinrücK
[email protected] • www.chemie.fau.de/steinrueck
43Department of Chemistry anD pharmaCy
P r o f e s s o r s
at an atomic level. For these investigations a large variety of ex-
perimental methods is applied, including synchrotron radiation-
basedphotoelectronspectroscopy,scanningelectronandscanning
tunnelingmicroscopy,andmolecularbeammethods.
rEsEarCh highLights
Ouractivitiescoveranumberofdifferenthighlighttopics:“Sur-
face Science with porphyrins”paysspecificattentiontothesynthesis
of metallo-porphyrinoids by in-situmetallation on a surface, their
formationof supramolecularnetworks, their internal conformation,
theirelectronicinteractionwithmetalsubstratesandtheadsorption
ofsmallmoleculesattheirmetalcenter.“Surface Science with Ionic
Liquids”addresses thesystematicstudyof theirsurfacecomposi-
tion,ofenrichmenteffectsandthechemicalreactivityofdissolved
transitionmetalcomplexes.The“Chemical modification of graphene”
addresses different routes to functionalize graphene supported on
metalsubstrates.Our“In-situ stud ies of surface reactions” aim at
the investigationofprocesses in-situontimescalesdownto1sec
byhigh-resolutionXPSoratpressuresupto1mbar.“Electron beam
induced deposition (EBID)”ofprecursormoleculesallowstofabricate
ultracleanmetalandoxidenanostructuresofanarbitraryshape.And
finally,“Ultrathin metal, alloy and oxide films”dealwiththeprepara-
tionofsuchsystemsandthesystematicvariationoftheirelectronic,
geometric,andchemicalproperties.
pErspECtivEs
Basedontheachieveddetailedunderstandingforsimplemodel
systemsoneofourfuturegoalsistoaddressmorecomplexsystems
tobridgedifferentgaps,whicharepresentchallengesinthescience
of solid/gas, liquid/gas and solid/liquid interfaces. The “pressure
gap” concernsmodel conditions in ultrahigh vacuum systems vs.
realworld catalysis, the“materials gap” defect free single crystal
surfacesvs.nanoparticleswith facets,kinksandsteps,andfinally
the “communication gap”standsforthedifficultiesonefaceswhen
new interdisciplinary collaborations are initiated. In addition, one
majordrivingforceistocontinueourthoroughinvestigationsatthe
highestexperimental level toobtain insight inthefundamentalas-
pectsofphysicalandchemicalprocessesoccurringatthesurfaces
ofsolidsandliquids.
sELECtEd puBLiCations
• S.Ditze,M.Stark,F.Buchner,A.Aichert,N.Jux,N.Luckas, A.Görling,W.Hieringer,J.Hornegger,H.-P.Steinrück,HMarbach, J. Am. Chem. Soc. 2014,136,1609–1616
• I.Niedermaier,N.Taccardi,P.Wasserscheid,F.Maier,H.-P.Steinrück, Angew. Chem. Int. Edition 2013,52,8904–8907
• S.Ditze,M.Stark,M.Drost,F.Buchner,H.-P.Steinrück,H.Marbach, Angew. Chemie. Int. Ed. 2012,5110898–10901
• J.M.Englert,C.Dotzea,G.Yang,M.Schmid,C.Papp,J.M.Gottfried, H.-P.Steinrück,E.Spiecker,F.Hauke,A.Hirsch,Nature Chemistry 2011, 3,279–286
• W.Hieringer,K.Flechtner,A.Kretschmann,K.Seufert,W.Auwärter, J.V.Barth,A.Görling,H.-P.Steinrück,J.M.Gottfried,J. Am. Chem. Soc. 2011,133,6206–6222
• M.-M.Walz,M.Schirmer,F.Vollnhals,T.Lukasczyk,H.-P.Steinrück, H.Marbach,Angew. Chem, Int. Ed. 2010,49,4669–4673
• R.Streber,C.Papp,M.P.A.Lorenz,A.Bayer,R.Denecke,H.-P.Steinrück,Angew. Chem., Int. Ed. 2009,48,9743–9746
• K.Flechtner,A.Kretschmann,H.-P.Steinrück,andJ.M.Gottfried, J. Am. Chem. Soc. 2007,129,12110
• J.M.Gottfried,K.Flechtner,A.Kretschmann,T.Lukasczyk,H.-P.Steinrück, J. Am. Chem. Soc. 2006,128,5644–5645
sELECtEd rEviEWs
• C.Papp,P.Wasserscheid,J.Libuda,H.-P.Steinrück,LiquidOrganicHydrogenCarriers:SurfaceScienceStudiesofCarbazoleDerivatives,Chem. Rec. (inpress),DOI10.1002/tcr.201402014
• H.Marbach,H.-P.Steinrück,Studyingthedynamicbehaviourofporphyrinsasprototypefunctionalmoleculesbyscanningtunnellingmicroscopyclosetoroomtemperature,Chem. Commun. 2014,50,9034–9048
• C.Papp,H.-P.Steinrück,In-situhigh-resolutionX-rayphotoelectronspectroscopy–Fundamentalinsightsinsurfacereactions,Surface Science Reports 2013,68,446–487
• H.-P.Steinrück,RecentdevelopmentsinthestudyofionicliquidinterfacesusingX-rayphotoelectronspectroscopyandpotentialfuturedirections,Phys. Chem. Chem. Phys. 2012,14,5010–5029
• H.-P.Steinrück,Angle-resolvedphotoemissionstudiesofadsorbed hydrocarbons,Journal of Physics: Condens. Matter 1996,8,6465–6509
sELECtEd aWards
• 2013FellowoftheAmericanPhysicalSociety• 2012MemberofAcademiaEuropaea––TheAcademyofEurope• Since2009GuestProfessor,UniversityofScienceandTechnology
ofChina(USTC),Hefei,China
44 Profile 2014
P r o f e s s o r s
oBjECtivEs
Weaimforthespectroscopicandmicroscopiccharacterizationof
organicnanostructuresandthinfilmsmainlyusingX-raybasedana-
lyticaltools.Theunderstandingofstructure-propertyrelationshipsis
essentialtoimproveorganicelectronicdevices.High-resolutionelec-
tronspectroscopyandX-raymicroscopyshalloffer insight intothe
electronicproperties,electronicexcitations,intra-andintermolecular
interactions in controlled organic structures, organic nanocrystals,
organicdevices,andhybridmaterials.
sCiEntifiC BaCKground
Ultrathin organics arewidely used in variousfields, from, e.g.,
protective polymer films to active layers in organic electronic de-
vices.Their electronic properties largely depend on their structure
which may be controlled by growth conditions or the underlying
substratematerial.Wehaveexploredthefundamentalgrowthprop-
erties of organic thin films and their electronic structure from the
submonolayerregimetothickerfilms.Theimpactofintermolecular
interactionsandthecouplingtometalsubstrateshasbeenstudiedin
detail.Inparticular,theinitialgrowthprocesscontrolstheformation
ofmicrocrystallinedomains.Usingsurface-sensitivehigh-resolution
spectromicroscopy, the influence of surface defects like e.g., step
edgescouldbeexplored.High-resolutionNEXAFSspectroscopyof-
fersdetailedinsightintotheintramolecularexcitationandelectronic
relaxationeffectswhencomparingthecondensedandgasphases.
Infavourablecases,thecouplingofelectronicexcitationstovibro-
nicmodescanbemonitored.Thus,structure-propertyrelationships
becomedirectlyaccessible.PresentsoftX-raymicrospectroscopes
combinethesuperiorspectroscopicfingerprintbehaviourofNEXAFS
CurriCuLum vitaE
since 2002 UniversityProfessorofPhysicalChemistryattheUniversity
ofErlangen-Nürnberg,Germany
1993 – 2002 ResearcherattheUniversityofWürzburg(Prof.Umbach),Germany
1992 – 1993 PostdoctoralFellow,UppsalaUniversitet,Sweden
1992 PhDinExperimentalPhysicsattheUniversityof
Konstanz(Prof.Schatz),Germany
professor of physical chemistryprof. dr. rainer finK
[email protected] • www.chemie.fau.de/fink
45Department of Chemistry anD pharmaCy
P r o f e s s o r s
withultimatespatialresolutionsandofferthechancetoinvestigate
morecomplexstructureslikemultinarymaterials,polymerblendsor
hybridmaterials.
rEsEarCh highLights
Duringrecentexperimentsinthinfilmanalysiswewereableto
exploreanunusualstructuralphasetransition:uponcoolingbelowa
criticaltemperatureofabout160K,NTCDAmonolayersadsorbedon
Ag(111)undergoareversibleorder-disorderphasetransition,i.e.,a
disorderedlow-temperaturestateformsincontrasttoconventional
phasetransitions.Thisphenomenoniscalledaninverse-meltingpro-
cess.Inversemeltinghassofaronlybeenobservedinfewmaterials
whenapplyinghighexternalpressure.Inourcase,sufficientlystrong
interactionoftheadsorbedmoleculeswiththeunderlyingsurfaceis
consideredtoinducelateralpressurewithintheorganicfilm.Thus,
thedelicatebalanceoflateralandverticalforcescannolongersta-
bilizetheorderedphase.
UsingscanningX-raytransmissionmicrospectroscopy(STXM)a
varietyofdifferenttopicshavebeenaddressedandstudiedindetail.
E.g.,inmicroparticlesstabilizedbyapolyvinylealcoholnetworkmay
serveasgasmicro-containerswithpotentialapplicationsinmedical
analysisanddrugdelivery.STXMcouldofferdirect insight intothe
microbubbles to proof the gas enclosure. In some caseswewere
abletomonitorthechemicalchangeswithintheshellthusenabling
gas permeation. Microspectroscopic thin film analysis focuses on
theinvestigationoffunctionalorganicmaterialslikee.g.,pentacene-
basedorganicfieldeffecttransistorsortransportinmolecularwires.
UsingthelocalNEXAFSprobewewereabletomonitortheelectronic
structurewithintheactiveareawhiletheOFETordeviceisoperated.
pErspECtivEs
There are fewongoing technological developments to improve
theresolutioninX-raymicrospectroscopy.Besidesimprovementsin
zoneplatetechnologytoproducesmallerfociinconventionalSTXM
analysis,lenslessimagingisbecominganimportanttool.Implemen-
tationofsuch techniques intoexistingzone-platescanningmicro-
scopeswillprovideaccesstothephasethusallowingmoreevolved
image reconstruction techniques (ptychography). Aberration-free
imagingand improvedspatial resolutionsmay thenbecomeavail-
able.Confocal imagingusingshortwavelengthswillovercome the
diffraction-limit in3Dmicroscopy.Presentstudiesevaluate there-
alizationofazone-platebasedconfocalmicroscopeinthesoftx-ray
regime.Thesedevelopmentswillbesupportedbyexperimentsthat
implementhigher-orderdiffractiontoimprovethelateralresolution
inSTXMintotheregimebelow10nm.Modificationsofthesample
surroundings will offer potential new applications in X-raymicro-
spectroscopy,like,e.g.,imagingofbiologicalsamplesintheirnatural
statewithoutstainingorspecificsamplepreparations.Organicthin
filmsandtheirself-organizationmechanismandapplicationsinmo-
lecule-basedelectronicswillbecomeanother importantfield infu-
tureresearchstudies.Here,in-situstudiesshallgiveinsightintothe
growth kinetics andmolecular self-organization on themesoscale
usingLEEMandPEEMasdirectimagingtechniques.
sELECtEd puBLiCations
• A.Späth,S.Schöll,C.Riess,D.Schmidtel,G.Paradossi,J.Raabe, J.Hornegger,R.H.Fink,Ultramicroscopy 2014,144,19–25
• B.A.Collins,J.Cochran,H.Yan,E.Gann,C.Hub,R.Fink,C.Wang, T.Schuettfort,C.R.McNeill,M.L.Chabinyc,andH.Ade,Nature materials 2012,11(6),536–543
• N.Schmidt,T.Clark.S.G.Urquhart,R.H.Fink,J. Chem. Phys. 2011, 135(14),144301
• A.Schöll,L.Kilian,Y.Zou,J.Ziroff,S.Hame,F.Reinert,E.Umbach, R.H.Fink,Science 2010,329,303 –305• C.Hub,M.Burkhardt,M.Halik,G.Tzvetkov,R.Fink, J. Mat. Chem. 2010,
20,4884 –4887
• G.Tzvetkov,P.Fernandes,A.Fery,F.Cavalieri,G.Paradossi,R.Fink, Soft Matter 2008, 4,510 –514
sELECtEd rEviEWs
• R.Fink,Chr.Hub,G.Tzvetkov,Zone-platebasednanospectroscopywith softx-raysattheSLS,Acta Physica Polonica 2009,A115,462 –466
• J.Raabe,R.Fink,G.Tzvetkov,U.Flechsig,M.Böge,A.Jaggi, B.Sarafimov,C.Quitmann,M.Heuberger-Vernooij,T.Huthwelker, H.Ade,D.Kilcoyne,T.Tyliszczak,PolLux:AnewBeamlineforSoftX-Ray
SpectromicroscopyattheSLS,Rev. Sci. Instrum. 2008, 79,113704
46 Profile 2014
P r o f e s s o r s
oBjECtivEs
Chemicalreactionsandphysicalprocessesatcomplexsurfaces
playapivotalroleinmanyareasoftoday’stechnology.Towardsabet-
terunderstandingoftheunderlyingphysicalandchemicalphenomena
atthemicroscopiclevel,wedevelopandinvestigatecomplexnano-
structuredmodelsurfaces.Mechanisms,dynamics,andkineticsof
chemicalreactionsonthesemodelsareprobedusingtime-resolved
in-situ und operando spectroscopies fromultrahigh vacuumup to
atmosphericpressureandunder electrochemical conditions.Thus,
ourworkaimsat linking fundamental surfacescienceapproaches
toappliedresearch.
sCiEntifiC BaCKground
Heterogeneouscatalysis,environmentalandenergytechnology,
materialsscienceandnanotechnology:theseareonlyfewexamples
ofcentralareasof21st centurytechnology,wheresurfaceandinter-
face reactions play a key role. A brief look at current research
onrelatedprocesses reveals,however,aquitesurprising fact:The
underlyingchemistryisonlypoorlyunderstoodinmostcases.This
lackofknowledgeisnotjustdisappointingfromapurelyacademic
pointofview.Infact,italsopreventsanyrationalimprovementand
developmentinthecorrespondingfields.
Thereasonsforthelimitedinsightinto‘reallife’surfaceandin-
terfacereactionsbecomeobviousifwehaveacloserlookattherela-
tedchemicalsystemsandenvironments.Asanexample,letusfocus
onthefieldofheterogeneouscatalysis.Catalystmaterialsarehighly
complexmulti-componentmixtureswithchemicalpropertiessensi-
tivelydependingontheirparticularnanostructureandcomposition.
Incatalystdevelopment,thesedependenciesarevital,astheyallow
empiricaloptimizationofcatalyticperformance.Fromafundamental
researchpointofview,however,thecomplexityofmaterialsisfatal
withrespecttoamicroscopiclevelunderstanding.Here,ourstrategy
CurriCuLum vitaE
since 2005 UniversityProfessorofPhysicalChemistryattheUniversityofErlangen-Nürnberg,Germany
1996 – 2005 GroupLeader,DepartmentofChemicalPhysics,Fritz-Haber-InstitutderMax-Planck-Gesellschaft(MPG),Berlin,Germany
2003 Habilitation,HumboldtUniversityofBerlin,Germany
1998 – 1999 PostdoctoralFellow,DepartmentofChemistry,PrincetonUniversity,USA
1996 PhD,Ruhr-UniversityBochum,Germany
professor of physical chemistryprof. dr. jörg liBuda
[email protected] • www.chemie.fau.de/libuda
47Department of Chemistry anD pharmaCy
P r o f e s s o r s
reliesonthedevelopmentofmodelsystems,whichallowustosimu-
latecertaincomplexfeaturesofrealsystemsunderwell-controlled
conditions, simultaneously providing amaximumof structural and
chemicalcontrol.Mechanisticandkineticinformationisobtainedon
thesemodelsystemsusingstate-of-the-artsurfacespectroscopies.
Thisinformationcanthenbetransferredtotherealworldapplication,
whereitmaypotentiallyinspirefutureimprovements.
rEsEarCh highLights
Allcurrentprojectsofourresearchgroupareembeddedintointer-
disciplinary cooperations with research groups in chemistry, phy-
sics,theory,materialsscience,chemicalengineering,orindustry.Ina
currentprojectinenergy-relatedcatalysisweinvestigate,forinstance,
novel fuel-cell catalysts with lower demand for critical materials
such as noble metals. Together with partners from academia and
industrywedevelopmodelsystemstoexplorethefundamentalsur-
facechemistryofsuchmaterialsusingasurfacescienceapproach
andtransferthisknowledgetorealisticmaterialsandenvironments,
i.e., ambient pressure and electrochemically controlled conditions.
Here,weusenotonlyin-houseexperiments,suchasmolecularbeam
techniquesandtime-resolvedsurfaceIRspectroscopy,butalsosyn-
chrotron-radiation basedmethods. In theDFGResearchUnit“fun-
COS”,aninterdisciplinaryteamfromchemistry,physicsandengineer-
ing, we study the fundamental properties of organic thin films on
oxidesurfaces,systemsthatareusedinmolecularelectronics,solar
cells,orcatalysis.Within theExcellenceClusterEngineeringofAd-
vanced Materials, our projects aim at energy-related materials,
suchashydrogenstorage, forexample inso-calledLiquidOrganic
Hydrogen Carriers, and at novel concepts in catalysis, such as
ionic-liquid-based model catalysis and material synthesis. For in-
stance,wedevelopmentnew ionic liquidmodelcatalysts following
a surface science approach. Suchmodel systems provide insights
intotheinterfacialchemistryofionicliquidfilmsatanunprecedented
levelofdetail.
pErspECtivEs
The group is involved in several new activities, most of them
emerging at the interface between fundamental sciences and en-
gineering.A special focus is on the development of spectroscopic
methods thatdirectly link fundamentalsurfacescienceandmodel
catalysistostudiesunderrealisticconditionsandonrealmaterials.
To this aim a new facility for time-resolved in-situ and operando
spectroscopyhasbeensetupwithintheExcellenceClusterEngineer-
ing of Advanced Materials. So-called operando methods combine
measurementsofcatalyticactivitywithspectroscopicinvestigations
performedat thesametime.Currently,newspectroscopy facilities
aredevelopedtostudyatomicallywell-definedliquid-solidinterfaces
under electrochemically controlled conditions. In a unique fashion,
thesemethodsallowsustolinkscientificresultsobtainedunderide-
alsurface-scienceconditionstomodelstudiesoncomplexsurfaces
and,finally,toreal-lifecatalysts.Suchspectroscopiclinksclosethe
often-cited gap betweenmodel studies and applied research and
providemechanisticinsightsthathelptodevelopnewcatalyticsys-
temsataknowledge-drivenbasis.
sELECtEd puBLiCations
• M.Amende,Ch.Gleichweit,K.Werner,S.Schernich,W.Zhao,M.P.A.Lorenz,O.Höfert,C.Papp,M.Koch,P.Wasserscheid,M.Laurin,H.-P.Steinrück, J.Libuda, ACS Catal. 2014,4,657– 665
• A.Bruix,Y.Lykhach,I.Matolínová,A.Neitzel,T.Skála,N.Tsud,M.Vorokhta, V.Stetsovych,K.Ševčíková,J.Mysliveček,K.C.Prince,S.Bruyère,V.Potin, F.Illas,V.Matolín,J.Libuda,K.M.Neyman,Angew. Chem. Int. Ed. 2014, 53,10531–10535
• M.Kusche,F.Enzenberger,S.Bajus,H.Niedermeyer,A.Bösmann,A.Kaftan,M.Laurin,J.Libuda,P.Wasserscheid,Angew. Chem. Int. Ed. 2013, 52,5028–5032
• G.N.Vayssilov,Y.Lykhach,A.Migani,T.Staudt,G.P.Petrova,N.Tsud, T.Skála,A.Bruix,F.Illas,K.C.Prince,V.Matolín,K.M.Neyman,J.Libuda,Nat. Mater. 2011,10,310–315
• T.Schalow,B.Brandt,D.E.Starr,M.Laurin,Sh.K.Shaikhutdivov, S.Schauermann,J.Libuda,H.-J.Freund,Angew. Chem. Int. Ed. 2006, 45,3693–3697
• V.Johánek,M.Laurin,A.W.Grant,B.Kasemo,C.R.Henry,J.Libuda, H.-J.Freund,Science 2004,304,1639–1644
sELECtEd rEviEWs
• C.Papp,P.Wasserscheid,J.Libuda,H.-P.Steinrück,LiquidOrganicHydrogenCarriers:SurfaceScienceStudiesofCarbazoleDerivatives,Chem. Rec. 2014,DOI10.1002/tcr.201402014
• H.-P.Steinrück,J.Libuda,P.Wasserscheid,T.Cremer,C.Kolbeck,M.Laurin,F.Maier,M.Sobota,P.S.Schulz,M.Stark,SurfaceScienceandModelCataly-
siswithIonicLiquid-modifiedMaterials,Adv. Mater. 2011,23,2571–2587• J.Libuda,H.-J.Freund,MolecularBeamExperimentsonModelCatalysts,
Surf. Sci. Rep. 2005,57,157–298
sELECtEd aWards
• FellowandReferee“StudienstiftungdesDeutschenVolkes”
• 1996Otto-Hahn-Medaille,Max-Planck-Gesellschaft(MPG)
48 Profile 2014
P r o f e s s o r s
oBjECtivEs
The research group of Andreas Görling develops and applies
electronicstructuremethods todescribestructural,electronic,and
opticalpropertiesofmolecules,clusters,surfaces,andsolidsaswell
astheirreactivity.Thefocusliesonmethodsbasedondensity-func-
tionaltheorybothwithinquantumchemistryandsolidstatephysics.
Themaingoal is thedevelopmentofgenerallyapplicable,efficient
methodsandtheirapplicationinclosecollaborationwithexperimen-
tal groups active in preparative chemistry, spectroscopy, catalysis,
surfacescience,andmaterialsscience.
sCiEntifiC BaCKground
Chemistrytraditionallyhasbeenasciencedominatedbyexperi-
ment. However, over the last three decades theory has strongly
gained in importancewithinchemistry.Nowadays jointprojectsby
CurriCuLum vitaE
since 2004 UniversityFullProfessorofTheoreticalChemistryandDirector
oftheComputerChemistryCenter(CCC)attheUniversity
ofErlangen-Nürnberg,Germany
2003 – 2004 UniversityProfessorofTheoreticalChemistry,UniversityofBonn,Germany
2001 – 2003 Priv.Doz.attheChairofTheoreticalChemistry,
TechnischeUniversitätMünchen,Germany
1995 – 2000 HeisenbergScholaroftheDeutscheForschungsgemeinschaft(DFG),
TechnischeUniversitätMünchen,Germany
1993 – 1995 HabilitationScholaroftheDFG,TechnischeUniversitätMünchenand
TulaneUniversity,NewOrleans,USA
1991 – 1992 PostdoctoralFellow,TulaneUniversity,NewOrleans,USA
1990 PhDinChemistry,TechnischeUniversitätMünchen(Prof.Rösch),Germany
1986 DiplomainChemistry,TechnischeUniversitätMünchen,Germany
chair of theoretical chemistryprof. dr. andreas görling
[email protected] • www.chemie.fau.de/goerling
49Department of Chemistry anD pharmaCy
P r o f e s s o r s
theoreticians and experimentalists have become the rule. Today,
theory not only helps interpreting andunderstanding experimental
findings butmakes predictions suggesting promising experiments
orsynthetictargets.Thegrowingimportanceofelectronicstructure
calculations results both from the availability of faster and faster
computersand thedevelopmentofmoreandmorepowerfulelec-
tronicstructuremethods,inparticularmethodsbasedonorrelated
todensity-functional theory.Theactivitiesof thegroupofAndreas
Görlinghavetobeseeninthiscontext.
About half of the group focuses on the development of formal
theoryandnewmethods, including the implementationof the lat-
ter,bothinhomegrowncomputercodesandcommerciallyavailable
quantumchemistry packages.The other half of the group is con-
cernedwithapplicationsofvariouselectronicstructuremethodsin
jointprojectswithexperimentalgroups.Acharacteristicofthegroup
is that the scientific activities range from“paper and pencil” the-
oryoverthedevelopmentandimplementationofelectronicstructure
methodstoclosecollaborationswithexperimentalpartners.
rEsEarCh highLights
In recent years novel density-functional methods employing
orbital-dependentfunctionalsweredeveloped,inparticular,methods
treatingtheelectroncorrelationonthebasisoftheadiabatic-connec-
tion fluctuation-dissipation theorem.Thesemethods do not suffer
from the shortcomingsof conventional density-functionalmethods
andtherefore, incontrasttothelatter,candescribeVan-der-Waals
interactionsandelectronicstructurescharacterizedbystaticcorrela-
tionwhichtypicallyoccurduringthebreakingandformingofbonds.
Theaccuracyofthenewdensity-functionalmethodsiscomparable
tothatofhigh-level,wave-function-basedquantumchemistryme-
thodswhile therequiredcomputationaleffort isdistinctively lower.
Thisopensupnewexcitingnewperspectivesforquantumchemistry,
mostimportantly,thetreatmentofmoleculesorassembliesofmole-
culescontainingmorethanhundredatomswithunprecedentedac-
curacyenablingpredictionsoftheirpropertiesandreactivitieswith,
sofar,unmatchedreliability.
Recentexamplesofapplicationsofmethodsfromtheoryinjoint
projectswithexperimentalgroupshere inErlangencomprisework
onsyntheticcarbonallotropesintheframeworkofthecollaborative
researchcentre953whichislocatedinErlangenandisfundedbythe
GermanResearchFoundation.TogetherwiththegroupofHans-Peter
SteinrückofPhysicalChemistrydopingandchemicalfunctionaliza-
tionofgrapheneadsorbedonmetalsurfacesisinvestigated,colla-
borationswithRikTykwinskiandhisgroupfromOrganicChemistry
aimatthesynthesisofpolynesandcumulenesaswellasgraphynes,
andwiththegroupofAndreasHirschfromOrganicChemistrynew
approachestoseparatedifferentcarbonnanotubesareexplored.Wi-
thintheresearchunit1878fundedbytheGermanResearchFounda-
tionfunctionalmoleculesoncomplexoxidesurfacesareinvestigated
with various groups from chemistry and physics. In collaborations
with thegroupofPeterWasserscheid fromChemicalReactionEn-
gineering new catalytic concepts are developedwhich reduce the
needforcostlypreciousmetals.Theroleofdispersion interactions
onefficiencyandchemo-,regio-,andstereoselectivityoforganoca-
talystsisinvestigatedwiththegroupofSvetlanaTsogoevafromOr-
ganicChemistry.TogetherwiththegroupofHeikoWeberofApplied
Physicsvibrationalsignaturesinsinglemoleculecurrent-voltageex-
perimentareinterpretedandassigned.
pErspECtivEs
In the future the interplay between method development and
applicationsshallbecomeevencloser.Thenewmethodsdeveloped
inrecentyearswillbefurtherdevelopedandoptimizedandwillbe
madeavailabletothequantumchemistrycommunityinwidelyused
computerpackages.Inthisway,thearsenalofavailablemethodsfor
investigatingquestionsinchemistryandmaterialsscienceisgoing
tobeenlarged.Inthefuture,furthermore,workonmaterialsforener-
gyconversionandstorageshalldevelopintoanewresearchfocusof
thegroup.
sELECtEd puBLiCations
• J.A.Januszewski,F.Hampel,C.Neiss,A.Görling,R.Tykwinski, Angew. Chem. Int. Ed. 2014,53,3743–3747
• P.Bleiziffer,A.Heßelmann,A.Görling, J. Chem. Phys. 2013,139,084113• P.Bleiziffer,A.Heßelmann,A.Görling, J. Chem. Phys. 2012,136,134102• D.Malko,F.Viñes,C.Neiss,A.Görling,Phys. Rev. Lett. 2012, 108,086804• A.Heßelmann,A.Görling,Phys. Rev. Lett. 2011,106,093001• S.M.Kozlov,F.Viñes,A.Görling,Adv. Mater. 2011,23,2638–2643• W.Hieringer,K.Flechtner,A.Kretschmann,K.Seufert,W.Auwärter,
J.Barth,A.Görling,H.-P.Steinrück,J.Gottfried,J. Am. Chem. Soc. 2011, 133,6206–6222
sELECtEd rEviEWs
• A.Heßelmann,A.Görling,Random-phaseapproximationcorrelation methodsformoleculesandsolids,Mol. Phy. 2011,109,2473–2500
• A.Görling,Exact-exchangeMethodsandPerturbationTheoryalong theAdiabaticConnection,in:TimeDependentFunctionalTheory,Ed. M.Marques,C.A.Ullrich,F.Nogueira,A.Rubio,K.Burke,E.K.U.Gross,LectureNotesinPhysics706,Springer,Heidelberg2006, 137
• A.Görling,Orbital-andstate-dependentfunctionalsindensity-functionaltheory,J. Chem. Phys. 2005, 123,062203
sELECtEd aWards
• 1995 – 2000HeisenbergFellowshipoftheDeutscheForschungs- gemeinschaft(DFG)
• 2000HansG.A.HellmannPrizeforTheoreticalChemistry
50 Profile 2014
P r o f e s s o r s
oBjECtivEs
Theaimofourgroupisthedevelopmentandapplicationofstatic
and molecular dynamics simulations for the investigation of the
mechanisms of reactions, nucleation events and self-organization
processes.Theaddressedtopicsrangefrommaterialsscience,solid
statechemistryuptobiophysicsandgeneralphysicalchemistry.
sCiEntifiC BaCKground
Thetime-lengthscaleprobleminherenttocomplexsystemsre-
presentsthekeyobstacletothedirectsimulationofmanyinteresting
processes.Bydevelopmentandapplicationofpowerfulalgorithmsto
tackletheselimitationstoatomisticsimulations,wepavedtheroad
todetailedmechanisticinvestigationsofnucleation,self-organization
and reactions. On the basis of realistic simulation scenarios we
establishincreasinglycloseconnectionstotheexperiments.
rEsEarCh highLights
Usingnovelmoleculardynamicsstrategies,weuncoveredmech-
anisms of ion aggregation and nanocrystal formation and ration-
alized the structure and properties of (nano)composite materials.
Crystalnucleationandgrowthisoffundamentalinterestinphysics,
chemistry,andmaterialsscience,butalsoinaspecificdisciplineof
biology––theinvestigationofbiominerals.Whilenucleationproces-
sesandmaterials properties arewell characterizedat themacro-
scopicandmesoscopicscalebyawealthofexperimentalevidence,
in particular for understandingmechanisms at the atomic level of
detail,computersimulationshaveproventobeaverypowerfultool.
An important part of our work is the development of efficient
methodstoallowthestudyofrealisticcrystalnucleationscenarioswith
adirectrelationtosolidstateandmaterialschemistry.Theaimofour
moleculardynamicssimulationstudiesis1)toexplorethenucleati-
CurriCuLum vitaE
since 2010 UniversityProfessorofTheoreticalChemistryattheUniversityofErlangen-Nürnberg,Germany
2008 – 2010 HeisenbergFellow,VisitingProfessorinCagliari,ItalyandIstanbul,Turkey
2002 – 2008 HabilitationattheMaxPlanckInstituteforChemicalPhysicsofSolids,Dresden,Germany
2000 – 2002 PostdoctoralFellowattheMaxPlanckInstituteforSolidStateResearch,Stuttgart,Germanyand
theSwissFederalInstituteofTechnology(ETH),Zürich,Switzerland
1997 – 2000 PhDinTheoreticalBiochemistryattheTechnischeUniversitätDarmstadt,Germany
professor of theoretical chemistryprof. dr. dirK zahn
[email protected] • www.chemie.fau.de/zahn
51Department of Chemistry anD pharmaCy
P r o f e s s o r s
sELECtEd puBLiCations
• P.Ectors,P.Duchstein,D.Zahn,Cryst. Growth & Design 2014, 14,2972–2976
• D.Zahn,E.Bitzek,PLOS one 2014,9,e93309• M.Helmingeretal.,Adv. Funct. Mater. 2014,24,3187– 3196• C.M.Jaegeretal.,J. Am. Chem. Soc. 2013,135,4893 – 4900• D.Zahn,P.Heitjans,J.Maier,Chem. Eur. J. 2012,18,6225–6229• D.Zahn,Geophys. Res. Lett. 2011,38,L16319– L16322• D.Zahn,J.Anwar,Chem. Eur. J. 2011,17,11186–11192• D.Zahn,Angew. Chem. 2010,49,9405 – 9407• A.Kawska,P.Duchstein,O.Hochrein,D.Zahn,Nanoletters 2008,
8,2336 –2340
• A.Kawska,O.Hochrein,A.Brickmann,R.Kniep,D.Zahn,Angew.Chem. Int. Ed. 2008, 120,4982 – 4985
sELECtEd rEviEWs
• T.Milek,P.Duchstein,D.Zahn,Molekulardynamik:MitSimulationen Nanokristallenund-kompositenaufderSpur,Nachr. Chem. 2012, 3,868–871
• D.Zahn,Tacklingtime-reversibilityintransitionpathsamplingmoleculardynamicssimulations,Mol. Sim. 2012,38,211–217
• D.Zahn,Modelingmartensictransformationsincrystallinesolids:validityandredesignofgeometricapproaches,Z. Krist. 2011, 226,568–575
• D.Zahn,MolecularDynamicsSimulationofIonicConductors:PerspectivesandLimitations,J. Mol. Model. 2011, 17,1531–1535
• J.Anwar,D.Zahn,UncoveringMolecularProcessesinCrystalNucleationusingMolecularSimulation,Angew. Chem., Int. Ed. 2011,50,1996 –2013
• T.Milek,P.Duchstein,G.Seifert,D.Zahn,MotifReconstructioninClustersandLayers:BenchmarksfortheKawska-ZahnApproachtomodelCrystalFormation,Chem. Phys. Chem. 2010,11,847–852
sELECtEd aWards
• 2008HeisenbergFellowship
• Visitingprofessorshipawards(Italy,Turkey)
onmechanismsofnanocrystallinematter.Startingfromtheassoci-
ationofsingleions,accessibleinsightsrangefromthemechanisms
ofmotif formation, ripening reactions and the self-organization of
nanocrystals to interactions with growth-controlling additive mol-
eculesandtheformationofhybridmaterials.Onthisbasis,2)reliable
building rules for scale-upmodels are derived.By bridging length
scalesfromaggregatescountingafewhundredsofionstomodels
ofuptomillionsofatomswe3)pavethewaytotheinvestigationof
materialsproperties.
Ontheonehand,ourstudiesaddresssuspensionsofnanocrystals
withaparticularfocusontheirfunctionalizationbyadditivemolecules.
On the other hand, we explore the nucleation of biocomposites.
From this, scale-up models mimicking otoconia, enamel, dentine,
andbonematerials at the10nm length scale shall be developed
and subjected to detailed studies of mechanical properties and
deformation/fracture mechanisms. Thus, by bridging fundamental
physicalchemistryandmaterialsscience,abottom-to-topapproach
ispursuedtoopenanewperspectivetotheprofoundunderstanding
of complex nanomaterials and the characterization of its peculiar
propertiesfromcomputersimulation.
Moreover,we explore themechanisms of reactions in solution
andinthesolidstate,themechanismsofself-organizationprocesses
andthenucleationmechanismsofaseriesofphasetransitionsand
theirinterplaywithphasesegregation.
pErspECtivEs
We wish to boost bottom-to-top strategies for nanomaterial
syntheses by mechanistic understanding elaborated from atomi-
sticsimulations.Alongthisline,weexplorenanocrystalgrowth,the
self-organizationofadsorbatemoleculesandtheformationofcom-
posites, particularly biomimeticmodels to boneand teeth. For the
latterclassofcompounds,wealsoexploreatomicscaleprocesses
involvedindeformation,fatigue,andfracture.
By furtherdevelopmentandapplicationofadvancedmolecular
dynamics simulation methods, we wish to tackle the time-length
scale limitations of complex systems. From this, new insights
intomolecular self-organization and reactionmechanismsare en-
visaged.
52 Profile 2014
P r o f e s s o r s
oBjECtivEs
Attheaimofdiscoveringnovelmolecularprobesanddrugcan-
didates, Peter Gmeiner’s group investigates design, chemical syn-
thesis, andpharmacologicalproperties selective ligands forGpro-
tein-coupled receptors. In this context, radioligandbinding studies,
X-raycrystal structuresand functionalassays reveal thestructural
originsofsubtypeselectivity,intrinsicactivityandbiasedsignalling.
Withinthesetopics,theGmeinerlaboratoryhasproovessubstantial
experienceinthedesign,organicsynthesis,andbiologicalinvestiga-
tionofbioactivemoleculesandcontributes tohighlyattractivede-
velopmentsinCNS-activedrugs.
sCiEntifiC BaCKground
Prof.Dr.PeterGmeinerreceivedhisPhDin1986fromtheUni-
versityofMunich.HewasaPostdocattheUniversityofCaliforniain
Berkeley,USA.He subsequently returned toMunichas a research
associate.In1992,hewasappointedattheUniversityofBonnasa
ProfessorofPharmaceuticalChemistrydeclininganofferforapro-
fessorshipattheUniversityofHeidelberg,atthesametime.Dated
ofOctober1996,hehasbeenchairedFullProfessorofPharmaceuti-
calChemistryattheUniversityofErlangen-Nürnberg.In2008,Peter
Gmeinerhasbeenelectedas thechairmanof thePharmaceutical/
MedicinalChemistrySectionoftheGermanPharmaceuticalSociety
(DPhG). Peter Gmeiner has a track record ofmore than 200 pub-
lications in peer-reviewed scientific journals includingpatents and
patentapplications.HeservesasrefereefortheGermanResearch
Foundation (DFG), theAlexandervonHumboldt-Foundationandthe
DAADandformorethan20toprankedjournalsinthefieldsofChem-
istry and Pharmacology. He is an Editorial and International Ad-
visory BoardMember of scientific journals including Bioorganic &
MedicinalChemistry,Bioorganic&MedicinalChemistryLetters,and
ChemMedChem.PeterGmeiner’sresearchspansthedesign,organic
synthesisandpharmacologicalinvestigationofbioactivemolecules.
CurriCuLum vitaE
since 1999 UniversityFullProfessor,ChairofMedicinalChemistryattheUniversityofErlangen-Nürnberg,Germany
1994 – 1996 ProfessorofMedicinalChemistryattheUniversityofBonn,Germany
1988 – 1994 ResearchAssociateattheLudwig-Maximilians-UniversitätMünchen,Germany
1987 – 1988 PostdocattheUniversityofCaliforniainBerkeley,USA
chair of medicinal chemistryprof. dr. peter gmeiner
[email protected] • www.medchem.fau.de/gmeinerlab
53Department of Chemistry anD pharmaCy
P r o f e s s o r s
Prof.PeterGmeineristhespokesmanoftheResearchTrainingGroup
“MedicinalChemistryofSelectiveGPCRLigands”(GRK1910).
rEsEarCh highLights
G-Proteincoupledreceptors(GPCRs)areofparticularinterestas
pharmaceuticaltargetproteinsinMedicinalChemistrysincealarge
number of diseases canbe treatedby selectiveGPCRagonists or
antagonists. Peter Gmeiner’s group investigates design, chemical
synthesisandpharmacologicalpropertiesofsubtype-selectiveGPCR
ligands.Usinganintegrativeapproach,thegroupdevelopsmolecular
probestounderstand,controlandengineerreceptor-ligandbinding,
selectivityandfunction.TheGmeinerresearchgroupinvestigatesal-
lostericallyregulatedtargetproteinsincludingthedopaminereceptor
subtypesD2long,D2short,D3andD4asvaluablemodelsystems.
On thecourseof these investigations,we found thefirst familyof
receptorligandsthatselectivelydisplay(neutral-)antagonistproper-
tiesatthedopamineD4receptor.Behavioralpharmacologicalinves-
tigationsindicatedatypicalantipsychoticactivitiesfortheazaindole
derivative FAUC 213. Heterocyclic carboxamides of the type FAUC
346andFAUC365asanalogsoftheleadcompoundBP897were
developedintheGmeinerLaboratoryasvaluablecompoundsforthe
treatment of cocaine abuse. In vivo investigations that were per-
formedat theNational InstituteofDrugAbuse (NIDA) inBethesda,
USA, revealed diagnostic biological properties in animal models.
Whenweexploredthebindingsitecreviceofthedopaminereceptor,
novelatypicalarenebioisosterescouldbedesigned,whichhadnot
beeninvestigatedindrugdiscovery,yet.Asanexample,metallocene
and paracyclophane derived bioisosteres showed excellent ligand
bindingproperties.
pErspECtivEs
AlthoughG-proteincoupledreceptors(GPCRs)havebeenstudied
extensively in the past, our understanding of their function at the
molecular level is still incomplete. It has been shown that GPCRs
mediatediversesignal-transductionpathwaysbysimilarmechanisms
by binding a variety of ligands and G-proteins. Their interaction
withagonistsleadstoalow-affinityconformationoftheactivestate
that is thought to facilitateG-proteinbinding.Only in thepresence
of both agonist and G-protein is the high-affinity receptor state
formed, which promotes signal transduction. The β2-adrenergicreceptor(β2AR),whichrepresentsanimportanttargetforcardiacandasthmadrugs,isanextensivelystudiedmodelsystemforthelarge
superfamilyofG-proteincoupledreceptors(GPCRs).Toovercomere-
lativelyrapidassociationanddissociationratesofcommercialβ2ARagonists,ourstrategydependsonacombinationonacovalentβ2ARagonist incorporating a β2-adrenergic agonist core and a reactivechemicalgroupthatcouldbetargetedtoaspecificresidueonthe
receptor.Employingthestructureofthecarazolol-boundβ2ARasatemplate, a flexible linkerwas added to bridge these two compo-
nents.Thus,thecovalentattachmentwouldnotinhibitbindingofthe
agonistcoreorconformationalflexibilityofthetransmembranehe-
lices.Thecovalentβ2AR-agonistcomplexformedefficiently,andwasabletoactivateaheterotrimericGprotein.Acovalentagonist-bound
β2AR–T4Lfusionproteincouldbecrystallizedanddeterminedforitsstructure.Applyingournewlydevelopedmethodology,wecouldde-
termineactive-statecrystalstructuresofthemuscarinicM2receptor
and the β2AR inpresenceof a covalent adrenalineanalog, in col-laborationwithProf.BrianKobilkaat theDepartmentofMolecular
Physiology/Stanford University. Our current projects aim to exploit
thecovalentligandstrategytothediscoveryofhighlyinnovativeGP-
CR-ligandcomplexesinmultipleactivationstates.Takingadvantage
ofsuchstructuralinformation,weaimtodevelophighlyspecifical-
lostericligands,biasedagonistsandbivalentmodulators.
sELECtEd puBLiCations
• D.Weichert,A.C.Kruse,A.Manglik,C.Hiller,C.Zhang,H.Hübner, B.K.Kobilka,P.Gmeiner,Proc. Natl. Acad. Sci. USA 2014,111,10744–10748
• D.Möller,R.C.Kling,M.Skultety,K.Leuner,H.Hübner,P.Gmeiner, J. Med. Chem. 2014,57,4861– 4875
• A.C.Kruse,A.M.Ring,A.Manglik,J.Hu,K.Hu,K.Eitel,H.Hübner,E.Pardon,C.Valant,P.M.Sexton,A.Christopoulos,C.C.Felder,P.Gmeiner,J.Steyaert,W.I.Weis,K.C.Garcia,J.Wess,B.K.Kobilka,Nature 2013,504,101–106
• N.Tschammer,J.Elsner,A.Goetz,K.Ehrlich,S.Schuster,M.Ruberg, J.Kühhorn,D.Thompson,J.Whistler,H.Hübner,P.Gmeiner,J. Med. Chem. 2011,54,2477–2491
• D.M.Rosenbaum,C.Zhang,J.A.Lyons,R.Holl,D.Aragao,D.H.Arlow, S.G.F.Rasmussen,H.-J.Choi,B.T.DeVree,R.K.Sunahara,P.S.Chae, S.H.Gellman,R.O.Dror,D.E.Shaw,W.I.Weis,M.Caffrey,P.Gmeiner, B.K.Kobilka,Nature 2011,469,236 – 240
• S.Maschauer,J.Einsiedel,R.Haubner,C.Hocke,M.Ocker,H.Hübner, T.Kuwert,P.Gmeiner,O.Prante,Angew. Chem. Int. Ed. 2010,49,976 – 979
sELECtEd rEviEWs
• StefanLöber,HaraldHübner,NuskaTschammer,PeterGmeiner,Recent advances in the search for D3- and D4-selective drugs: probes, models and candidates,TrendsPharmacol.Sci.,2011,32,148– 157
• F.Boeckler,P.Gmeiner,TheStructuralEvolutionofDopamineD3ReceptorLigands––Structure-ActivityRelationshipsandSelectedNeuropharmacological
Aspects., Pharmacology & Therapeutics 2006,112,281–333
sELECtEd aWards
• Johann-Wolfgang-DöbereinerPrizeoftheDPhG
• PhoenixPharmazieWissenschaftspreis
54 Profile 2014
P r o f e s s o r s
oBjECtivEs
Tomodulateproteinfunctionthroughcontrolledinterferencewith
theunderlyingmolecular interactions.Thefocusofourresearch is
ontheexplorationandinhibitionofprotein-proteininteractionsusing
syntheticbindingsitemimics.
sCiEntifiC BaCKground
Essentially all biological processes are based on specific bin-
ding events,which are initiatedbymolecular recognition between
bio-macromolecules.Thedesignandgenerationofmolecules,which
canmimicthebindingand/orfunctionalsitesofproteins,represents
apromisingstrategyfortheexplorationandunderstandingofprotein
structureandfunction.Inadditiontothisbasicsignificance,suchmi-
meticmoleculesarealsousefultoolsforarangeofbiomedicalappli-
cations,particularlythedevelopmentofinhibitorsoftherapeutically
relevant protein-protein interactions.Synthetic peptidesare apro-
misingtypeofmoleculesforproteinbindingsitemimetics,asthey
canbegeneratedasexactcopiesofproteinfragments,aswellasin
diversechemicalmodification,includingtheincorporationofbuilding
blocks other than the proteinogenic amino acids.These variations
not only increase the chemical diversity presented by synthetic
peptides,butalsotheirmetabolicstability,makingthembetterdrug
candidates.
rEsEarCh highLights
Entryof theAIDSvirusHIV-1 into itshostcells ismediatedby
aprecisecascadeofmolecular interactionsbetweenviralproteins
and cellular receptors. Attachment of the HIV-1 exterior envelope
glycoproteingp120to thecoreceptorsCXCR4andCCR5 isapivo-
tal element of this entry process.Recently,wehave extended the
scopeofusingscaffoldedandassembledpeptidesforthesynthetic
CurriCuLum vitaE
since 2008 UniversityProfessorofMedicinalChemistryattheUniversityofErlangen-Nürnberg,Germany
2004 HabilitationinBioorganicChemistryatTechnischeUniversitätBraunschweig,Germany
2000 – 2008 GroupLeaderatHelmholtzCentreforInfectionResearch,Braunschweig,Germany
1991 – 1998 PostdoctoralFellow,ResearchScientist,AssistantMember,TorreyPinesInstituteforMolecularStudies,SanDiego,USA
1991 PhDatHumboldt-University,Berlin,Germany
professor of medicinal chemistryprof. dr. jutta eichler
[email protected] • www.medchem.fau.de/eichlerlab
55Department of Chemistry anD pharmaCy
P r o f e s s o r s
mimicryoflarge,discontinuousproteinbindingsites,totheextracel-
lulardomainof theHIV-1coreceptorCXCR4,whichbelongs to the
familyofGPCRs.ThefunctionalityoftheCXCR4mimeticpeptidewas
demonstratedbyitsaffinitytoHIV-1gp120,and,moreimportantly,
byitsabilitytodiscriminatebetweengp120fromX4-andR5-tropic
HIV-1inbindingassaysinvolvingrecombinantproteins,aswellasin
cellularinfectionassays.Apartfromtheirpotentialbiomedicalappli-
cations,suchmoleculesareusefultoolsfortheexplorationofHIV-1
tropismatthemolecularlevel.Furthermore,wecouldshowthatthe
interactionof gp120withCXCR4canbe functionallymimickedby
peptidespresenting thebinding sites of the twoproteins for each
other,i.e.,theV3loopofgp120andthethreeextracellularloopsof
CXCR4.
pErspECtivE
Our ongoingand future researchplans include thedesignand
generationofhybridmoleculesthattargettwoormoreprotein-pro-
tein-interactionssimultaneously,aswellasprobing theconceptof
mimicking protein-protein interactions by peptide-peptide interac-
tionsinthecontextofotherproteins.Furthermore,wewanttoad-
dresstherelationshipoffunctionalandstructuralmimicry, i.e., the
questionwhetherproteinbindingsitemimicsareabletoadoptstruc-
turesthatresembletheirarrangementwithinthestructuralcontextof
theproteintheyaredrivedfrom,andwhethersuchstructuralanalogy
correlateswith the affinity to the respective ligand.The goal is to
understand thestructural features thatgovern theaffinityof these
mimicy,whichwillinturnguidethedesignofimprovedmolecules.
sELECtEd puBLiCations
• A.Berthelmann,J.Lach,M.A.Gräwert,M.Groll,J.Eichler,Org.Biomol.Chem. 2014, 12(16),2606–2614
• A.Groß,K.Möbius,C.Haußner,N.Donhauser,B.Schmidt,J.Eichler, Frontiers in Immunology 2013• J.Meier,K.Kassler,H.Sticht,J.Eichler,Beilstein J.Org.Chem. 2012, 8,1858–1866
• C.Haußner,K.Möbius,J.Eichler,Bioorg.Med.Chem.Lett. 2012, 22,6099– 6102
• K.Möbius,R.Dürr,C.Haußner,U.Dietrich,J.Eichler,Chem.Eur.J. 2012, 18,8292– 8295
• R.Franke,T.Hirsch,H.Overwin,J.Eichler,Angew. Chem. Int. Ed. 2007, 46(8),2007,1253–1255
sELECtEd rEviEWs
• K.Möbius,J.Eichler,HIV-derivedpeptidemimics,Drug Discovery Today: Technologies, 2009,6,(1– 4),e19-e25
• J.Eichler,Peptidesasproteinbindingsitemimetics.Curr. Opin. Chem.Biol. 2008,12,707– 713
• J.Eichler,SyntheticPeptideArraysandPeptideCombinatorialLibraries fortheExplorationofProtein-ProteinInteractionsandtheDesignofProteinInhibitors,Comb. Chem. High Throughput Screen. 2005, 8(2),135 – 143
sELECtEd aWards
• 2001BioFutureAwardoftheGermanFederalDepartmentofEducationandResearch(BMBF)
56 Profile 2014
P r o f e s s o r s
oBjECtivEs
Our group is interested in the development of new radical
reactionsandtheirapplicationinthefieldsofmedicinalchemistry,
radiochemicallabellingandimaging,environmentalchemistry,agro-
chemistryandnaturalproductsynthesis.
sCiEntifiC BaCKground
Theapplicabilityoforganicradicalchemistryisstillrestrictedby
thefactthatevennewlydevelopedreactionsdependontheuseof
toxicingredients.Inaddition,radicalchemistryiswidelybelievedto
benon-selectiveandthereactioncoursetobedifficulttocontrol.Not
surprisingly,onlyveryfewradicalreactionscanbefoundamongthe
industrialprocessesusedforthepreparationofpharmaceuticalsub-
stances.Against thisbackground, thesyntheticpotentialof radical
reactionsappearstobebyfarnotexploited.
Wethereforefocusonthedevelopmentofradicalreactionswhich
can be conducted under verymild and simple reaction conditions
withsolventssuchaswater.Tomaintainawideandgeneralapplica-
bility,ouraimisuseonlynon-toxicmetalsormetal-freeconditions.
rEsEarCh highLights
Inthepastfiveyearswehavebeenabletoshowthatreactions
proceedingviaarylradicalspossessafargreaterpotentialinorganic
synthesisthanwasknownbefore.Theradicalsweregeneratedun-
derwell-definedreactionconditionswhichenablethemtoundergo
selectiveadditionreactionstovarioussubstrates.Inafirststepnew
methodologiesfor the intermolecularcarboaminationandcarbohy-
droxylationofolefinscouldbedeveloped.Laterwe found that im-
provedprotocolswheretheuseofwaterassolventplaysakeyrole,
evenallowthe functionalizationofaromaticsubstrates.With these
CurriCuLum vitaE
since 2009 UniversityProfessorofMedicinalChemistryattheUniversityofErlangen-Nürnberg,Germany
2005 – 2009 Habilitation,TechnischeUniversitätMünchen(TUM),Germany
2003 – 2005 PostdoctoralFellow,EcolePolytechnique,Palaiseau,France
2000 – 2003 PhDinChemistry,Ludwig-Maximilians-UniversitätMünchen(LMU),Germany
1995 – 2000 DiplomainChemistry,Ludwig-Maximilians-UniversitätMünchen(LMU),Germany
professor of medicinal chemistryprof. dr. marKus heinrich
[email protected] • www.medchem.fau.de/heinrichlab
57Department of Chemistry anD pharmaCy
P r o f e s s o r s
new synthetic opportunities in hands several important products
becameaccessibleinfewerstepsandfarmoreefficientlythanbe-
fore.ApplicationsincludethediagnosisandtreatmentofAlzheimers
diseaseaswellasthesynthesisofantimalarialsandagrochemicals.
pErspECtivEs
Ourfutureresearchisaimedatthediscoveryofnew,ideallymetal-
free, radical reactions possessing a broad applicability in organic
andmedicinalchemistry. Inadditionwearecurrently investigating
thecombinationofoursyntheticmethodswiththeimportant issue
ofwaste reduction. So far unknown synthetic transformations are
goingtobeevaluatedwithrespecttotheirpotentialuseincombina-
torialsynthesesofcompoundlibraries.Finally,biologicaltestingwill
beperformed for theelucidationofstructure-activity relationships.
Inthiswaywehopetoopenupnew,efficientandenvironmentally
benignways of access to important chemical products, especially
pharmaceuticals.
sELECtEd puBLiCations
• S.Fehler,S.Maschauer,S.Höfling,A.Bartuschat,N.Tschammer,H.Hübner,P.Gmeiner,O.Prante,M.R.Heinrich,Chem. Eur. J. 2014,20,370– 375
• C.deSalas,M.R.Heinrich,Green Chem. 2014,16,2982–2987
• G.Pratsch,T.Wallaschkowski,M.R.Heinrich,Chem. Eur. J. 2012, 18,11555 –11559
• S.B.Höfling,A.L.Bartuschat,M.R.Heinrich,Angew. Chem. Int. Ed. 2010, 49,9769 – 9772
• A.Wetzel,V.Ehrhardt,M.R.Heinrich,Angew. Chem. Int. Ed. 2008, 47,9130–9133
• A.Wetzel,V.Ehrhardt,M.R.Heinrich,Angew. Chem. Int. Ed. 2008, 47,9130 –9133
• M.R.Heinrich,O.Blank,S.Wölfel, Org. Lett. 2006, 8,3323 – 3325
sELECtEd rEviEWs
• M.R.Heinrich,Intermolecularolefinfunctionalizationsinvolvingarylradicalsgeneratedfromarenediazoniumsalts,Chem. Eur. J. 2009,15,820 – 833
sELECtEd aWards
• 2008ADUCPrizeoftheYear
58 Profile 2014
P r o f e s s o r s
oBjECtivEs
The goal of our research is to understand how chemistry and
physiologyinteractinnutrition.
sCiEntifiC BaCKground
As a food chemist, I am convinced that we need to combine
profoundknowledgeinchemistryaswellasphysiologyinorderto
understandhowfoodinteractswiththehumanorganism.Therefore,
IworkedinachemistrylabformyPhDbeforejoiningworkgroups
interestedinthemolecularbasisofdiseasesaspostdoctoralfellow
andvisitingassistantprofessor.Thisexperiencetaughtmethatthe
majorchallengeinfoodchemistryisthecomplexityarisingfromthe
interactionofadiverseandheterogeneouschemicalsystemwitha
diverse and heterogeneous biological system. As a consequence,
systematicapproachesarerequiredonthechemicalaswellasbio-
logicalinterfacetounderstandthediversityofphysiologicalreactions
causedbyfoodcomponents.Forafoodchemist,thermallyprocessed
food isparticularly fascinatingaswellaschallenging,becausethe
complexnaturalcompositionofafooditemisconsiderablymultiplied
by a network of thermally induced reactions among amulti-com-
ponentsystem. Inthiscontext, thedevelopmentandapplicationof
novel,highlysensitiveanalyticaltechniquesisaprerequisitetofully
comprehendthechemicalcompositionofa food item.Onthe long
run, the understanding how complex food systems interact with
thehumanorganismwillcatalyzethedevelopmentofnewfoodpro-
ductswithcustom-tailoredfunctionality.
rEsEarCh highLights
Thereareseveralapproachestofacethechallengeofthechemi-
calcomplexityoffoodinphysiologicalreactions.Inordertoevaluate
CurriCuLum vitaE
since 2004 UniversityFullProfessor,ChairofFoodChemistryattheUniversityofErlangen-Nürnberg,Germany
1999 – 2004 AssociateProfessorattheUniversityofErlangen-Nürnberg,Germany
1997 – 2000 VisitingAssistantProfessorattheColumbiaUniversity,NewYork,USA
1995 – 1999 AssistantProfessorattheLudwig-Maximilians-Universität,München(LMU),Germany
1994 – 1995 PostdoctoralFellowattheCaseWesternUniversity,Cleveland,USA
1994 PhDinFoodChemistry,Ludwig-Maximilians-Universität,München(LMU),Germany
chair of food chemistryprof. dr. moniKa pischetsrieder
[email protected] • www.chemie.fau.de/pischetsrieder
59Department of Chemistry anD pharmaCy
P r o f e s s o r s
theinfluenceofcoffeeontheguthealth,activity guided fractionation
ledtotheidentificationofhydrogenperoxideasthecytotoxiccompo-
nentofroastedcoffee.Usingasynthesized substructure library as an
alternativeapproach,aminoreductoneswereidentifiedasmajorim-
munomodulatingcompoundsinroastedcoffee.Bioactiveproteins,on
theotherhand,canneitherbemasteredbyactivityguidedmethods
nor by synthesized libraries.Therefore, amethod fornon-targeted
proteome analysis was developed which allowed the systematic
mappingofnonenzymaticposttranslationalmodifications(nePTMs)
inthemilkproteome.Furthermore,non-targetedproteomeanalysis
openedaninsightintothelowmolecularweightpeptidomeofmilk
leadingtotheidentificationofnovelbioactivepeptides.
Anotherscientificfocusoftheworkgroupistheinteractionbe-
tweenfoodcomponentsandneurofunction,whichisstudiedinthe
interdisciplinaryEmergingFieldProject“Neurotrition”.Incooperation
betweenfoodchemistsandneuroscientists,itwasdemonstratedfor
examplebymagneticresonanceimaging,howsnackfoodmodulates
brainactivitypatternleadingtochangesinfoodintake.
pErspECtivEs
Duringthelastyears,wewereabletogainalotofinformationon
thechemicalcompositionofournutrition.Themajorfuturechallenge
willbetolinkthisinformationtothecomplexphysiologicalandbio-
logicalconsequences.Similar tothechemical interface,novelsys-
tematicandnon-targetedapproacheswillberequiredtounderstand
thediversityofphysiologicalreactionstofood.
sELECtEd puBLiCations
• F.Baum,M.Fedorova,R.Hoffmann,M.Pischetsrieder,J. Proteome Res. 2013, 12,5447– 5462
• T.Hoch,S.Kreitz,S.Gaffling,M.Pischetsrieder,A.Hess,PLoS ONE 8 2013, 2,55354
• J.Meltretter,J.Wüst,M.Pischetsrieder,J. Agric. Food Chem. 2013, 61,6971– 6981
• S.Mittelmaier,M.Pischetsrieder, Anal. Chem. 2011,83,9660 –9668• A.Wühr,M.Deckert,M.Pischetsrieder,Mol. Nutr. Food Res. 2010,
54, 1021–1030• J.Hegele,G.Münch,M.Pischetsrieder,Mol. Nutr. Food Res. 2009,
53,760 –769
sELECtEd rEviEWs
• M.Pischetsrieder,T.Henle,Glycationproductsininfantformulas––chemical,analytical,andphysiologicalaspects,Amino Acids 2012,42,1111–1118
• M.Pischetsrieder,R.Bäuerlein,Proteomeresearchinfoodscience, Chem. Soc. Rev. 2009, 38,2600 –2608
• C.Bidmon,M.Frischmann,M.Pischetsrieder,AnalysisofDNA-bound advancedglycationend-productsbyLCandmassspectrometry, J. Chromatogr. B 2006, 55,51– 58
• T.Kislinger,A.Humeny,M.Pischetsrieder,Analysisofproteinglycationproductsbymatrix-assistedlaserdesorptionionizationtime-of-flightmassspectrometry Curr. Med. Chem. 2004,11,16,2185 – 2193
sELECtEd aWards
• 2007ForprionResearchAward
• 2007CofrescoResearchPrize
• 1996BayerischerHabilitationsförderpreis
60 Profile 2014
P r o f e s s o r s
oBjECtivEs
The Büttner research group undertakes to investigate topics
relatingtotheanalysisandcharacterisationofaromasandsmells,
as well as non-odorous volatiles encountered in everyday life.
Identification of novel substances and a characterisation of their
smellpropertiesbasedonstructure-odouractivityconsiderationsare
key aspects of thiswork.Novel smells are created and strategies
are developed for the avoidance of unwanted smells based on a
combined chemo-analytical and human-sensory decoding of the
underlying substances.We elucidate the formation and liberation
pathwaysof odorants anddevelop techniques for controlling such
processes,bothinfoodsaswellasnon-foodmaterials.
Our odour research encompasses the entire chemo-analytical
sideofodorantcharacterisationusingexperimentaltoolssuchashigh
resolutiontwo-dimensionalgaschromatography-massspectrometry
coupledtoolfactometry(HR-2D-GC-MS/O),onlinemassspectrometric
gasphaseanalysis,e.g.,inbreatharomamonitoring,andstable-iso-
topedilutionassays(SIDA)analysisforquantificationof traceodour
compounds;furthermore,weendeavourtomonitor,characterise,and
positivelyinfluencethehumanresponsestoodourexposure/percep-
tion,bothonaphysiologicaland/orpsychological-behaviouralbasis.
Consequently,ourstudiesare focussedon investigating theun-
derlyingprocessesinhumanodorantperceptionandhowtheseare
rated,withanaimtobroadenourunderstandingofbehaviouralres-
CurriCuLum vitaE
since 2012 UniversityProfessorofAromaResearchattheUniversityofErlangen-Nürnberg,Germany
since 2007 HeadofDepartmentofSensoryAnalytics,FraunhoferInstituteforProcessEngineeringandPackagingIVV,Freising,Germany
2007 – 2012 AssistantProfessorandHeadofaBMBFJuniorResearchGroupattheUniversityofErlangen-Nürnberg,Germany
2006 HabilitationatTechnicalUniversityofMunich(TUM),Germany
2002 – 2006 InternshipforExcellentJuniorResearchers(HWPII)attheTechnicalUniversityofMunich(TUM),Germanyand
oftheGermanResearchCommunityattheGermanResearchCenterforFoodChemistry(DFA),Garching,Germany
1999 – 2002 PostdoctoralFellowatDFA,Garching,GermanyandtheInstituteforFoodChemistry,TUM,Germany
1999 PhDinFoodChemistry,TechnischeUniversitätMünchen(TUM),Germany
professor of aroma researchprof. dr. andrea Büttner
[email protected] • www.chemie.fau.de/buettner
61Department of Chemistry anD pharmaCy
P r o f e s s o r s
ponsesthatareassociatedwithacceptance,preferenceorrejectionof
smellsorsmell-associatedmaterialsandsituations.
sCiEntifiC BaCKground
Odourexposure, for instance in foodaromasormaterialoren-
vironmentalemissions,isonefacetofthediversesensoryfactorsthat
maystrongly impacthumansduring theireveryday life,albeitoften
beingperceivedquiteunconsciously,whichhasledtothesensation
ofsmelltobewidelyratedasbeingofcomparativelylowerrelevance
thanothersensations,e.g.,soundorvision.
Ontheotherhand,smellsplayacrucialroleinshapingourlives.
Frombirthwelearntointeractwithourenvironmentusingoursense
of smell. Evolutionary processes have engendered a multi-faceted
communicationthatissupported––evendominated––byolfaction.
Today, humans are increasingly exposed to smells that were
notencounteredbyourancestors.Theseareubiquitous inourpre-
sent-day environment and aremet in all aspects of daily life,with
sourcesrangingfrommanmadematerials,industry,cars,household
products,etc.;thelistispracticallyendless.Surprisingly,odorousmol-
eculesresponsibleformodernsmellsareoftenunknown,asistheir
influenceonperception,physiologyandwellbeing.Thisisespecially
trueforsmellsthatareencounteredineverydaylivingandworking
situations.Inparticular,humansareexposedtoawholehostofsmells,
e.g.,whilstcommuting,duringperiodsatworkorschool,orwhencon-
ductingotherphysicalactivities,allcommonlyinindoorenvironments.
rEsEarCh highLights
Acomprehensivetreatmentofmodernsmellsandtheirimpacton
humanlifecurrentlydoesnotexist.ThetworesearchgroupsofProf.
BüttneratUniversityofErlangenandFraunhofer IVValign thesen-
so-chemo-analyticalcharacterisationofeverydaysmellsencountered
bymankindwiththeelucidationofperceptual,hedonic,behavioural
andphysiological responsesof humans to suchodoursat different
stagesoflife.
Inviewofthis,ourgroupsinvestigatephysiologicalandpsycho-
logicaleffectsofodorantsonhumans,specificallyinrelationtofoods
butalsonon-foodmaterialssuchaspolymersandplasticmaterials
andothermaterials thathumansencounter inevery-day life.Some
ofourrecentstudieshavedealtwiththecharacterisationofodorants
by sensory and chemo-analytical techniques such asHR-GC-MS/O
andSIDA.Thereby,wehavereportedforthefirsttimeonspecificex-
tremelypotentodorantsthatcouldbeidentifiedassourcesofcom-
monodournuisancesindailylife.Structure-odouractivityrelationship
studies have targeted diverse substance groups such as alkylated,
halogenated and methoxylated phenols, homologous enones and
dienonesaswellastheircorrespondingalcohols,tonamebutafew.
Characterisationofuptakeandmetabolismprocesseswithinthehu-
manbodyhasbeenachievedininvivoaswellasinvitrostudies,and
is thebasis for investigatingotherphysiologicaleffectsofodorants
invivoandinvitrosuchastheactivationofbrainreceptorsystems
involvedinsedativeandanxiolyticprocesses.
Moreover,theimmediateaswellasthepost-oralorpost-inhala-
tionhuman-physiologicalandbehaviouralresponsestoodorantsare
monitored, for example, by biofeedback parameters such as elec-
troencephalography(EEG),heartrate,breathingpatterns,aswellas
mimicanalysis.Unconsciousprocessingandresponseofhumansto
odorantexposure is therebyanother important topicofour jointre-
searchgroups,asistheindividualodourratingbasedoninter-indivi-
dualdifferencesinolfactoryskillsandpersonalexperience.
pErspECtivEs
• Characterisationofodorantsrelevanttohumanfood,
non-foodmaterialsandtheenvironment
• Resorption,transferandmetabolismprocesses
ofodorantsinhumans
• Physiologicalandpsychological/behavioural
responsesofhumansfromodorantexposure
sELECtEd puBLiCations
• A.Heinlein,M.Metzger,H.Walles,A.Buettner, Food Funct. 2014,3,318–335• C.Siefarth,Y.Serfert,S.Drusch,A.Buettner, Foods 2014,3,30 – 65• K.Lorber,P.Schieberle,A.Buettner, J. Agric. Food Chem. 2014,62,1025–31• M.Wagenstaller,A.Buettner,Metabolites 2013,3,637– 657• C.Hartmann,A.Triller,M.Spehr,R.Dittrich,H.Hatt,A.Buettner,
ChemplusChem 2013,78,695 – 702• F.Kirsch,K.Horst,W.Röhrig,M.Rychlik,A.Buettner, Metabolomics 2013,
9,483– 496
• A.Kessler,C.Villmann,H.Sahin,M.Pischetsrieder,A.Buettner, Flavour Fragr. J. 2012,27,297–303
• M.Czerny,R.Brueckner,E.Kirchhoff,R.Schmitt,A.Buettner,Chem. Senses 2011, 36,539 –553
• A.Buettner,A.Beer,C.Hannig,M.Settles, Chem. Senses 2001,26,1211–1219
sELECtEd aWards
• 2013NutriciaWissenschaftspreis
• 2012DanoneInnovationPrize
• 2011YoungInvestigatorAwardFoodandAgriculturalDivision,American ChemicalSociety(ACS)
• 2010Kurt-TäufelAwardforYoungScientists,SocietyofFoodChemistry(LChG),GermanChemicalSociety(GDCh)
• 2004FirmenichFlavorandFragranceScienceAward
• 1999WeurmanFlavourBestPoster-Award
62 Profile 2014
P r o f e s s o r s
oBjECtivEs
Theultimategoalinpharmaceuticsiseasytodeclare:let’sde-
liveradrugtoitsmolecularsiteofactionintherightdoseattheright
time.Achieving this goal is quite anothermatter.We specialize in
allaspectsof thedevelopment,manufacture,andpharmacokinetic
behaviourof classicandmoremoderndrugdeliverysystems.Our
goalistoensurethattheyperformasrequiredtogivetheoptimum
therapeuticeffect.
sCiEntifiC BaCKground
My PhD research work was only marginally related to phar-
maceutics–– Iworkedon thecolloidalstabilityofemulsionssuper-
visedbyTharwatTadros inLondon. Itwas inLosAngeleswhere I
firstbecameinvolvedinthetransdermaldeliveryofdrugs.Igained
muchexpertiseinthein vitromeasurementofdrugpermeationrate
throughexcisedmembranesofhumanskin.WhenIstartedinHei-
delberg,Iexpandedthisresearchareagreatlytoincludeadetailed
studyofhowthebarrierpropertyofhumanskinisrelatedtoitsmor-
phologyatthecellularandmolecularlevels.AftermovingtoErlangen
Idevelopedafurthermajorresearchareaintheprocessengineering
ofproteinsforuseindrugproducts.Themajorthrustistodetailthe
damagingeffectsofoperationalprocessesonthemolecularstruc-
tureofproteins.Theoperationsarethoseinvolvedintheprocesses
of spray-dryingand freeze-dryingand includeatomization,droplet
dryingandparticleformationandparticlecollection.Inthepastcou-
pleofyearsafurtherresearchinteresthasdevelopedoutofcontact
toBiomedicalEngineeringinOxford.Thisisthedesignandprepara-
tionofnanoparticulatestructures thatshow inertialcavitation ina
low-energyultrasonicfield.Theuseofnanoparticlesasdrugdelivery
CurriCuLum vitaE
since 1993 UniversityFullProfessor,ChairofPharmaceuticalTechnologyattheUniversityofErlangen-Nürnberg,Germany
1986 – 1993 ProfessorofPharmaceuticalTechnoloyattheUniversityofHeidelberg,Germany
1984 – 1986 AssistantProfessor,CollegeofPharmacy,UniversityofIllinois,Chicago,USA
1983 – 1984 Alexander-von-HumboldtStipendiat,UniversityofRegensburg,Germany
1980 – 1983 PostdoctoralResearchFellow,UniversityofSouthernCalifornia,LosAngelesandUniversityofNorthCarolina,
ChapelHill,USA
chair of pharmaceuticsprof. dr. geoffrey lee
[email protected] • www.chemie.fau.de/lee
63Department of Chemistry anD pharmaCy
P r o f e s s o r s
systemshasbecomeabigissueinpharmaceuticsresearch;thede-
signofsonosensitivepolymericor inorganicnanoparticles isnovel
andpromising,buthighlychallenging.
rEsEarCh highLights
Imanagethreeresearchgroups.
1. Biologic Particles: microparticles containing biological mol-
eculessuchasproteinsordiagnosticreagentsaredesigned,manu-
factured and characterized. The production processes are spray-
drying,sprayfreeze-dryingandcryopelletizationwithwhichwehave
extensiveexpertise.Foreachbiomoleculeasuitable formulation is
developedandprocessingconditions identifiedbutproducemicro-
particleshavingtherequiredproperties.Ofstronginterest(alsofor
industry) is the use of spray-drying to produce flowable, storage-
stableproteinparticlesasanalternativetofreeze-dryingofbulk.The
particle formation process and the kinetic changes occurring to a
protein––unfolding,aggregation,inactivation––areresearchedusing
singledropletacousticlevitation.Thesecondcurrentinterestisthe
useofcryopelletizationtoproducelargemicroparticles(>1000µm
indiameter)ascarriersfordiagnosticagents.
2. Thin Films & Membranes: thismeans transdermal drug de-
livery. The thin films aspect involves research into thin self-ad-
hesivepolymericfilmswhosedrugreleaserateiscontrolledbythe
saturationsolubilityofthedrugwithinthepolymer.Byreducingsa-
turationsolubility in thepolymer, thedrug releaseandpermeation
ratethroughanadjacentskinmembranecanbeenhanced.Thishas
great potential applications to allow reduceddrug loadingof such
transdermalfilms.Thepreparationofultrathinpolymerfilms(<20
µm)isaparticularchallengeandisrequiredtoallowmeasurement
ofsaturationsolubilitywithoutsupersaturation.Amajorresearchef-
fortisthedesignofafully-syntheticmembranewhichcansimulate
thebarrierpropertyofhumanstratumcorneum(SC).Thismembrane
musthaveahightortuosityofupto1000tosimulatetheeffectsof
theinternalmorphologyoftheSConmacroscopicdiffusionrate.Our
membranesarepreparedfromceramiccolloidaldispersionsthatare
freeze-driedinsuchawaythatdirectionalfreezingoccurstoproduce
andlongchimney-likepores.Oncecross-linkedandfilledwithlipid
thisdirectionalporestructureshouldachieveourgoal.
3. Nanostructures:polymericandinorganichighly-ruggednano-
particleshavethepotentialforinertialcavitationwhentreatedwith
anultrasonicpressurewave.Thechallengeistoproducestealth-type
nanoparticlesofthecorrectsize(around100nm)thathavethecor-
rectsurfacemorphologyforgasentrapment.Twomorphologiesare
sELECtEd puBLiCations
• P.Lassner,M.Adler,G.Lee,J. Pharm. Sci. 2014, 103,1021–1031• S.Reismann,W.Bänsch,G.Lee,Pharm. Devel. Technol. 2014,19,634– 640• S.Wiedemann,S.Fey,P.Grail,G.Lee,Proc 19 th World Meet Pharm Tech
Pharm Biopharm, Lisbon 2014, 340
• A.Grebner,C.Coussious,G.Lee,Proc 12 th World Meet Pharm Tech Pharm Biopharm, Lisbon 2014, 500
• E.Lorenzen,G.Lee,J. Pharm. Sci. 2013,102,4268–4273
beingattempted:the‘GrandCanyon’modelbasedonbrittlefracture;
andthe‚hubcap‘modelbasedonmicrocollapseofahighlyporous
particle.Botharebeingdevelopedusingfreeze-dryingtechnologies.
Thiswhole researcharea runs incooperationwithBiomedicalEn-
gineeringinOxford.
pErspECtivEs
Thebiologicparticlesgroupwillbecomemorecenteredonthe
acousticlevitatortoexaminethekineticsofdryingandparticlefor-
mation.Thishasmanypotentialapplications,notonlyinthefieldof
pharmaceuticsbutalsoinotherareasasadhesivestechnology.Thin
filmsandmembranesgroupwillconcentrateondevelopingthefully
syntheticsurrogateforhumanSCbasedonhighmembranetortuosity.
Thenanostructuresgroup isstill in its infancy,buthaspotential to
becomeamajorresearchthrust.
64 Profile 2014
P r o f e s s o r s
oBjECtivEs
TheresearchgroupofProf.KristinaFriedlandaimstobetterun-
derstandthepathophysiologyofpsychiatricdiseases,toidentifyand
designnewcompoundsforthetreatmentofthesediseasesandto
improvethepharmacologicaltreatmentofpatientsintheclinics.This
approachcloses thegapbetweenbench tobedside.Her research
activitiesfollowaninterdisciplinaryapproachwithlocal,nationalas
wellasinternationalcooperationswithcolleaguesinpharmacy,food
chemistry, biochemistry,medicinal chemistry andmedicine,which
aredocumentedincollaborativeresearchprojectsandpublications.
Specialemphasislays,also,ontheeducationofundergraduatestu-
dents,onlectures,problembasedlearningandbed-side-teaching.
sCiEntifiC BaCKground
Prof.KristinaFriedland studiedPharmacyat theFreeUniversi-
tyofBerlin.ShereceivedherPhDattheInstituteofPharmacology
fornaturalscientistsat theGoethe-University inFrankfurt in2005,
where sheworked on the identification of themolecular target of
the plant derived antidepressant active compound Hyperforin iso-
lated fromSt. John’swort extract.Duringherpostdoctoral stayat
theGoethe-UniversityandtheUniversityofAlabamaintheUSA,Prof.
Friedlandgotfurtherinterestedintheneurobiologicalcausesofpsy-
chiatric diseases and clinical questions of drug therapy in psychi-
atricpatientssuchasdrug-drug interactions,clinical relevantside
effectsandcausesforpatientsnon-compliancetodrugtreatment.In
2011,KristinaFriedlandwasappointedasaProfessorofMolecular
andClinicalPharmacyattheUniversityofErlangen-Nürnberg.Inthe
CurriCuLum vitaE
since 2011 UniversityProfessorofMolecularandClinicalPharmacyattheUniversity
ofErlangen-Nürnberg,Germany
2001 – 2005 PostdoctoralFellow(Goethe-University,Frankfurt,GermanywithW.E.Müller
andUniversityofAlabamainBirmingham/USAwithLucasPozzo-Miller)
2001 – 2005 PhDthesis,InstituteofPharmacology,Goethe-UniversityFrankfurtGermany
2000 – 2001 PlacementstudentatapharmacyandatKnollGmbH,Ludwigshafen,Germany
1995 – 2000 StudiesinPharmacyattheFreeUniversityofBerlin,Germany
professor of molecular and clinical pharmacyprof. dr. Kristina friedland
[email protected] • www.chemie.fau.de/friedland
65Department of Chemistry anD pharmaCy
P r o f e s s o r s
sameyear,shebecameamemberoftheboardoftheInterdiscipli-
naryCenterforNeuroscienceattheUniversityofErlangen-Nürnberg.
In2012,shewaselectedasthechairpersonoftheClinicalPharmacy
SectionoftheGermanPharmaceuticalSociety,sheisalsoamember
ofthescientificadvisoryboardoftheInstituteforPrevention(WIPIG),
theBavarianAcademyforClinicalPharmacyandboardmemberof
theLesmüllerStiftung.InErlangen,shestartedherresearchgroup,
whichconsistsononehandofPhDstudentsdealingwithmolecular
topicsinthelaboratorybutalsoontheotherhandofPhDstudents
andpharmacists,whichworkwithpatientsinthepsychiatricclinicof
theUniversityHospitalinErlangen.Preclinicalandclinicalresearch
dealingwithpsychiatricdisorderssuchasdepression,schizophrenia
ordementiaarehamperedbyseveralpitfalls.Thepathophysiologyof
thesediseasesisstillnotfinallyunderstoodandthepharmacological
treatment is restrictedby limitedclinicalefficacyanddrug related
problemssuchassideeffectsordrug-druginteractions,whichham-
perpatients’compliance.Regardingtheseproblems,wearefocusing
onionchannelsasnoveltargetsformooddisordersandontherole
ofmitochondrialdysfunctionforthepathologyofneurodegenerative
diseases.Inaddition,weinvestigateifintensivepharmaceuticalcare
regardingdrugtherapyimprovespatients’compliance.
rEsEarCh highLights and pErspECtivEs
Depression isawidespread illnesscharacterizedby lowmood,
pleasure,motivationandreward.Thetreatmentofmajordepressive
disorders isconfoundedbyhigh ratesof treatment resistanceand
lowratesoflastingremission.Theseclinicalrealities,pairedwiththe
high economic burden of treating depression necessitate a better
understandingofthepathophysiologyofdepressionandthedevelop-
mentofalternativetherapeuticapproachestotreatingthisdisease.
Current treatmentstrategiesarebasedprimarilyon themonoamine
hypothesisofdepression.Recentwork,however,suggeststhatthe
neuropathology of depression is stratified across the reduction of
synaptic plasticity. Evidence suggests that the canonical transient
receptor potential channel 6 (TRPC6) regulates synaptic plasticity,
mostlikelyviatheinfluxofcalciumandzincions.TRPC6channels
are the molecular target of hyperforin, the active antidepressant
constituentofSt.John’swortextracts,whichhavebeenusedsince
Paracelsus to treat mild to moderate depression. Hyperforin is
chemicallyunstableandisonlymodestlypotentinTRPC6channels.
Thesequalitieslimititsuseasaleadcompoundforanewclassof
antidepressants.Therefore,we focuson the identification of novel
plant derivedTRPC6 activators and on the synthesis and detailed
pharmacological and behavioural characterization of new deriva-
tivesofhyperforinintheEFIproject“Neurotrition”andtheEuropean
fundedtrinationalprojectHYPZITRP.Inaddition,wetrytounderstand
theinterplayofTRPchannelsandother ionchannelswithproteins
suchasG-proteincoupledreceptors,whicharehighlyinvolvedinthe
pathogenesisofdepressionandschizophrenia(GRK1910).
Inclinicalresearch,wejustcompletedaclinicaltrial,wherewe
couldshowthatintensivepharmaceuticalcarecomprisingdetailed
patientinformationaboutthebiologicalcauseoftheirpsychiatricdi-
seaseaswellastheirdrugtreatmentresultsinreduceddrugrelated
problemsandstronglyimprovespatient’compliance.Wewillcontinue
thisworkandfocusonimprovingpsychiatricpatient’compliancein
thecommunitypharmacysetting.
sELECtEd puBLiCations
• K.Leuner,W.Li,M.D.Amaral,S.Rudolph,G.Calfa,A.M.Schuwald, C.Harteneck,T.Inoue,L.Pozzo-Miller,Hippocampus 2013, 23(1),40 –52
• K.L.Schulz,A.Eckert,V.Rhein,S.Mai,W.Haase,A.S.Reichert,M.Jendrach,W.E.Müller,K.Leuner,Mol Neurobiol. 2012, 46(1),205–216
• K.Leuner,K.Schulz,T.Schütt,J.Pantel,D.Prvulovic,V.Rhein,E.Savaskan,C.Czech,A.Eckert,W.E.Müller,Mol Neurobiol. 2012,46(1),194–204
• K.Leuner,T.Schütt,C.Kurz,S.H.Eckert,C.Schiller,A.Occhipinti,S.Mai, M.Jendrach,G.P.Eckert,S.E.Kruse,R.D.Palmiter,U.Brandt,S.Dröse, I.Wittig,M.Willem,C.Haass,A.S.Reichert,W.E.Müller,Antioxid Redox Signal 2012,16(12),1421–1433
• K.Leuner,J.Heiser,S.Derksen,M.I.Mladenov,C.J.Fehske,R.Schubert, M.Gollasch,G.Schneider,C.Harteneck,S.S.Chatterjee,W.E.Müller, Mol. Pharmacol. 2010,77(3),368–377
• K.Leuner,V.Kazanski,M.Müller,K.Essin,B.Henke,M.Gollasch, C.Harteneck,W.E.Müller,FASEB J. 2007,21(14),4101– 4111
sELECtEd rEviEWs
• C.Harteneck,K.Leuner,TRPChannelsinNeuronalandGlialSignal Transduction,Neurochemistry,InTech 2014,DOI:10.5772/58232
• K.Friedland-Leuner,C.Stockburger,I.Denzer,G.P.Eckert,W.E.Müller,Mitochondrialdysfunction––causeandconsequenceofAlzheimerdisease,Prog Mol Biol Transl Sci. 2014,127,183–210
• K.Leuner,W.E.Müller,A.S.Reichert,Frommitochondrialdysfunctiontoamyloidbetaformation:novelinsightsintothepathogenesisofAlzheimer’sdisease,Mol Neurobiol. 2012,46(1),186–193
• K.Leuner,S.Hauptmann,R.Abdel-Kader,I.Scherping,U.Keil, J.B.Strosznajder,A.Eckert,W.E.Müller,Mitochondrialdysfunction:thefirstdominoinbrainagingandAlzheimer’sdisease?,Antioxid. Redox. Signal, 2007,9(10),1659–1675
sELECtEd aWards
• 2009AGNPresearchprize,psychopharmacology
• 2008PhoenixPharmazieresearchprize,bestpublication,pharmacology in 2007
• 2007“Facultyof1000Biology”,identificationofanoveltargetforthetreatmentofdepression
66 Profile 2014
P r o f e s s o r s
oBjECtivEs
Ouraimistodevelopandusemethodstosimulaterealsystems,
bothtechnicalandbiologicalinordertounderstandtheirstructure,
functionandproperties.Abroadspectrumoftheoreticaltechniques
fromclassicalforcefieldstohigh-levelquantummechanicsisused
forthispurpose.Topicsofspecialinterestarepeptidehormonesand
G-proteincoupledreceptors,simulatingmolecularelectronicdevices
andthetheoryofnon-covalent interactions.Themethodsdevelop-
edaredesignedtobridgethegapbetweenclassicalandquantum
mechanicalmodeling techniqueson theatomisticandmesoscales
and to calculating the electronic properties of extremely large
(100,000atom)systemswithsemiempiricalmolecularorbitaltheory.
sCiEntifiC BaCKground
Computational chemistry, as distinct from themore traditional
theoreticalchemistry, isprimarilyconcernedwithmodelingandsi-
mulatingrealsystemsinordertounderstandtheirbehavior,calculate
datathatarenotavailableexperimentallyand,morerecentlytopre-
dictpropertiesandbehaviorbeforeexperimentsareperformed.The
techniquesusedrangefromseeminglysimpleforcefields(mecha-
nicalmodelsofmolecules)toextremelycompute-intensivelevelsof
abinitiomolecularorbital(MO)ordensityfunctionaltheory(DFT).As
ourinterestiscenteredonbiologicalandnanotechnologicalsystems,
weusuallydealwithlarge,oftenflexiblemolecularaggregates.We
mustthereforeconsiderthedynamicsofthesystembyperforming
moleculardynamics(MD)simulationsatquite“cheap”levelsofthe-
CurriCuLum vitaE
since 2006 ProfessorofComputationalChemistryattheUniversityofPortsmouth,UK
since 1993 TechnicalDirector,ComputerChemistryCenterattheUniversity
ofErlangen-Nürnberg,Germany
1977 – 1993 AcademicCounciloroftheInstituteofOrganicChemistryatthe
UniversityofErlangen-Nürnberg,Germany
1976 – 1977 NATOFellowattheUniversityofErlangen-Nürnberg,Germany
1975 – 1976 NATOFellowatPrincetonUniversity,USA
1973 – 1975 ImperialChemicalIndustriesFellowatQueen’sUniversity,Belfast,UK
apl. professor of computational chemistryprof. dr. tim clarK
[email protected] • www.chemie.fau.de/clark
67Department of Chemistry anD pharmaCy
P r o f e s s o r s
orybeforecollecting“snapshots”fromthesimulationstocalculate
not only the instantaneous properties of the complex system, but
alsoitsmacroscopicpropertiesasthesumofthoseoftheindividual
snapshots.Thus,modelingcomplexsystemsof“softmatter”involves
not only calculating the properties correctly (the Hamiltonian), but
alsomakingsurethatthestructurescalculatedarereallyrepresenta-
tiveforthemacroscopicsystematrealtemperatures(thesampling).
rEsEarCh highLights
Research highlights in computational chemistry almost always
involve predictions that are later confirmed by experiment or the-
oreticalmodelsthatleadtoabetterunderstandingofexperimental
results.Traditionally,computationalchemistrytechniqueshavebeen
usedmostinthelifesciencesbutmodelingnewmaterialsandmol-
ecularelectronicdevicesisbecomingmoreimportant.Ourworkon
G-proteincoupledreceptorsandtheirpeptide-hormoneligands,for
instance,hasrevealednewbindingsitesandmodesofactionand
provideddetailsoftheconformationsofpeptidehormonessuchas
vasopressininsolution.Simulatingelectronicdevicesnotonlyallows
us to support experimentalists in developing prototypes, but also
leadstonewunderstandingofthebondinginelectroactiveorganic
aggregates.Simulatingself-assembledmonolayerfield-effecttran-
sistors,forinstance,ledtothediscoveryofanewtypeofinterstitial
electrontrapbetweenC60fullerenes.Inordertobeabletosimulate
the electronic properties of devices on the nanometer scale, we
havedevelopedamassivelyparallelsemiempiricalMOprogramthat
is capable of calculating 100,000 ormore atoms. Finally, detailed
high-levelab initiocalculationsfirstledtoacompleteunderstanding
ofhalogenbondingasasubsetofthemoregeneralσ-holebondingandlaterrevealedotherdirectionalnon-covalentinteractionssuchas
anisotropicdispersion.
pErspECtivEs
Computationaltechniquesarelimitedonlybythecapacityofthe
hardwareandtheimaginationoftheresearcher.Strangelyenough,
theformerisoftenlesslimitingthanthelatter.Itisthereforeimport-
anttorecognizetheimmensepowerofmoderncomputersandtode-
velopnewtechniquestousethemtothefulltoinvestigatechemical,
technicalandbiologicalquestions.Experimentalistsareincreasingly
working with molecules, particles and aggregates than are small
enough to be simulated completely, even by quantummechanical
calculations,usingacombinationofmodernhard-andsoftware.The
dual aspects of sampling and the Hamiltonian outlined abovewill
playaneverincreasingroleasmodelingandsimulationbegintobe
able to treatcompletenanoscaledevices.Therearealreadymany
areas of the chemistry ofmolecules inwhich high level quantum
mechanicalcalculationscanbeconsideredmoreaccuratethanex-
periment.Extendingtheseareasanddevelopingtechniquestotreat
evermorecomplexmacromolecules,micelles,vesicles,membranes,
self-assembledmonolayersandevencompletephotocellsorelectronic
devices is the aim of modern computational chemistry. Modeling
andsimulationhasbeencalledthe“thirdpillarofscience”alongs-
ide experiment and theory.Modern computer capabilities are now
making direct comparisons between nanoscale experiments and
simulationspossible.
sELECtEd puBLiCations
• T.E.Shubina,D.I.Sharapa,C.Schubert,D.Zahn,M.Halik,P.A.Keller, S.G.Pyne,S.Jennepalli,D.M.Guldi,T.Clark,J. Am. Chem. Soc. 2014, 136,DOI:10.1021/ja505949m
• M.Hennemann,T.Clark,J. Mol. Model. 2014, 20,2331–2342• R.C.Kling,N.Tschammer,H.Lanig,T.Clark,P.Gmeiner,PLoS ONE 2014,
9:e100069
• R.C.Kling,H.Lanig,T.ClarkandP.Gmeiner,PLOS One 2013, 8:e67244
• A.ElKerdawy,J.S.Murray,P.Politzer,P.Bleiziffer,A.Hesselmann,A.Görling,T.Clark,J. Chem. Theor. Comput. 2013,9,2264–2275
• C.M.Jäger,T.Schmaltz,M.Novak,A.Khassanov,A.Vorobiev, M.Hennemann,A.Krause,H.Dietrich,D.Zahn,A.Hirsch,M.Halik,T.Clark,J. Am. Chem. Soc. 2013,135,4893–4900
• M.Salinas,C.M.Jäger,A.Amin,P.O.Dral,T.Meyer-Friedrichsen,A.Hirsch,T.Clark,M.Halik,J. Am. Chem. Soc. 2012,134,12648–12652
sELECtEd rEviEWs
• P.Politzer,J.S.MurrayandT.Clark,HalogenBondingandOtherσ-HoleInteractions:APerspective,PhysChemChemPhys 2013,15,11178–11189
• T.Clark,M.Halik,M.Hennemann,C.M.Jäger,Simulating“Soft”ElectronicDevices,MolecularEngineeringandControl(M.G.HicksandC.Kettner,Eds),2013,137–150
• T.Clark,σ-Holes,WIREs Comput. Mol. Sci. 2013,3,13–20• C.Kramer,T.Clark,NewTypesofDescriptorsandModelsinQSAR/QSPR,
inStatisticalModellingofMolecularDescriptorsinQSAR/QSPR,Volume2,M.Dehmer,K.VarmuzaandD.Bonchev(Eds),2012,393–306
• C.M.Jäger,A.Hirsch,C.Böttcher,T.Clark,StructurallyPersistentMicelles:TheoryandExperiment,Functional Nanoscience(M.G.HicksandC.Kettner,Eds),2011,91–106
• T.Clark,PredictiveModelingofMolecularproperties:CanWeGoBeyondInterpretation?,Modeling of Molecular properties,(P.Comba,Ed.), 2011, 91–106
• T.Clark,J.J.P.Stewart,MNDO-likeSemiempiricalMolecularOrbitalTheoryanditsApplicationtoLargeSystems,Computational Methods for Large Systems 2011, Chapter 8
• P.Politzer,J.S.Murray,T.Clark,Halogenbonding:anelectrostatically-drivenhighlydirectionalnoncovalentinteraction,Phys. Chem. Chem. Phys. 2010, 12,7748–7757
sELECtEd aWards
• 2009Klaus-Wilhelm-von-der-Lieth-MedailleoftheMolecularGraphicsandModellingSociety
68 Profile 2014
P r o f e s s o r s
oBjECtivEs
Ourgoalistodevelopnewconceptsforthedesignofnanostruc-
turesthroughself-assembly,andtoestablishroutesfortheformation
of functional and responsive supramolecularnanoparticlesandor-
ganic-inorganichybridmaterials.Inthiscontext,oneimportantaim
is to understandphysical chemical fundamentals of self-assembly
andparticleformation.
sCiEntifiC BaCKground
Avarietyoffascinatingstructuresandimportantfunctionsinna-
tural systems such as cellmembranes or DNA-protein complexes
consistsofsupramolecularnanoscalearchitectures.Therefore,great
potentialliesinsyntheticnanostructuredesignthroughself-assem-
bly.Theprospectisasimplewaytobuildcomplexarchitectureswith
tailoredproperties.Largeadvantageisthecapabilityforrearrange-
ments, leadingtoresponsiveandswitchablesystems.Excitingpo-
tential lies inareasassolarenergyconversion,smartmaterialsor
drugcarriers.
Another“secret”ofnaturalsystemsistheuseoforganic-inorganic
hybridnanostructures to optimizematerial properties, for example
seashells or shark teethbeingstablebut light.This is oneof the
motivations to investigate the formation of synthetic hybrid struc-
tures, for example by polymer templating.The approach can also
leadtovariousinorganicnanoparticleswithspecialoptical,electrical
ormagneticproperties.
Withtheseinspirationsinmind,majorkeyistodevelopfunda-
mentalunderstandingofunderlyingprinciplesofself-assemblyand
particle formation. This means that organic synthesis of desired
buildingblocksplaysarole inourgroup,while it isalsocrucial to
CurriCuLum vitaE
since 2009 UniversityProfessorofMolecularNanostructuresattheInterdisciplinaryCenterforMolecularMaterials(ICMM),
UniversityofErlangen-Nürnberg,Germany
2001 – 2009 GroupleaderattheMaxPlanckInstituteforPolymerResearch,MainzandInstituteofPhysicalChemistry,
UniversityofMainz,Germany
1998 – 2000 PostdoctoralfellowatNationalInstituteofStandardsandTechnology(NIST),Gaithersburg,MD,USA
1998 PhDfromMaxPlanckInstituteofColloidsandInterfacesandUniversityofPotsdam,Germany
professor of molecular nanostructures (icmm)prof. dr. franzisKa gröhn
[email protected] • www.chemie.fau.de/groehn
69Department of Chemistry anD pharmaCy
P r o f e s s o r s
characterizenanoscalestructuresbyacombinationofanalyticalme-
thodssuchasscatteringandimagingtechniques,spectroscopyand
thermodynamicinvestigations,includinginstrumentaldevelopments.
rEsEarCh highLights
Recently we established a new concept for the formation of
versatile supramolecular assemblies: electrostatic self-assembly
ofmacroions and oppositely charged organicmolecules.A variety
ofnanoscalearchitecturessuchasspheres, rods,networks, rings,
andhollowspherescanbebuilt.Theapproachisbasedontheinter-
connectionof polyelectrolytes through structuralmultivalent coun-
terions, combining different types of interactions and effects, e.g.,
ionic forces,π−πstackingandgeometric factors.Nanoassemblies
haveanarrowsizedistribution,arestable inaqueoussolutionand
canbedepositedonsurfaces.
Forexample,hollowsphereswith250nmdiameterand20nm
wallthicknessspontaneouslyformfrom5nmsizeddendrimericbuild-
ingblocksandatrivalentdyecounterion.Capsulescanbefilledwith
a fluorescently labelled peptide that canbe released through a pH
change.SuchpHresponsivecarriersareofinterestintumorresearch.
Newself-assembledmorphologiesinvolvingporphyrinsbearpo-
tentialaslightharvestingsystems.Ionicporphyrinscaninterconnect
cylindrical polyelectrolyte brushes into finite networks of several
hundrednanometersizewhichshowsignificantlyenhancedcatalytic
activityandaspecialselectivityinphotocatalysis.
Highlightsfromearlierresearchincludefundamentalresultson
theinteractionofpolyelectrolytes,provingdomainformationdueto
effectiveattractionoflikechargedmacroionsmediatedbycounter-
ions.Thisisimportantas––despitemostimportantnaturalpolymers
suchasDNAandproteinsarepolyelectrolytesand theyare found
inmanyapplications––fundamentalquestionsoninteractioneffects
hadbeendiscussedfordecades.
Anotherhighlighthasbeentheformationof inorganicnanopar-
ticlesindendrimertemplatesbasedonapurelyhydrophilicprecur-
sor assembly inwhich for example a certain number of gold ions
accumulateinsidetheionicdendrimertemplate.Thesizeofthere-
sulting gold nanoparticle is controlled through the number of gold
ionsaddedpermacroion.Thus,againelectrostaticinteractioninvol-
vingpolyelectrolytesrepresentsaneffective
routefordesigningparticlesonthenanoscale.
pErspECtivEs
With these concepts of electrostatic self-assembly we have
openedroutestoversatilenanostructures.Infuture,inparticularthe
potential to build complex functional assemblieswill be exploited.
Theadvantageofthisapproachliesinitswideapplicabilitywithout
relyingonspecificbindingmotifs.Therefore,avarietyoffunctional
buildingblockscanbeintroducedtobuildnovelcompositenanopar-
ticleswithtragetedproperties.Futurepotentialalsoliesinstructures
thatrespondtoexternaltriggers,inparticulartolight.Furthermore,
electrostaticself-assemblyiscombinedwiththenanotemplatingof
metal and semiconductor nanoparticles to create functional orga-
nic-inorganichybridstructuresthatcanbeusedincatalysis,medi-
cine or energy conversion.With future perspectives not limited to
theseexamples, it isexpected thatelectrostaticself-assemblywill
leadtostrikingnovelfunctionalnanoparticlesandstructures.
sELECtEd puBLiCations
• J.Düring,A.Hölzer,U.Kolb,R.Branscheid,F.Gröhn, Angew. Chem. Int. Ed. 2013,52,8742– 8745
• S.Frühbeißer,F.Gröhn,J. Am. Chem. Soc. 2012,134,14276–14270• G.Gröger,W.Meyer-Zaika,C.Böttcher,F.Gröhn,C.Ruthard,C.Schmuck,
J. Am. Chem. Soc. 2011,133,8961–8971• I.Willerich,F.Gröhn, J. Am. Chem. Soc. 2011,133,20341–20356• I.Willerich,F.Gröhn,Anger. Chem. Int. Ed. 2010,49,8104 – 8108• F.Gröhn,B.J.Bauer,E.J.Amis,C.L.Jackson,Macromolecules 2000,
33,6042– 6050
sELECtEd rEviEWs
• F.Gröhn,SoftMatterNanoparticleswithVariousShapesandFunctionalities CanFormthroughElectrostaticSelf-Assembly,Soft Matter 2010, 6,4296– 4302
• F.Gröhn,Electrostaticself-assemblyasroutetosupramolecular structures,Macromol. Chem. Phys. 2008, 209,2295 –2301
sELECtEd aWards
• 2006InvitationtotheTransatlanticFrontiersofChemistrySymposiumbyACS,RSC,andGdCh
• 2004Reimund-StadlerAward,GermanChemicalSociety
• 1989InternationalChemistryOlympiad
professor of molecular nanostructures (icmm)
70 Profile 2014
P r o f e s s o r s
oBjECtivEs
Theaimofourresearchistoachieveabetterunderstandingof
chemicalprocessesonsolidsurfaces.Usingatomisticcomputersi-
mulationswestudyhowmoleculesinteractwithsurfacesandhow
the physical and chemical properties of surfaces aremodified by
ad-sorbates. Inparticular,we focuson identifying relevantsurface
structures forming under reaction conditions, and we elucidate
mechanismsofchemicalreactionsonsurfacesinordertogainnew
insightsintoheterogeneouscatalysisandthegrowthmechanismof
adsorbatefilms,coatingsandnano-structures.
sCiEntifiC BaCKground
Mostlarge-scalechemicalprocessesinindustrydependonhe-
terogeneouscatalysis.Theseincludesynthesisofmanybulkchem-
icals, oil refinement for gasoline, and environmental protection
processessuchasexhaustgascleaning.Futuretechnologiesforre-
newableenergieswillalsodependcruciallyonefficientcatalystsfor
theinterconversionofwaterandcarbondioxidetohydrogenormeth-
anol,whichbothserveasenergycarrier.Heterogeneouscatalysisis
basedontheabilityofsurfacestoformandbreakchemicalbondsto
thereactantmoleculesfromthesurroundingliquidorgasphase.In
manycasesadsorbatesprofoundlymodifythestructuralandelectro-
CurriCuLum vitaE
since 2007 UniversityProfessorofComputationalChemistryattheInterdisciplinary
CenterforMolecularMaterials(ICMM)andtheComputerChemistry
Center(CCC)attheUniversityofErlangen-Nürnberg,Germany
2007 VisitingScientistattheUniversityofOxford,UK
2006 HabilitationinTheoreticalChemistry
2004 – 2007 HeadofaJuniorResearchGroupattheRuhr-UniversityofBochum,Germany
2000 – 2004 ResearchAssociateattheRuhr-UniversityofBochum,Germany
1999 – 2000 PostdocatRutgersUniversity,NewJersey,USA
1998 PhDinPhysicsattheMaxPlanckInstituteforMetalsResearch,
Stuttgart,Germany
professor of computational chemistry (icmm)prof. dr. Bernd meyer
[email protected] • www.chemie.fau.de/bmeyer
71Department of Chemistry anD pharmaCy
P r o f e s s o r s
nicpropertiesofsurfaces.Thisisutilized,forexample,insensors,but
italsotakesplacewhenmaterialscorrode.Anunderstandingofthe
propertiesofcoatingsinordertoprotectmaterialsortomakethem
more wear resistant is therefore of fundamental interest. Another
areainwhichtheinteractionandbondingofmoleculestosurfaces
playsanimportantroleisthefunctionalizationofoxidesurfaces,for
example,indye-sensitizedsolarcellsorinmolecularelectronics.
rEsEarCh highLights
Amainresearchfocus inthepastyearshasbeenthestudyof
ZnO and Cu/ZnO catalysts which are employed for hydrogenation
reactions,forexample,inmethanolsynthesisfromsyngas.There-
ducibilityofZnOisthemaindrivingforcebehinditscatalyticactivity.
Usingatomistictotalenergycalculationsincombinationwiththermo-
dynamic modeling, new insights into the reduction state of ZnO
underreactionconditionsofcatalyticprocessescouldbeobtained.
Inparticular,thepropertiesandchargestateofsurfacedefectsand
theoriginof themorphological changesof copperparticles inCu/
ZnOunder the influence of the reducing atmosphere of syngas (a
socalled‘strongmetal-supportinteraction’)wasinvestigated.Sub-
sequent accelerated molecular dynamics simulations revealed a
subtleinterplaybetweenthereductionstateofZnO,thestabilityof
reactionintermediates,andtheactivationbarrierfortheelementary
reactionssteps,whichgivesrisetoanextensivefreeenergyland-
scapeandacomplexreactionnetworkfromH2andCOtomethanol.
Furtherresearchprojectscompriseinvestigationsofthestructure
anddynamicalbehaviorofthefirstwaterlayerincontactwithoxide
surfaces,themodificationofsurfacereactivitybycoadsorbates,sur-
facemetallizationbyhydrogenadsorptionandthecharacterizationof
surfacestructuresbycalculationofscanningtunnelingmicroscopy
images.UsingkineticMonteCarlosimulationstostudythegrowthof
surfacenanostructures,themechanismandtheatomisticprocesses
havebeen identifiedwhich lead toa veryunusualgrowthof one-
dimensionalPdnanowiresonsurfacesoftinoxide.
pErspECtivEs
First-principles-basedatomisticcalculationsandmoleculardy-
namicssimulationsarerestrictedtosystemsizesofafewhundred
atomsduetothehighcomputationalcost.Tobeabletostudylarger
systemswe are currently developing amore approximate, semi-
empiricalmethodwhichisbasedonaparametrizationoftheelectronic
structureproblem(density-functional-basedtight-binding).Thispa-
rametrization,however,willbederivedwithoutfittingfromfirst-prin-
ciplescalculations.Inthefuturethenewmethodwillbeappliedto
studytheinteractionoflargeorganicmoleculeswithoxidesurfaces,
toelucidatethemechanismofthegrowthandself-assemblyofmol-
ecularmonolayers,andtosimulatethegrowthofZnOnanoparticles
fromsolution.Specialattentionwillbegiventointerfacepropertiesin
dye-sensitizedsolarcellsandtailoredadsorbatefilmsformolecular
electronics.
professor of computational chemistry (icmm)
sELECtEd puBLiCations
• B.Butz,C.Dolle,F.Niekiel,K.Weber,D.Waldmann,H.B.Weber,B.Meyer, E.Spiecker,Nature 2014,505,533–537
• L.Martinez-Suarez,J.Frenzel,D.Marx,B.Meyer,Phys. Rev. Lett. 2013, 110,086108
• A.Urban,M.Reese,M.Mrovec,C.Elsässer,B.Meyer,Phys. Rev. B 2011, 84,155119
• P.M.Kowalski,M.F.Camellone,N.N.Nair,B.Meyer,D.Marx,Phys. Rev. Lett. 2010,105,146405
• Y.Umeno,C.Elsässer,B.Meyer,P.Gumbsch,J.Weissmüller,Europhys. Lett. 2008,84,13002/1-6
• R.Kovacik,B.Meyer,D.Marx,Angew. Chem. Int. Ed. 2007, 46,4894 – 4897
• O.Dulub,B.Meyer,U.Diebold,Phys. Rev. Lett. 2005,95,136101• B.Meyer,D.Marx,O.Dulub,U.Diebold,M.Kunat,D.Langenberg, Ch.Wöll,Angew. Chem. Int. Ed. 2004,43,6641–6645
sELECtEd rEviEWs
• J.Frenzel,J.Kiss,N.N.Nair,B.Meyer,D.Marx,MethanolSynthesisonZnOfromMolecularDynamics,Phys. Stat. Sol. B 2013,250,1174 –1190
72 profile 2014
y o u n g r e s e a r c h e s
rEsEarCh highLights
Our research targetsmanyareasaround freezedrying (lyophi-
lisation) of pharmaceutical and biological products. Here, one of
our key interests in the last years has been the development and
evaluationofinnovativeProcessAnalyticalTechnology(PAT)toolsto
CurriCuLum vitaE
since 2011 Lecturer(PD),PharmaceuticalSciencesatthe
UniversityofErlangen-Nürnberg,Germany
since 2010 CEO,GILYOSGmbH,Würzburg,Germany
2010 HabilitationinPharmaceuticalSciences,University
ofErlangen-Nürnberg(Prof.G.Lee).Germany
2006 – 2010 PostdoctoralFellow,PharmaceuticalSciences,
UniversityofErlangen-Nürnberg(Prof.G.Lee),
GermanyFounder&Headofthe“FreezeDrying
FocusGroup”(FDFG)
2004 – 2006 PostdoctoralFellow,SchoolofPharmacy,University
ofConnecticut(Prof.M.Pikal),Storrs,CT,USA
2001 – 2004 Graduatestudent,PharmaceuticalSciences,Univer-
sityofErlangen-Nürnberg(Prof.Lee),Germany
2000 LicensedPharmacist,Germany
1995 – 1999 Undergraduatestudent,SchoolofPharmacy,
UniversityofWürzburg,Germany
sELECtEd puBLiCations
• U.Stange,C.Führling,H.Gieseler,Pharm. Dev. Technol.2014,19,137–147• H.Gieseler,EncyclopediaofPharmaceuticalScienceandTechnology,
FourthEdition,J.Swarbrick,Ed. Informa Healthcare 2013,2903–2917• U.Stange,M.Scherf-Clavel,H.Gieseler,J. Pharm. Sci. 2013,
102,4087–4099
• A.Al-Hussein,H.Gieseler,J. Pharm. Sci. 2013,102,813–826• S.Hibler,C.Wagner,H.Gieseler,J. Pharm. Sci. 2012,101,1189–1201
sELECtEd rEviEWs
• H.Gieseler, P. Stärtzel. Eur. Pharm. Rev.2012,17,63 –68• S.Hibler,H. Gieseler. J. Pharm. Sci. 2012,101,4025–4031
pharmaceuticspd dr. henning gieseler
[email protected] www.chemie.fau.de/gieseler
gainimprovedfreezedryingprocessunderstanding.Basedonmore
refined tools tomonitor the drying behaviour of the product, opti-
mizedprocesseswith shorter process timesare possible (positive
process economics)whilemaintaining or even improving the final
productqualityattributes.Inthisregard,QualitybyDesign(QbD)has
grownmore attention to regulatory authorities to erase trial-and-
errorapproachesduringformulationandprocessdevelopmentinin-
dustry.ThegrouphasalreadypresentedaprofoundQbDconceptfor
processdesignoffreezedriedproducts,combiningbothanalytical,
formulationandprocessrelatedaspects.
Besides PAT in freeze drying, the groups major achievements
could be derived in the field of physicochemical characterization
ofmaterials by Freeze DryMicroscopy (FDM) andModulated DSC
(MDSC),freezedryingfromatypicalcontainersystems(syringes,tu-
bes,capillarysystems,PCRplates,etc),formulationdevelopmentof
partiallycrystallinesystems,formulationandprocessdevelopmentfor
oraldisintegratingtablets(ODT),andscale-upprinciples.Since2006,
theFreezeDryingFocusGrouphasalsoestablishedanannualfreeze
dryingseminar,entitled“ERLANGENSeminar”whichiswellrecogni-
zedinthepharmaceuticalindustry,evenbeyondGermanborders.
futurE pErspECtivE
Ourongoingresearchsubjectsmaybeoutlinedasfollows:
• Freezedryingfromneworganicco-solventsystems.
• Developmentofascale-uproadmapforfreezedriedproducts,
therebycombiningintegralfreezedryerplatformdesigncriteria
andformulationrelatedattributes;developmentofasoftware
model.
• The“ideal”placeboforfreezedriedproductstosavedevelop-
mentcosts(expensiveAPI)andmaximizeoccupationalsafety
(highpotencyAPI).
• Controllednucleationinfreezedrying.
73Department of Chemistry anD pharmaCy
y o u n g r e s e a r c h e s
rEsEarCh highLights
Weareworkingonthedevelopmentofgenerallyapplicablenew
densityfunctionalsthatarebasedonwave-functionmethodsbutin
whichthefavourablescalingbehaviourofstandardDFTisconserved.
This will require the combination of the method with fast nume-
ricalalgorithmstoextendtheapplicability to largesystems.Afirst
stepinthisdirectionhasalreadybeenmadebyintroducinganew
orbital-dependentexchange-correlationfunctionalderivedfromthe
fluctuation-dissipationformulawithexactKohn-Shamexchange.
Density-functionaltheorymethodsarealsoemployedtodescribe
intramolecularcorrelationeffectsintheframeworkoftheintermol-
ecularSymmetry-AdaptedPerturbationTheory(SAPT).Thismethod,
termed DFT-SAPT, enables a decomposition of intermolecular
interactionenergies intodistinctphysically interpretable terms like
electrostatics,induction,dispersionandexchangerepulsiontypesof
interaction.Inthisway,incontrasttothecommonlyusedsupermol-
ecularmethodsthatareusedtodescribeintermolecularinteractions
with quantum chemistrymethods, the intermolecular perturbation
theory also alows a characterisation and deeper understanding of
thebondinginintermolecularcomplexes.
futurE pErspECtivE
Current time-dependent Kohn-Sham (KS) density functional
(TDDFT)responsemethodsstillarenotcapabletoaccuratelydescri-
becharge-transferexcitationsorpolarisabilitiesoflongconjugated
chainmolecules.Whiletheseproblemscane.g.,besolvedbyusing
generalised KS methods employing a nonlocal (range-separated)
exchangepotential/kernel,oftenthesemethodsarenotfeasibleany-
more for largersystems.We thereforeseek foranewTDDFTme-
thodwhichbothcandescribenonlocalexcitations (includingchar-
ge-transfer excitations) aswell as local excitationswith the same
accuracy.
CurriCuLum vitaE
since 2012 Lecturer(PD)attheUniversityofErlangen- Nürnberg,Germany
2012 HabilitationinTheoreticalChemistry,University
ofErlangen-Nürnberg(Prof.Görling),Germany
2006 PostdoctoralFellow,TheoreticalChemistry,
UniversityofErlangen-Nürnberg,Germany
2005 PostdoctoralFellow,UniversityofÅrhus
(Prof.Jørgensen),Denmark
2004 PostdoctoralFellow,UniversityofDuisburg-Essen
(Prof.Jansen),Germany
2003 PhD,TheoreticalChemistry,Heinrich-Heine
UniversityofDüsseldorf,Germany
sELECtEd puBLiCations
• A.Heßelman,T.Korona,J. Chem. Phys. 2014,141,094107• A.Heßelmann,A.Görling,Mol. Phys. 2010,108,359–372• A.Heßelmann,J. Chem. Theory Comput. 2013,9,273–283• A.Heßelmann,A.Görling,Phys. Rev. Lett. 2009,102,233003• A.Heßelmann,J. Chem. Phys.2008,128,144112• A.Heßelmann,A.Götz,F.DellaSala,A.Görling, J. Chem. Phys. 2007,
127,054102
• A.Heßelmann,G.Jansen,M.Schütz,J. Am. Chem. Soc. 2006,128,11730• A.Heßelmann,G.Jansen,M.Schütz,J. Chem. Phys. 2005,122,014103
sELECtEd rEviEWs
• A.Heßelmann,A.Görling,Random-phaseapproximationcorrelationmethodsformoleculesandsolids,Mol. Phys. 2011, 109,2473–2500
sELECtEd aWards
• 2004Gottschalk-Diederich-BaedekerAward
theoretical chemistrypd dr. andreas hesselmann
[email protected] www.chemie.fau.de/hesselmann
rEsEarCh highLights
Inourresearchweusequantumchemicalmethods,inparticular
densityfunctionaltheory,totheoreticallystudycomplexproblemsin
catalysis, surface science, and photophysics,with a special focus
onsystemscontainingtransitionmetals.Recentexamplesdealwith
thetheoretical investigationof largemetalloporphyrinmoleculesat
surfaces, surface-bound organometallic coordination polymers, or
organicnanotroughs.Wehavebeenabletoidentify,forthefirsttime,
thesurfaceanalogueoftheso-called transeffect,whichhasbeen
knownbeforeonlyinthefieldcoordinationchemistry.Wehaveeluci-
dated the mechanism of the homogeneous ruthenium-catalyzed
water-gasshiftreaction,andcontributedtothecharacterizationofone
oftheveryfirstU(II)complexesknowntodateusingrelativisticden-
sityfunctionalmethods.Wealsoworkonspectroscopictechniques
suchasnonlinearopticsandcore-levelspectroscopy.Recently,we
havedevelopednewdensity-functionalmethodstobothaccurately
and efficiently describe excitations of core-electrons in largemol-
ecules,followedbysuccessfulapplicationsinsurfacescience.Many
ofourprojectsinvolvestrongcollaborationswithexperimentallywork-
inggroupsofvariousdisciplines.
futurE pErspECtivE
Ourgoal is todesignnovel functional transitionmetalsystems
withunprecedentedcatalytic,electronic,oropticalpropertiesusing
modern theoreticalmethods.To this end,wemainly use accurate
quantum chemical methods, but we will also combine themwith
moreefficientforce-fieldtechniquestotreatenvironmentaleffects.
Wewillfurthermorecontinuetodevelopcomputerprogramswhich
providethenecessaryfunctionalitytoachieveourgoals.
CurriCuLum vitaE
since 2010 Lecturer(PD),TheoreticalChemistry
attheUniversityofErlangen-Nürnberg,Germany
2010 HabilitationinTheoreticalChemistry,University
ofErlangen-Nürnberg(Prof.Görling),Germany
2004 – 2010 Habilitand,TheoreticalChemistry,University
ofErlangen-Nürnberg(Prof.Görling),Germany
2003 – 2004 PostdoctoralFellow,TheoreticalChemistryatthe
TechnischeUniversitätMünchen(TUM),Germany
2002 – 2003 PostdoctoralFellow,TheoreticalChemistryatthe
UniversitätBonn,Germany
2000 – 2002 PostdoctoralFellow,TheoreticalChemistryatthe
VrijeUniversiteitAmsterdam(Prof.Baerends),NL
2000 PhDinInorganicChemistry,TechnischeUniversität
München(Prof.W.A.Herrmann),Germany
1997 DiplomaDegreeinChemistry,Technische UniversitätMünchen,Germany
sELECtEd puBLiCations
• S.LaPierre,A.Scheurer,F.W.Heinemann,W.Hieringer,K.Meyer, Angew. Chem. Int. Ed. 2014,53,7158–7162
• S.Ditze,M.Stark,F.Buchner,A.Aichert,N.Jux,N.Luckas,A.Görling, W.Hieringer,J.Hornegger,H.-P.Steinrück,H.Marbach,J. Am. Chem. Soc. 2014,136,1609–1616
• H.Schulz,A.Görling,W.Hieringer, Inorg. Chem.2013, 52,4786–4794• Q.Fan,C.Wang,Y.Han,J.Zhu,W.Hieringer,J.Kuttner,G.Hilt,J.M.Gottfried,
Angew. Chem. Int. Ed. 2013, 52,4668–4672• W.Hieringer,K.Flechtner,A.Kretschmann,K.Seufert,W.Auwärter,
J.V.Barth,A.Görling,H.-P.Steinrück,J.M.Gottfried,J. Am. Chem. Soc. 2011,133,6206–6222
sELECtEd aWards
• 2011StartingGrantoftheClusterofExcellence“EngineeringofAdvancedMaterials”
• 2003MarieCurieReintegrationGrantoftheEuropeanCommission
• 2000MarieCurieIndividualFellowshipoftheEuropeanCommission
theoretical chemistrypd dr. wolfgang hieringer
[email protected] www.chemie.fau.de/hieringer
74 profile 2014
y o u n g r e s e a r c h e s
75Department of Chemistry anD pharmaCy
y o u n g r e s e a r c h e s
rEsEarCh highLights
Mygeneral interestfocusesontheexplorationofstructureand
dynamics of proteins and DNAwith classical simulationmethods.
I am applyingMolecular Dynamics, HomologyModeling andMol-
ecularDockingtechniquestounderstandhowchemicalsignalsare
processed, transduced,andconverted intoproteinstructuralchan-
ges.Inrecentexamples,theactivationofG-ProteinCoupledRecep-
tors,TetracyclineRepressorvariants,CollagentypeIImodelsystems,
enzymes like the Prolyl Hydroxylase PHD2 and Interleukin Recep-
torcomplexeshavebeeninvestigatedbymodellingandsimulation
techniques.
futurE pErspECtivE
Basedonmyexperienceinmodellingandsimulationofprotein
structures,Iamcurrentlyfocusingonproteinswhichareabletoin-
teractwitholigonucleotides(transcriptionfactors)tounderstandhow
theinteractionwithDNAchangesitsprincipalproperties.Inanother
project,IamdevelopingastructuralmodelforFibulin-4,alargecal-
ciumbindingglycoproteinthathasanimportantroleindevelopment
andintegrityofextracellularmatricesandalreadyasinglemutation
maycauseseverediseases.Inallcurrentandfutureprojects,Iam
emphasizingthecollaborationwithexperimentalistsforasuccessful
synergywiththeoryinaniterativeway.
sELECtEd puBLiCations
• R.C.Kling,N.Tschammer,H.Lanig,T.Clark,P.Gmeiner,PLoS One 2014, 9,e100069
• C.R.Wick,H.Lanig,C.M.Jäger,N.Burzlaff,T.Clark,Eur. J. Inorg. Chem. 2012,4973–4985
• F.Haberl,H.Lanig,T.Clark,Proteins 2009,77,857– 866• U.Böiers,H.Lanig,B.Sehnert,R.Holmdahl,H.Burkhardt,
Eur. J. Immunol. 2008, 38,2784 – 2795• H.Lanig,T.Clark,in:SystemsChemistry,M.G.Hicks,C.Kettner,Eds.,
ProceedingsoftheInternationalBeilsteinWorkshop2008• K.vonderMark,H.vonderMark,E.Pöschl,H.Lanig,T.Sasaki,
R.Deutzmann,J. Mol. Biol. 2007, 371,1188 –1203• F.Boeckler,H.Lanig,P.Gmeiner,J. Med. Chem. 2005, 48,694 – 709• H.Lanig,H.Bradl,H.-M.Jäck,Mol. Immunol. 2004, 40,1263 – 1272
sELECtEd aWards
• MembersoftheGermanPharmaceuticalSocietyandtheRoyalSociety ofChemistry
• ChairmanoftheMolecularGraphicsandModellingSociety––GermanSection
• GrantfromtheBavarianMinistryofScienceandResearch
• GrantsfromFederalMinistryofEducationandResearchandFondsderChemischenIndustrie
medicinal chemistrypd dr. harald lanig
[email protected] www.chemie.fau.de/lanig
CurriCuLum vitaE
since 2012 Lecturer(PD)attheUniversityofErlangen-
Nürnberg,Germany
2012 HabilitationinMedicinalChemistry,University
ofErlangen-Nürnberg(Prof.Gmeiner),Germany
2005 – 2012 PostdoctoralFellow,MedicinalChemistry,
UniversityofErlangen-Nürnberg,Germany
2000 – 2005 ResearchAssistant,PharmacyandFoodChemistry,
UniversityofErlangen-Nürnberg,Germany
1995 – 1999 PostdoctoralFellow,OrganicChemistry,
ComputerChemistryCenter,UniversityofErlan-
gen-Nürnberg,Germany
1994 PhD,PhysicalChemistry,UniversityofWürzburg,
Germany
physical chemistrypd dr. huBertus marBach
rEsEarCh highLights
Thegenerationandinvestigationofnanostructuresonsurfacesis
inthecenterofmycurrentresearchactivities.Inmyworkinggroup
wefollowdifferentroutestofabricatetailor-madenanoscaledstruc-
tures.Thefirst (bottom-up)approach isbasedon theself-assembly
ofmoleculesoratomsonsurfaces.Inthiscontextthegeometricand
electronic structure of porphyrin derivatives as prototype examples
for functional molecules has been intensively studied on different
substrates. Inparticularwesystematicallyexploredtemperaturede-
pendentprocesseswhichallowfordeterminingtheenergeticsofthe
correspondingmolecularprocessesclosetoroomtemperature(e.g.,
diffusion,metalationreaction,conformationalswitching).Inoursecond
(top-down)approachahighlyfocusedelectronbeamisusedtolocally
dissociateadsorbedprecursormolecules(electronbeaminducedde-
position,EBID)ortodirectlymodifythepropertiesofthesubstratewith
lithographicalcontrol.Forbothprojectswetarget theunderstanding
of the fundamental physical and chemical processes on an atomic
levelbasedonmicroscopicandspectromicroscopicinvestigations.Our
mainmethodsarescanningtunnelingmicroscopyandspectroscopy,
scanningelectronmicroscopy,localAugerelectronspectroscopyand
atomicforcemicroscopyinanultrahighvacuumenvironment.
futurE pErspECtivE
In the futurewewill target thecombinationof the twoprojects
described above. Structures fabricated with the electron beam
techniqueswillserveastemplatesforthelocalanchoringand/orfunc-
tionalizationoflargeorganicmolecules,i.e.,inparticularporphyrins.
Otherfutureresearchactivitieswillinclude:
• furtherinvestigationoffundamentalaspectsofelectroninduced
processes
• instrumentaldevelopmentofEBIDattachmentstofurther
exploreinparticularthelithographicprocess
• furtherexplorationofthecontrolledconformationalswitching
ofindividualporphyrinmoleculesclosetoroomtemperature CurriCuLum vitaE
2014 – 2015 TemporaryProfessorship(W3),interimholder
ofchairforExperimentalPhysics,University
ofErlangen-Nürnberg,Germany
since 2010 Lecturer(PD),PhysicalChemistryattheUniversity
ofErlangen-Nürnberg,Germany
2010 HabilitationinPhysicalChemistryattheUniversity
ofErlangen-Nürnberg(Prof.Steinrück),Germany
2004 – 2009 PostdoctoralFellow,PhysicalChemistryatthe
UniversityofErlangen-Nürnberg(Prof.Steinrück),
Germany
2002 – 2004 PostdoctoralFellowattheSurfaceScienceCenter,
UniversityofPittsburgh(Prof.Yates,Prof.Levy),
PA/USA
2002 PhDinPhysicalChemistryandElectrochemistry,
UniversityofHannover(Prof.Imbihl),Germany
1997 DiplomaDegreeinPhysics,UniversityofDortmund,
Germany
[email protected] www.chemie.fau.de/marbach
76 profile 2014
y o u n g r e s e a r c h e s
sELECtEd puBLiCations
• S.Ditze,M.Stark,F.Buchner,A.Aichert,N.Jux,N.Luckas,A.Görling, W.Hieringer,J.Hornegger,H.-P.Steinrück,H.Marbach,J. Am. Chem. So.
2014,136,1609 –1616• M.Stark,S.Ditze,M.Lepper,L.Zhang,H.Schlott,F.Buchner,M.Röckert,
M.Chen,O.Lytken,H.-P.Steinrück,H.Marbach,Chem. Commun. 2014, 50,10225 –10228
• S.Ditze,M.Stark,M.Drost,F.BuchnerH.-P.Steinrück,H.Marbach, Angew. Chem., Int. Ed. 2012,51,10898 –10901
• M.-M.Walz,M.Schirmer,F.Vollnhals,T.Lukasczyk,H.-P.Steinrück, H.Marbach,Angew. Chem. Int. Ed. 2010,49,4669–4673
• F.Buchner,K.Seufert,W.Auwärter,D.Heim,J.V.Barth,K.Flechtner, J.M.Gottfried,H.-P.Steinrück,H.Marbach,ACS Nano 2009, 3,1789 –1794
• T.Lukasczyk,M.Schirmer,H.-P.Steinrück,H.Marbach, Small 2008, 4,841– 844
sELECtEd rEviEWs
• J.M.Gottfried,H.Marbach,Surface-confinedcoordinationchemistrywithporphyrinsandphthalocyanines:Aspectsofformation,electronicstructureandreactivity,Z. Phys. Chem. 2009,223,53 –74
sELECtEd aWards
• 2010PCCPHotTopicPrice,BunsenTagung,Bielefeld
• 2008PCCPHotTopicPrice,BunsenTagung,Saarbrücken
77Department of Chemistry anD pharmaCy
y o u n g r e s e a r c h e s
rEsEarCh highLights
Thefundamentalideaofourresearchisthefruitfulinterplayof
experimentalandcomputationalchemistry.Within thisconceptwe
inspect(inorganic)reactionmechanismsand(metallo)cryptatecom-
plexes.
Wecalculatemodelreactionstogainknowledgeonthereactivity
ofmetalions.Therefore,weinvestigatetetrahedralcoordinatedBe(II)
andCu(I)complexes,whileweutilizesolvatedZn(II)andAl(III)com-
plexestostudyoctahedralcoordinatedsystems.Thesecomputations
allowinsightsintoexplicitreactionsandinparallelwegainnewcon-
ceptualideasontheirreactivityandpossiblereactionpathways.
Themainaspectofourstudieson(metallo)cryptatecomplexes
istolearnmoreabouttheirionselectivity.Thiscanbederivedfrom
tailormademodelreactions,too.
futurE pErspECtivE
Ourfocuswillbethetransferofthegainedknowledgefrommo-
delreactionstoreactionswithcatalyticorbioinorganicbackground.
Furtherstudiesofmodelreactionswillparallelenlargeourtreasure
offundamentalknowledge.
The investigationson (metallo)cryptandsand(metallo)cryptates
lead toaclearpredictionwhichhostcanselectaspecific ionand
(hopefully)onedaymakeFritzHaber’sdreamofselectiveionmining
insea(orwastewater)cometrueundereconomicandecologiccon-
ditions.
Wheneverpossible,wewillcontinueourtheoreticalorientedstu-
diesinclosecooperationwithexperimentalscientists.
CurriCuLum vitaE
since 2013 Lecturer(PD)attheUniversityofErlangen-
Nürnberg,Germany
2013 HabilitationinInorganicChemistry,University
ofErlangen-Nürnberg(Prof.vanEldik),Germany
2004 – 2013 PostdoctoralFellow,InorganicandAnalyticChemis-
try,UniversityofErlangen-Nürnberg,Germany
2003 – 2004 PostdoctoralFellow,ComputerChemistry
CenterandTheoreticalChemistry,University
ofErlangen-Nürnberg,Germany
2003 PhD,OrganicChemistry,ComputerChemistry
Center,UniversityofErlangen-Nürnberg,Germany
sELECtEd puBLiCations
• S.Begel,R.Puchta,R.vanEldik,J. Mol. Model. 2014,20,2200• B.M.Alzoubi,I.Weber,H.Hanauer,R.Puchta,R.vanEldik,J. Mol. Model.
2014,20,2083• B.M.Alzoubi,M.Walther,R.Puchta,R.vanEldik,Eur. J. Inorg. Chem. 2013,
2059–2069
• S.Begel,R.Puchta,R.vanEldik,Beilstein J. Org. Chem. 2013, 9,1252–1268
• R.Puchta,B.M.Alzoubi,R.Meier,S.I.Almuhtaseb,M.Walther,R.vanEldik,Dalton Trans. 2012,41,14151–14156
• B.M.Alzoubi,M.Walther,R.Puchta,R.vanEldik, Dalton Trans. 2012, 41,6932– 6941
• M.Walther,R.Puchta,RSC Adv. 2012,2,5815–5821• A.Budimir,M.Walther,R.Puchta,R.vanEldik,Anorg. Allg. Chem. 2011,
637,515–522
• M.Walther,C.Dücker-Benfer,R.Puchta,Anorg. Allg. Chem. 2011, 637,1736–1740
• R.W.Saalfrank,H.Maid,A.Scheurer,R.Puchta,W.Bauer,Eur. J. Inorg. Chem. 2010,2903–2906
sELECtEd rEviEWs
• R.Puchta,E.Pasgreta,R.vanEldik,Adv. Inorg. Chem. 2009,61,523–571• Z.Chen,C.S.Wannere,C.Corminboeuf,R.Puchta,P.vonRaguéSchleyer,
Chem. Rev. 2005,105,3842–3888
inorganic chemistrypd dr. ralph puchta
[email protected] www.chemie.fau.de/puchta
78 profile 2014
y o u n g r e s e a r c h e s
rEsEarCh highLights
My research interests are the development of highly accurate
quantummechanicalmethods, and their applications to problems
in Chemistry, Physics, Medicine and Technology. The method of
Hylleraas-Configuration Interaction is a powerful predictive tool to
explainandstimulatenewexperiments.Usingthismethodwecan
calculate very accurately theenergyand variousproperties of the
ground, low-lyingexcitedstatesandweakly-boundRydbergstates
ofatomsandthusdrawthecomputationalspectrumofatomsand
ions.Another themeofmy research is theevaluationofmolecular
integralsoverSlaterorbitals.Slaterorbitalsarethenaturalbasisof
orbitalsinquantummechanicalcalculations,buttheiruseislimited
due to the difficulty to efficiently solve all integrals occurring in a
molecularcalculation.Thereforeinthepractice,Gaussianorbitalsare
used.However,researchonintegralsoverSlaterorbitalshasconti-
nuedinrecentyears,duetoSlaterorbitalsaresuitableforthephysi-
caldescriptionoftheelectronicinteractionsbetweentheatoms.
futurE pErspECtivE
Thewavefunctionsofverygoodqualityhavemanyapplications
today.Theseapplications include: (1) thestudyof the redistribution
oftheelectronicdensityinbeta-decay,bound-statebeta-decayand
electroncaptureprocesses;(2)themechanismofcollisionprocesses
including ionization, double ionization and electron attachment; (3)
nuclearreactionssuchastheBoronNeutronCaptureTherapy(BNCT),
apromisinganticancertherapy;(4)atomsandionsunderconfinement
conditions,importantinspaceresearch,quantumcomputersandthe
futureofmicroelectronics;(5)Rydbergstatesunderthepresenceof
anelectricfield;(6)theopticalspectraofWolf-Rayetstars,thebright-
estobjectsofouruniverse.Theadditionoffinitemass,isotopicshift,
finitevolumeofthenucleus,relativisticcorrectionsandlowerorder
quantumelectrodynamics,QEDcorrections,allowdirectcomparison
ofenergyandpropertieswithexperimentaldata.
CurriCuLum vitaE
since 2010 Lecturer(PD),attheUniversityofErlangen-
Nürnberg,Germany
2010 HabilitationinTheoreticalChemistryattheUniversity
ofErlangen-Nürnberg(Prof.Görling),Germany
2009 VisitingProfessoratAutónomaUniversityofMadrid,
Spain
1996 VisitingResearcherattheUniversityofHiroshima,
Japan
1995 – 2004 PostdoctoralFellow,TheoreticalChemistryattheUniversityofErlangen-Nürnberg,Germany
1994 PhDinTheoreticalChemistryattheSpanish
NationalResearchCouncil,Madrid,Spain
1993 – 1994 GraduateAssistantattheUniversityof
Erlangen-Nürnberg,Germany
1993 GraduateAssistantattheHungarianAcademy
ofSciences,Budapest,Hungary
sELECtEd puBLiCations
• A.M.Frolov,M.B.Ruiz,D.M.Wardlaw,Chem. Phys. Lett. 2014,608,191–200• M.B.Ruiz,J.T.Margraf,A.M.Frolov,Phys. Rev. A 2013,88,012505• M.B.Ruiz,A.M.Frolov,Adv. Quantum Chem. 2013,67,267–290
• A.M.Frolov,M.B.Ruiz,Phys. Rev. A 2010,82,042511• M.B.Ruiz,J. Math. Chem. 2009,46,24 – 64• M.B.Ruiz,J. Math. Chem. 2009,46,1322–1355
sELECtEd rEviEWs
• Accuratewavefunctionsfortheatomiceffectinthewhole-atom-nuclearβ-decayoftheLiatom,M.B.Ruiz,Mol. Phys. 2014,112,1174–1188
• P.E.Hoggan,M.B.Ruiz,T.Özdogan,MolecularIntegralsoverSlaterorbitals.Frompioneerstorecentprogress,in:Quantum Frontiers of Atoms and Molecules,Ed.MihaiV.Putz2010,63 –90
• M.B.Ruiz,K.Peuker,MathematicalTechniquesinmolecularcalculations usingSlaterorbitals,in:Recent Advances in Computational Chemistry: Molecular Integrals over Slater orbitals,Eds.T.Özdogan,M.B.Ruiz,2008, 99–144
sELECtEd aWards
• EmployeePriceoftheUniversityofErlangen-Nürnbergforoutstanding achievements
• MemberoftheAmericanChemicalSociety
• GrantforexcellentyoungwomenacademicsfromtheUniversity ofErlangen-Nürnberg
• GrantsfromSpanishMinistryofEducation
• GrantfromtheHungarianExteriorMinistry
theoretical chemistrypd dr. maría Belén ruiz ruiz
[email protected] www.chemie.fau.de/ruiz
80 profile 2014
y o u n g r e s e a r c h e r s
CurriCuLum vitaE
since 2014 Juniorgroupleader,OrganicChemistry, UniversityofErlangenNürnberg,Germany
2010 – 2014 ResearchassociateattheCentralInstitute forNewMaterialsandProcesses,University ofErlangen-Nürnberg,Germany
2006 – 2010 Project-leader,ResearchatDICBerlinGmbH (DICCorporation),Germany
2006 PhD,OrganicChemistry,Universityof Erlangen-Nürnberg,Germany
oBjECtivEs and pErspECtivEs
The controlled synthesis of novel graphene based materialswith architectures that enable the selective binding of biomole- culeswillleadtohighlysensitivebiosensors.Ourresearchfocuseson the defect-free synthesis, structure evaluation, and controlledfunctionalizationofoxo-functionalizedgrapheneandgraphene.Weelaborate the relationship between electronic properties of gra- phenematerials and their chemical structure.With the resulting informationwewillbeabletodeveloptargetedsensors.
CurriCuLum vitaE
since 2009 Juniorgroupleader,BioinorganicChemistry, UniversityofErlangenNürnberg,Germany
2008 – 2009 SeniorResearchAssociate,ICTM-Centerfor Chemistry,UniversityofBelgrade,Serbia
2008 DSc,Biochemistry,UniversityofBelgrade,Serbia
oBjECtivEs and pErspECtivEs
My research interestsarequitewide: fromunderstanding thebasic chemical steps behind intracellular metabolic pathways toregulationandtreatmentofdifferentdiseasestates (suchasdia-betes,neuropathies,andheart failure).Morespecificallywehavebeen addressing the signalling by small gaseousmolecules, i.e.,gasotransmitters. This covers the signalling by nitric oxide (NO)andhydrogensulfide(H2S).Weareworkingonunravelingthe(bio)chemicalstepsbehindH2Ssignaling,withparticularemphasisonitsintracellularcrosstalkwithNO(andNOmetabolites).Inaddition,changes in oxidative post-translational modifications of cysteineresidues in proteins havebecome interest ofmine.Thedevelop-mentofselectivemethodsfordetectionoftheH2S-inducedprotein modifications, so calledS-sulfhydration,would be one our futuregoals.
sELECtEd puBLiCations and rEviEWs
• S.Eigler,Phys. Chem. Chem. Phys. 2014,16,19832–19835• S.Eigler,A.Hirsch,Angew. Chem. Int. Ed. 2014,43,7720 –7738• S.Eigler,F.Hof,M.Enzelberger-Heim,S.Grimm,P.Müller,A.Hirsch,
J. Phys. Chem. C 2014,118,7698–7704• S.Eigler,S.Grimm,A.Hirsch,Chem. Eur. J.2014, 20,984–989• S.Eigler,S.Grimm,M.Enzelberger,P.Müller,A.Hirsch,Chem. Commun.
2013,49,7391–7393• S.Eigler,C.Dotzer,F.Hof,W.Bauer,A.Hirsch,Chem. Eur. J. 2013,
19,9490–9496• S.Eigler,Y.Hui,Y.Ishii,A.Hirsch,Nanoscale 2013,5,12136 –12139• S.Eigler,M.Enzelberger-Heim,S.Grimm,P.Hofmann,W.Kroener,
A.Geworski,C.Dotzer,M.Röckert,J.Xiao,C.Papp,O.Lytken, H.-P.Steinrück,P.Müller,A.Hirsch,Adv. Mater. 2013,25,3583–3587
sELECtEd aWards
• 1stplaceof“innovationcheck”2013ofFAUErlangen-Nürnbergand THNürnberg
[email protected]/eigler
[email protected]/filipovic
Bioinorganic chemistryorganic chemistryDr. Milos Filipovićdr. siegfried eigler
sELECtEd puBLiCations and rEviEWs
• M.Eberhard,M.Dux,B.Namer,J.Lj.Miljkovic,N.Cordasic,C.Will, M.Fischer,S.A.Suarez,D.Bikel,J.delaRoche,K.Dorsch,T.I.Kichko, A.Leffler,A.Babes,A.Lampert,J.K.Lennerz,J.Jacobbi,M.A.Marti, F.Doctorovich,E.D.Högestätt,P.M.Zygmunt,I.Ivanović-Burmazović, K.Messlinger,P.Reeh,M.R.Filipović,Nature Communications 2014, DOI:10.1038/ncomms5381
• D.Zhang,I.Macinkovic,No.O.Devarie-Baez,J.Pan,C.M.Park, K.S.Carroll,M.R.Filipović,M.Xian,Angew. Chem. Int. Ed. 2014, 53,575–581
• J.Lj.Miljkovic,I.Ivanović-Burmazović,M.R.Filipović,Angew. Chem. Int. Ed. 2013,52,12061–12064
• M.R.Filipović,J.Lj.Miljkovic,T.Nauser,M.Royzen,K.Klos,T.Shubina, W.H.Koppenol,S.J.Lippard,I.Ivanović-Burmazović,Journal of the American Chemical Society 2012,134,12016–12027
• M.R.Filipović,J.Lj.Milijkovic,A.Allgaeuer,R.Chaurio,T.Shubina, M.Herrmann,I.Ivanović-Burmazović,Biochemical Journal 2012, 441,609– 621
81Department of Chemistry anD pharmaCy
y o u n g r e s e a r c h e r s
CurriCuLum vitaE
since 2011 Juniorgroupleader,OrganicChemistry, UniversityofErlangenNürnberg,Germany
2009 – 2011 PostdoctoralFellow,MaxPlanckInstituteforPoly-merResearch(Prof.K.Müllen),Mainz,Germany
2008 – 2009 PostdoctoralFellow,ETHZürich (Prof.F.Diederich),Switzerland
2008 PhD,OrganicChemistry,ETHZürich (Prof.F.Diederich),Switzerland
oBjECtivEs and pErspECtivEs
Thefocalpointofmyresearchprogramisthesynthesisofun-precedented heteroatom-dopedpolycyclicaromatichydrocarbonswiththeaimto1)investigatetheinfluenceofvariousheteroatomsontheirfundamentalcharacteristicsand2)applytheresultingcom-poundsas functional materials inorganicoptoelectronicdevices.Whilemyresearchisclearlysynthesis-driven,fundamentalunder-standingandfunctionoftheresultingcompoundsareessentialforus.To achieve these goals,my research benefits from numerousinterdisciplinarycollaborations.
CurriCuLum vitaE
since 2009 Juniorgroupleader,InorganicChemistry, UniversityofErlangenNürnberg,Germany
2006 – 2009 PostdoctoralFellow,MaxPlanckInstitutefor BioinorganicChemistry,MülheimanderRuhr,Germany
2002 – 2006 PhD,InorganicChemistry,Philipps-UniversitätMarburg,Germany
1997 – 2002 Chemistrystudies,DepartmentofNaturalScience,NovosibirskStateUniversity,Russia
oBjECtivEs and pErspECtivEs
Theresearchinourgroupisdedicatedtothedevelopmentandinvestigationofmolecularswitchesandmagneticmaterials.Muchattentionispaidtothesynthesisandstudiesofbistablemetalcom-plexesthatcanbereversiblyswitchedatroomtemperature.Toac-complishourgoals strongly interdisciplinaryapproachcomprisingsyntheticinorganicandorganicchemistry,photochemistry,appliedspectroscopyandtheoreticalcalculationsisused.
sELECtEd puBLiCations and rEviEWs
• A.T.Haedler,S.R.Beyer,N.Hammer,R.Hildner,M.Kivala,J.Köhler, H.-W.Schmidt,Chem. Eur. J. 2014,20,11708–11718
• P.O.Dral,M.Kivala,T.Clark,J. Org. Chem. 2013,78,1894–1902• M.Kivala,W.Pisula,S.Wang,A.Mavrinskiy,J.-P.Gisselbrecht,X.Feng,
K.Müllen,Chem. Eur. J. 2013,19,8117– 8128• F.Schlütter,F.Rossel,M.Kivala,V.Enkelmann,J.-P.Gisselbrecht,
P.Ruffieux,R.Fasel,K.Müllen,J. Am. Chem. Soc. 2013,135,4550– 4557• M.Kivala,F.Diederich,Acc. Chem. Res. 2009,42,235–248• M.Kivala,C.Boudon,J.-P.Gisselbrecht,P.Seiler,M.Gross,F.Diederich,
Angew. Chem. Int. Ed. 2007,46,6357– 6360
sELECtEd aWards
• 2014EAMStartingGrant,DFGExzellenzcluster‘EngineeringofAdvancedMaterials’
• 2012FondsderChemischenIndustrieGrant• 2010–2012HumboldtFellowshipforPostdoctoralResearchers• 2009–2010SwissNationalScienceFoundationFellowship• 2009ETHMedal• 2003HonorAwardofJosefHlávka
sELECtEd puBLiCations and rEviEWs
• A.Witt,F.W.Heinemann,S.Sproules,M.M.Khusniyarov,Chem. Eur. J. 2014,20,11149–11162
• M.Milek,F.W.Heinemann,M.M.Khusniyarov,Inorg. Chem. 2013, 52,11585–11592
• M.Milek,A.Witt,C.Streb,F.W.Heinemann,M.M.Khusniyarov, Dalton Trans. 2013,42,5237–5241
• J.Meiners,M.G.Scheibel,M.-H.Lemée-Cailleau,S.A.Mason, M.B.Boeddinghaus,T.F.Fässler,E.Herdtweck,M.M.Khusniyarov, S.Schneider,Angew. Chem. Int. Ed. 2011,50,8184–8187
• M.M.Khusniyarov,E.Bill,T.Weyhermüller,E.Bothe,K.Wieghardt, Angew. Chem. Int. Ed. 2011,50,1652–1655
• J.J.Scepaniak,C.S.Vogel,M.M.Khusniyarov,F.W.Heinemann, K.Meyer,J.M.Smith,Science 2011,331,1049 –1052
sELECtEd aWards
• 2014Temporarypositionforprincipalinvestigator,GermanResearchFoundation,Germany
• 2009LiebigFellowship,FondsderChemischenIndustrie,Germany• 2006PostdoctoralFellowship,MaxPlanckSociety,Germany• 2002DiplomainChemistrywithhonors,NovosibirskStateUniversity,Russia
[email protected]/kivala
[email protected]/khusniyarov
organic chemistryinorganic chemistrydr. milan KiValadr. marat m. KhusniyaroV
82 profile 2014
y o u n g r e s e a r c h e r s
CurriCuLum vitaE
since 2012 Juniorgroupleader,PhysicalChemistry, UniversityofErlangenNürnberg,Germany
2008 – 2012 PostdoctoralFellow,PhysicalChemistryII, UniversityofErlangen-Nürnberg,Germany
2006 – 2008 JSPSPostdoctoralfellow,TokyoUniversityandKeioUniversity,Tokyo,Japan
2006 MPGPostdoctoralfellow,PhysicalChemistryII, theUniversityofErlangen-Nürnberg,Germany
2002 – 2005 PhDstudies,DepartmentofChemicalPhysics attheFritz-Haber-Institut,MaxPlanck Gesellschaft,Berlin
oBjECtivEs and pErspECtivEs
Ourgroupfollowstwocomplementaryresearchdirections.Theclosesttotechnicalchemistryandapplicationsprovidesaspectro- scopicunderstandingofworkingcatalysts,combinedwithreal-timegasphaseanalysis.Weconcentrateonsupportedhomogeneousandheterogeneouscatalystsduringselectedreactions.Onafundamen-tallevel,wedevelopnewconceptsderivingfromthecharacteriza-tionof the interactionsbetweenorganicmolecules (suchas ionicliquids or porphyrins) and atomically defined oxide surfaces. Ourtechniqueofchoiceisinfraredspectroscopy.
CurriCuLum vitaE
since 2011 Juniorgroupleader,PhysicalChemistry, UniversityofErlangenNürnberg,Germany
2009 – 2011 PostdoctoralFellow,PhysicalChemistryII, UniversityofErlangen-Nürnberg,Germany
2007 – 2009 PostdoctoralFellow,LawrenceBerkeley NationalLaboratory,Berkeley,CA,USA
2007 PhD,PhysicalChemistryII,Universityof Erlangen-Nürnberg,Germany
oBjECtivEs and pErspECtivEs
Ourgeneralaimisanatomicormolecularunderstandingofsur-facechemistryandsurfaceprocessesoncatalyticallyactivemetals.Wefocusonthein-situanalysisofsurfacesandinterfacesfacilitatingsynchrotronradiationfor(1)studyingmodelsystems,fromflatsurf-acestonanoclusters(2)hydrogenstorageandreleaseinliquidorga-nichydrogencarriersandthedevelopmentofnovelcatalystsystemsfor these reactions (3) the functionalizationandchemicalmodifi- cationofgrapheneforapplicationinfutureinformationtechnology.
sELECtEd puBLiCations and rEviEWs
• M.Kusche,F.Enzenberger,S.Bajus,etal.,Angew Chem. Int. Ed. 2013, 52,5028–5032
• M.Laurin,Q.Vibeplot,J. Chem. Educ. 2013,90,944– 946• S.Schernich,M.Laurin,Ya.Lykhach,etal.,J. Phys. Chem. Lett. 2012,
4,30 –35• M.Sobota,M.Happel,M.Amende,N.Paape,P.Wasserscheid,M.Laurin,
J.Libuda,Adv. Mater. 2011,23,2617– 2621• V.Johànek,M.Laurin,A.W.Grant,B.Kasemo,C.R.Henry,J.Libuda,
Science 2004,304,1639–1644
sELECtEd aWards
• 2011Posterprizeatthe44.KatalitikerTagung• 2006JapaneseSocietyforthePromotionofScience(JSPS)Fellowship• 2004“BestPhDOralPresentation”atthe3rdEFCATSSchoolofCatalysis
sELECtEd puBLiCations and rEviEWs
• C.Papp,P.Wasserscheid,J.Libuda,H.-P.Steinrück,Review––The Chemical Record 2014,DOI:10.1002/tcr.201402014
• C.Papp,H.-P.Steinrück,Review ––Surface Science Reports 2013, 68,446–487
• C.Gleichweit,M.Amende,S.Schernich,W.Zhao,M.P.A.Lorenz, O.Höfert,N.Brückner,P.Wasserscheid,J.Libuda,H.-P.Steinrück, C.Papp,ChemSusChem 2013, 6,974–977
• J.Englert,C.Dotzer,G.Yuang,M.Schmid,C.Papp,J.M.Gottfried, H.-P.Steinrück,E.Spieker,F.Hauke,A.Hirsch,Nature Chemistry 2011, 3,279–286
• A.X.Gray,C.Papp,S.Ueda,B.Balke,Y.Yamashita,L.Plucinski, J.Minár,J.Braun,E.R.Ylvisaker,C.M.Schneider,W.E.Pickett,H.Ebert, K.Kobayashi,C.S.Fadley,Nature Materials 2011,10,759–764
• R.Streber,C.Papp,M.P.A.Lorenz,A.Bayer,R.DeneckeandH.-P.Steinrück, Angewandte Chemie International Edition 2009,48,9743–9746
sELECtEd aWards
• 2008–2009Feodor-LynenStipendoftheAlexander-von-Humboldt Foundation• 2008Karl-Giehrl-Preis,UniversityofErlangen-Nürnberg
[email protected]/laurin
[email protected]/papp
physical chemistryphysical chemistryphysical chemistrydr. christian pappdr. christian pappdr. mathias laurin
83Department of Chemistry anD pharmaCy
y o u n g r e s e a r c h e r s
CurriCuLum vitaE
since 2012 Juniorgroupleader,TheoreticalChemistry, UniversityofErlangenNürnberg,Germany
2007 – 2011 PostdoctoralFellow,ComputerChemistryCenter attheUniversityofErlangen-Nürnberg,Germany
2005 – 2006 HumboldtFellow,ComputerChemistryCenter attheUniversityofErlangen-Nürnberg,Germany
2003 PhD,OrganicChemistryattheNationalTechnicalUniversityofUkraine(KPI),Ukraine
oBjECtivEs and pErspECtivEs
My researchcenterson theapplicationofcomputationalche-mistry to various problems in the fields of physical, organic andbioorganicchemistry. The projects are focused onmetalloporphyrins asmodel sys-tems and challenges, connectedwith this for computationalme-thodsandonmechanisticstudiesrelatedtobioorganicchemistryaswellasonapplicationofmetalloporphyrinsandrelatedcompoundsforunderstandingandultimatelydesigningnewelectronicdevices.
sELECtEd puBLiCations and rEviEWs
• O.Troeppner,R.Lippert,T.E.Shubina,A.Zahl,N.Juxand I.Ivanović-Burmazović,Angew. Chem. Int. Ed. 2014, accepted
• T.Shubina,D.I.Sharapa,C.Schubert,D.Zahn,M.Halik,P.A.Keller, S.G.Pyne,S.Jennepalli,D.M.Guldi,T.Clark,J. Am. Chem. Soc. 2014, 136(31),10890–10893
• M.R.Filipović,J.Miljkovic,T.Nauser,M.Royzen,K.Klos,T.E.Shubina, W.H.Koppenol,S.J.Lippard,I.Ivanović-Burmazović,J. Am. Chem. Soc. 2012,134,12016 – 12027
• Y.Li,J.Xiao,T.E.Shubina,M.Chen,Z.Shi,M.Schmid,H.-P.Steinrück, J.M.Gottfried,N.Lin, J. Am. Chem. Soc. 2012,134(14),6401– 6408
• T.E.Shubina,Advances in Inorganic Chemistry 2010,Vol.62,Chapter7,261– 300.(Eds:R.vanEldik,J.Harvey)
• I.A.Levandovskiy,D.I.Sharapa,T.V.Shamota,V.N.Rodionov, T.E.Shubina,Future Medicinal Chemistry 2011, 3(2),223– 241
sELECtEd aWards
• GuestEditorfortheJournalofMolecularModeling(SIClark)• MemberoftheRSC• HumboldtFellowship
[email protected]/shubina
CurriCuLum vitaE
since 2008 Juniorgroupleader,MedicinalChemistry, UniversityofErlangen-Nürnberg,Germany
2004 – 2007 PhDinBiomolecularSciences,Universityof CentralFlorida,Orlando,USA1999 – 2002 MasterinChemicalTechnology/Chemistry
ofPolymers,UniversityofMaribor,Slovenia1993 – 1998 BachelorinBiologyandChemistry,University
ofMaribor,Slovenia
oBjECtivEs and pErspECtivEs
To advance the understanding of the allostericmodulation ofhumanandviralchemokinereceptors,wefocusoureffortsontheidentification of molecular determinants involved in the allostericmodulation of these receptors.With the combination of de novosynthesis, computational approaches,molecular andpharmacolo-gicalmethodsweareablegaindetailedinsightinthemechanismsofallostericmodulation.Thesemechanismsraisethepossibilityofdesigning novel therapeutics, which differentially activate down- stream signaling pathways and thus promote desired therapeuticactionwithreducedunwantedeffects.
sELECtEd puBLiCations and rEviEWs
• V.Bernat,R.Brox,T.H.Admas,F.Heinemann,N.Tschammer, ACS Chem. Biol. 2014, accepted
• N.Tschammer,Bioorg. Med.Chem.Lett. 2014,24,3744 –3747• A.Kralj,E.Kurt,N.Tschammer,H.Heinrich,ChemMedChem. 2014,
9,151–168• A.Kralj,M.-T.Nguyen,N.Tschammer,N.Ocampo,Q.Gesiotto,M.Heinrich,
O.Phanstiel, J. Med. Chem. 2013,56,5015032• V.Bernat,M.Heinrich,P.Baumeister,A.Buschauer,N.Tschammer,
ChemMedChem. 2012, 7,1481–1489• N.Tschammer,S.Bollinger,T.Kenakin,P.Gmeiner,Mol. Pharmacol. 2011,
79,575–585
sELECtEd aWards
• 2014WomensAwardofFacultyofLifeSciences,UniversityofErlangen• 2004MeritFellowship,UniversityofCentralFlorida,Orlando,USA• Since2012severalGrantsofGermanResearchFoundationandBavarian
MinistryofScienceandResearch
[email protected]/tschammerlab
medicinal chemistrytheoretical chemistrydr. nusKa tschammerdr. tatyana e. shuBina
84 profile 2014
d f g p r o g r a m s
Syntheticcarbonallotropessuchasfullerenes,carbonnanotubes
and graphene currently represent one of themost promisingma-
terials families with enormous potential for high-performance ap-
plicationsinthefieldsofnanoelectronics,optoelectonics,hydrogen
storage,sensorsandreinforcementsofpolymersbasedontheirun-
precedentedelectronic,optical,mechanicalandchemicalproperties.
ThescientificinterestoftheSFB953“SyntheticCarbonAllotro-
pes” is devoted to fundamental chemical and physical questions
suchascontrolledallotropedopingwithheteroatoms,development
ofsynthesisprotocolsfornovelcarbonallotropesystems,sortingand
separationofcarbonnanotubes,investigationoftheintrinsicchemi-
cal reactivity, and the development of carbon based architectures
anddevices.
Hencetremendousinterdisciplinaryeffortsarerequiredthatsys-
tematicallycombinetheexpertiseofchemists,physicists,engineers,
andtheoreticians,togetherwiththecontributionsofhigh-endana-
lytical instrumentation. The University of Erlangen-Nürnberg hosts
probably the largest and most productive pioneering community
in Europe or even worldwide at the forefront of carbon allotrope
research.TheSFBthereforeconstitutestheidealforumtoadvance
thefieldofsyntheticcarbonallotropestowardsthedesiredgoalof
creatingnewmaterialsforhigh-performanceapplications.
TheSFB953isstructuredaccordingtothreeresearchareasand
twocentralprojects.ResearchareaA(SynthesisandFunctionaliza-
tion) provides thematerials basis of theSFB.Chemical functiona-
lizationofexistingsyntheticcarbonallotropesanddevelopmentof
newcarbonmodificationsbothlieattheforefrontofthiseffort.The
nextlevelwithintheprocesschainisthesystematicinvestigationof
physicalandmaterialspropertiesandthedevelopmentofconcepts
for device fabrication. This is guaranteed by the close interaction
withResearchAreaB(Electronic,OpticalandStructuralProperties)
andthetwoscientificcentralprojects(ZProjects)onhigh-resolution
electronmicroscopyandtandemmassspectrometry.Thishighlyin-
tegratedandinterdisciplinaryapproachoftheSFBalsonecessitates
acloseconnectionwithResearchAreaC(Theory).Bothclassicaland
quantummechanicalcalculationsprovidethebasisforanin-depth
understandingofreactionmechanisms,stabilityaswellaselectro-
nic,optical,structuralandmechanicalpropertiesofsyntheticcarbon
allotropesandtheirderivatives.Moreover,theorywillprovidesome
ofthemostvaluabledesignprinciplesfortheexplorationofhitherto
unknownformsofcarbon.
ContaCt
Speaker:Prof. Dr. Andreas Hirsch
Vice-Speaker:Prof. Dr. Heiko B. Weber
AdministrativeCoordinator:Dr. Frank Hauke
www.sfb953.fau.de
collaBoratiVe research centre sfB 953: “synthetic carBon allotropes”
85Department of Chemistry anD pharmaCy
d f g p r o g r a m s
Approximately30%of thedrugson themarket exert their bio-
logicalactivitiesuponbindingtoG-proteincoupledreceptors(GPCRs).
SeverediseasesarefrequentlyassociatedwithdysfunctionsofGPCRs.
The Research Training Group, located at FAU and at Uni-
versity of Regensburg, Germany, aims to explore the ligand in-
duced control of monoaminergic and peptidergic GPCRs. In ad-
dition to the elucidation of molecular mechanisms, we attempt
to contribute to a rational development of functionally selective
GPCR drugs for the treatment of chronic inflammatory, cardio-
vascularandCNSdiseasesandfordiagnosticpurposes.Theresearch
program is strongly interdisciplinary, covering computer assisted
designofselectiveligands,chemicalsynthesisoftargetcompounds,
theinvestigationofligand-receptorinteractionsandtheelaboration
offunctionalselectivitybyanalysisofligand-specificsignaling.The
TheDFGResearchUnit“funCOS––FunctionalMolecularStructu-
resonComplexOxideSurfaces”(FOR1878)wasestablishedin2013.
Itcomprisesatotalof15groupsandprojectleadersfromtheDepart-
mentofChemistryandPharmacy,theDepartmentofPhysics,andthe
DepartmentofMaterialsScience.funCOSaimsatafundamentalun-
derstandingofmolecularfilmsandorderedstructuresboundtooxide
surfaces.Suchsystemsareat theheartofemerging technologies,
with potential fields of application includingmolecular electronics,
solarenergyconversion,andcatalysis.Inspiteofthepotentialofthese
technologies,thecurrentunderstandingofmoleculeoxideinterfaces
ispoorattheatomiclevel.Whereasthesurfacescienceapproachto
functional organic molecules on metals has provided a wealth of
knowledgeonbondingmechanismsandstructureformation,organic
programspecificqualificationprofileintegrateschemical,radiophar-
maceutical,pharmacological,molecularbiological,bioanalyticaland
biochemicalaspectsofdrugresearch.Themainissuesofthequalifi-
cationprogramsareretreats,workshops,seminarsandonlinesemi-
nars,dealingwithandpromotingthecoreresearchidea.Allgradua-
teswillgettheopportunitytoworkfor3–4monthsintheresearch
laboratoryofacollaboratorabroadtoacquirenewknowledge,apply
modernmethods and techniques and to gain international experi-
enceevenbeforethecompletionofthedoctorate.
ContaCt
Prof. Dr. Peter Gmeiner
www.grk1910.de
oxideinterfaceshaveremainedlargelyunexplored;asituationwhich
wedenotesasthe‘materialsgap’inorganicthinfilmscience.funCOS
aimsatclosingthisgapandatprovidingthefundamentalknowledge
basisrequiredforthedesignoftailor-madeinterfaces.Eventuallythis
knowledgeshouldenableustoperform‘functional landscaping’of
molecularfilmsonoxidesatthenanoscale.
ContaCt
Prof. Dr. Jörg Libuda
www.funcos.fau.de
research training group grK 1910: “medicinal chemistry of selectiVe gpcr ligands”
research unit for 1878: “funcos –– functional molecular structures on complex oxide surfaces”
86 profile 2014
from moLECuLEs to matEriaLs
advanced materials with properties tailored on the molecu-lar scale and mesoscale are expected to stimulate evolutionary advances and revolutionary breakthroughs in emerging key technologies such as information and communications techno-logy, catalysis, energy and transportation. the Cluster of Excel-lence “Engineering of advanced materials –– hierarchical struc-ture formation for functional devices” –– or Eam –– is the only interdisciplinary research collaboration of its type in germany to focus on materials science and processes.
ThevisionoftheClusteristobridgethegapbetweenfundamen-
talresearchandreal-worldapplicationsofmodernhigh-performance
materials inkeyscientificandengineeringareas.Bridgingthegap
betweenmaterials design at themolecular level andmacroscopic
properties (“from molecules to materials to functions”) requires
novel formsof interdisciplinarycooperation.At theCluster200re-
searchers from 9 disciplines (Applied Mathematics, Chemical En-
gineering, Chemistry, Computer Science, Electrical Engineering,
MaterialsScienceandEngineering,Medicine,MechanicalEngineer-
ing,andPhysics)collaborate inmore than75projects, frombasic
researchinphysicsandchemistryaswellasmanyareasofappli-
cationssuchaschemicalandelectricalengineeringandmaterials
science.
rEsEarCh arEas
Cross-sectional topics are explored in three interdisciplinary
centers:
• FunctionalParticleSystems
• NanoanalysisandMicroscopy
• MultiscaleModelingandSimulation
EAMfocusesonfourfieldsofapplicationwhichareorganizedin
valuechainsthatrepresenthierarchicalmaterialclasseswithincreas-
ing complexity:
• Engineeringofnanoelectronicmaterials
• Engineeringofphotonicandopticalmaterials
• Engineeringofcatalyticmaterials
• Engineeringoflightweightmaterials
intErdisCipLinary nEtWorK of partnErs
The Cluster of Excellencewas established at the University of
Erlangen-NürnberginNovember2007withintheframeworkofthe
ExcellenceInitiative.ThefundingbyDFGamountsto70millionEuros
for ten yearswith additional substantial support by the University
andthestateofBavaria.EAMisbasedonexistingandvisibleexcel-
lenceswithintheUniversityofErlangen-NürnbergErlangenaswellas
ontheexpertiseoftheMaxPlanckInstitutefortheScienceofLight,
theFraunhofer Institute for IntegratedCircuits (IIS) andFraunhofer
Institute for IntegratedSystemsandDeviceTechnology (IISB),New
MaterialsFürthGmbH,BavarianCenterforAppliedEnergyResearch
(ZAE),andothernotableacademicandindustrialresearchpartners.
ContaCt
ClusterCoordinator:Prof. Dr. Wolfgang Peukert
ClusterCo-Coordinator:Prof. Dr. Peter Wasserscheid
[email protected],www.eam.fau.de
cluster of excellence engineering of adVanced materials (eam)
d f g p r o g r a m s
88 profile 2014
i n t e r d i s c i p l i n a r y c e n t e r s
The Computer-Chemie-Centrum (CCC) was founded in 1993
asacentral facilityof theFacultyofNaturalSciences II (Chemis-
try,PharmacyandBiology) andwas later integrated into theDe-
partmentofChemistryandPharmacy.CCChousesthreeresearch
groups,thoseofProf.Dr.T.Clark(CCC/OrganicChemistry,Prof.Dr.
B.Meyer (Interdisciplinary Center forMolecularMaterials, ICMM)
andProf.Dr.D.Zahn(TheoreticalChemistry)withatotalofapproxi-
mately50researchers.Prof.(emeritus)P.vonRaguéSchleyeralso
spendspartofeachyearinCCC.
TheresearchtopicstreatedatCCCrangefromproteinandDNA
simulationsandcomputationaldrugdesign through tosimulation
anddesignofnewmaterials.Together,thethreegroupsinCCCuse
aspectrumofcalculationaltechniquesfromclassicalmoleculardy-
namicsandsemiempiricalmolecularorbitaltheorytodensity-func-
tionaltheoryandhigh-levelabinitiocalculations.GroupsfromCCC
areinvolvedinbothSFB953andtheExcellenceClusterEngineering
ofAdvancedMaterials.CCCoffersteachinginmodelingandsimu-
lationandcomputational drugdesignaswell asmore traditional
subjects.Prof.Dr.A.GörlingistheChairmanoftheKollegialeLei-
tungofCCCandProf.Dr.T.ClarkisitsTechnicalDirector.
ContaCt
Apl. Prof. Dr. Tim Clark
www.chemie.fau.de/ccc
computer chemistrycenter (ccc)
emil fischer center (efc) TheEmilFischerCenterservesasaplatformfor interdiscipli-
naryresearchbetweenworkgroupsfrompharmaceuticalsciences,
foodchemistry,chemistry,andmolecularmedicine.
ThegoaloftheEmilFischerCenteristofocus,tocrosslinkand
tosupportthescientificworkonbioactivemolecules,targetproteins
and bioanalytics. Themain topics are the identification of target
proteins,targetproteinformulationandmodulation,ligand-protein
interactionsandtargetproteinsinsignaltransduction.Theintention
behindthisresearchistobridgechemistryandbiomedicalsciences
leadingtothedevelopmentofnovel therapeuticstrategiesandto
understand the interactionofnewbioactivesmallmoleculeswith
theirtargetproteinsandphysiologicalfunction.
TheEmilFischerCenteroperatesthecoreunitforbioanalytics,
where the scientific and technical competence on targeted and
non-targeted metabolome analysis as well as targeted proteo-
meanalysis is focused.Thebioanalyticalexpertisecovers further
techniquesofmolecularbiologyandfunctionalassays.
Furthermore,theEmilFischerCentercoordinatestheinterdisci-
plinaryeducationofstudentsinthefieldofpharmacy,foodchemis-
try andmolecularmedicine. Excellent post graduates are trained
intheEmilFischerGraduateProgramme,whichisoperatedbythe
EmilFischerCenter.
ResearchattheEmilFischerCenterandtheEmilFischerGrad-
uate Programme is supported by several organizations and re-
searchcollaborations,suchastheDFGgraduateprogram1910as
wellasthecollaborativeresearchcenterSFB796,theFAUEmer-
gingFieldInitiative,theBMBF,EU,EliteNetworkofBavaria,andthe
BayerischeForschungsstiftung.
ContaCt
Prof. Dr. Monika Pischetsrieder
www.efc.fau.de
89Department of Chemistry anD pharmaCy
i n t e r d i s c i p l i n a r y c e n t e r s
The Institute of Advanced Materials and Processes (ZMP) is
aninterdisciplinaryresearchcenterwithmorethan80coworkers
originating fromchemistry,materials scienceandengineering. In
June2006nomorethan20personsmoved into thefriendlyand
innovative environment at the “city of Fürth” and step by step
breathed life into the concept of interdisciplinary research of 4
chairs from the school of engineering, 5 chairs of the Faculty of
Engineering and one chair of the Department of Chemistry and
Pharmacy(OrganicChemistryII).ZMPisadministeredbyacoope-
rative headship formed by the seven professors involved (Profs.
R.Singer,M.Göken,P.Greil,C.Körner,A.Hirsch,M.Schmidtand
P.Wasserscheid)andanexecutiveboard(Dr.F.Hauke,Dr.M.Lodes).
In2013,theZMPwasexpandedbytheapplicationCenterVerTec.
Thefocusofresearchistheconstructionofrevolutionarylight
weightmaterialsandincludesthefundamentalinvestigationofno-
velcompoundclasses,thedevelopmentofvisionaryconceptsand
processesaswellastheapplicationoftheinsightsgainedforthe
constructionof prototypes.Thecontribution from theDepartment
ofChemistryandPharmacyisthefunctionalizationandcharacteri-
zationofinnovative,functionalcarbonallotropesbasedoncarbon
nanotubesandgrapheneunder the supervisionofProf.A.Hirsch
andDr.F.Hauke.
Theinterdisciplinarityaspectisfurtherreflectedbythejointef-
fortsofresearchersalsoinvolvedinotherresearchcentersofFAU
suchastheClusterofExcellenceEngineeringofAdvancedMaterials
(EAM),theInterdisciplinaryCenterforMolecularMaterials(ICMM),
theGraduateSchoolMolecularScience(GSMS)andtheCollaborati-
veResearchCenterSFB953“SyntheticCarbonAllotropes”.
ContaCt
Dr. Frank Hauke
www.zmp.fau.de
WiththeinaugurationofECRCin2008,theUniversityestablished
the new and unique curriculum“catalysis” which brings together
scientistsfromchemicalengineering,syntheticorganicandinorganic
chemistrysupplementedwithexpertisefromphysicalandtheoreti-
calchemistry.14researchgroupsfromtheDepartmentofChemistry
andPharmacy(DCP)andtheDepartmentofChemicalandBiological
Engineering(CBI)participateinthecenterrepresentinganactiveand
highlyinterdisciplinarycommunityofchemistsandengineerswork-
inginthefieldsofhomogenous,heterogeneousandbiocatalysisas
wellaschemicalreactionengineeringandsurfacescience.ECRCre-
presentsacenterfortheintegratedinvestigationofcomplexcatalytic
materialsandprocessesaimingatthecombinationofcatalystand
processdesign.Researchwithinthecenteriscurrentlyfocusingon:
• thedesignofnovelcatalystsforsustainableprocessesand
energyapplications,
• theuseofalargenumberofspectroscopictechniquestostudy
catalystsunderworking(“operando”)conditions,
• thedevelopmentofnewreactorconcepts,
• processintensification.
Moreover, ECRC is part of the interdisciplinary undergraduate
andgraduateeducationincatalysis.Particularemphasisisplaced
ontheintegrationof(undergraduate)studentsintostate-of-the-art
catalysisresearchatanearlystageoftheireducation.
ECRCismanagedbyanexecutiveboardelectedbythemem-
bersofthecenterwhichpresentlyconsistsoftwoscientistsfrom
CBI (Prof. Dr. P.Wasserscheid and Prof. Dr. K. E.Wirth) and two
scientistsfromDCP(Prof.Dr.K.MeyerandProf.J.Libuda)andthe
ProfessorofCatalysiswithinECRC(Prof.Dr.M.Hartmannasperma-
nentmemberundcurrentspeaker).
ContaCt
Prof. Dr. Martin Hartmann
www.ecrc.fau.de
erlangen catalysis resource center (ecrc)
institute of adVanced materials and processes (zmp)
90 profile 2014
i n t e r d i s c i p l i n a r y c e n t e r s
ICICP was founded in 2004 with the idea to coordinate and
strengthen cooperation between research groups in the field of
surfaces, interfaces, andnanostructuredmaterials.Today, around
20groupsfromtheDepartmentsofPhysics,ChemistryandPhar-
macy,ChemicalandBiologicalEngineering,andMaterialsScience
andEngineeringactivelyparticipate.Theresearchofthesegroups
focusesonthreeareas:(i)thepreparationandcharacterizationof
interface-modifiedgeometric structures, (ii) theoretical andexpe-
rimentalinvestigationsofstructure-propertyrelationshipsininter-
face-modified structures and their applications, (iii) interfaces
of particulate systems and interface-stabilized nanoparticles. An
intrinsicstrengthof thecenter is thecomplementaryexpertiseof
theparticipatinggroups.Bundlingthisknow-how,ICICPhascont-
ributed to the evolution of a lively and interdisciplinary research
environment, inwhichnumerous joint activitieshavebeen initia-
ted.Since2013,mostICICPgroupsareactivelycooperatingwithin
theDFGResearchUnitFOR1878“funCOS––FunctionalMolecular
StructuresonComplexOxideSurfaces”.
Besidesresearch,interdisciplinarygraduateandundergraduate
education is the second focus of ICICP. Offering lab-courses and
contributing to Master programs, it aims at integrating excellent
students intocutting-edgeresearchatanearly levelof theirstu-
dies.Intermsofgraduateeducation,ICICPisorganizingascientific
seminarprogramand,mostimportantly,a4-terminterdisciplinary
graduatecourse.Theseactivitiesprovideathoroughbasisofinter-
disciplinaryeducationinstate-of-the-artresearchandfosterdirect
scientificexchangebetweenthePhDstudents.
ContaCt
Prof. Dr. Jörg Libuda
www.icicp.fau.de
interdisciplinary center for interface-controlled processes (icicp)
interdisciplinary center for molecular materials (icmm) Molecularmaterialsrepresentafundamentalandinterdiscipli-
naryresearchareaattheinterfacebetweenchemistry,physicsand
materials science.At the same time they provide the basis for a
varietyoffuturetechnologies.Materialsbasedondefinedmolecular
buildingblocksarecharacterizedbytuneableperformances,which
isofgreatimportanceforhigh-endapplicationsinnanoelectronics,
medicineandenergyconversion technologies. ICMMservesasa
platformforinterdisciplinaryresearchprojectsinthefieldofmole-
cularmaterialsandnanotechnology.Currently,ICMMhouses20re-
searchgroups.Theircomplementaryresearchexpertisespansfrom
thesynthesisandthesupramolecularoganizationofnewmolecular
architectures including fullerenes, carbon nanotubes, polyyines,
porphyrinsanddendrimers to thedevelopmentofopto-electronic
devices.Nexttomoleculesalsonanoparticles,ultrathinlayersand
interfaces are investigated. Physical characterization is achieved,
for example, by single-molecule conductivity measurements, by
timeresolvedphotophysicalinvestigationsandmodernmicroscopy
techniquesincludingTEM,STMandAFM.TheresearchatICMMis
supportedbyavarietyoforganizationssuchasDFG,BMBF,EUand
theBayerischeForschungsstiftung.
Inaddition,closescientificcollaborationwithindustriallabora-
toriesservesasamajorstimulusfordevelopingnewapplications
for molecular materials. Modern student training programs, in
particular the subject Molecular Science, which was established
12yearsagoat theFAUasaconsecutiveBachelor/Mastercurri-
culum, aswell as recruitment of excellent international graduate
studentsandpost-docsguaranteesacontinuoussupplyofhighly
qualifiedresearchesforICMM.
ContaCt
Prof. Dr. Andreas Hirsch
www.chemie.fau.de/icmm
91Department of Chemistry anD pharmaCy
i n t e r d i s c i p l i n a r y c e n t e r s
The Zentralinstitut für Scientific Computing (ZISC) arose from
Research Area A3 (Multiscale Modeling and Simulation) of the
ExcellenceClusterEngineeringofAdvancedMaterials.ZISCisthe
umbrellaorganizationforallmodelingandsimulationactivitieswith-
inFAU.TheComputer-Chemie-Centrum(CCC)isthelargestsingle
centerwithinZISCandthecomputationalgroupsintheDepartment
ofChemistryundPharmacyplayamajorrole inZISC.Prof.Dr.B.
MeyerandProf.Dr.D.ZahnaremembersofZISC,Prof.Dr.A.Görling
isamemberof theboardofZISCandProf.Dr.T.Clark isdeputy
speaker.ZISCorganizesworkshopsonsubjectssuchasparalleliza-
tion and performance occupation of computer programs and co-
ordinatescooperativeresearchprojects.ZISCishometotheProcter
&GambleSimulationCenter.TheZISCmanagement collects and
coordinatesshorttrialmodelingandsimulationprojectswithinProc-
ter&Gambleanddistributesthemtotherelevantresearchgroups
withinFAU.Theaimofsuchprojectsisthat,afteraproof-of-prin-
ciplestage, theydevelop into fully-fledged joint researchprojects
betweenProcter&GambleandthegroupscollectedwithinZISC.
ContaCt
Prof. Dr. Tim Clark
www.zisc.fau.de
zentralinstitut für scientific computing (zisc)
92 profile 2014
g r a d u a t e s c h o o l s
The Graduate School Advanced Materials and Processes (GS
AMP)hasbeenestablishedwithin the frameworkof theClusterof
Excellence Engineering ofAdvancedMaterials in 2009. It offers a
programforgraduateswhoareinterestedinresearchontopicsre-
latedtotheClusterofExcellence.
ThevisionoftheGSAMPistosupporttheevolutionofyoungdoc-
toralresearchersintoanewgenerationofscientistscapabletopur-
suecareersatanexecutivelevel.Successfulresearchinnaturaland
engineering sciences in interdisciplinary and international teams re-
quirescreativescientistswhocanprovidecross-disciplinaryandin-
terculturalcompetences.Thecentralaspectistheuniqueexcellence
oftheindividualdoctoralproject,imbeddedintoatrainingprogram
inmultidisciplinaryresearch,internationalnetworkingandsoftskills
development.GSAMPgraduatesworkoninnovativenanoelectronic,
catalytic,opticandphotonic,aswellaslightweightmaterialsfocus-
ing either on functional particle systems, nanoanalysis andmicro-
Training future generations of scientists to discover promising
newdrugsandtargetproteinsinnovelways:
TheprogramleadstoaDr.rer.nat.degreeinoneofthemostdy-
namicandexpandingfieldsofcurrentscience.Theprogramaimsto
educatestudentstoaddressthemajorquestionsinpharmaceutical
sciencesandmolecularmedicine,teachstudentsthebasicsciences
neededtoanswerthesequestions,andcreateanenvironmentwhere
studentscandevelop into independentandcreativescientists.The
program ismultidisciplinaryandhasadual focus:pharmaceutical
sciencesandmolecularmedicine.
ContaCt
Coordinator: Prof. Dr. Markus Heinrich
Administrativeoffice:Petra Neubarth
www.efs.fau.de
emil fischer graduate programme of pharmaceutical sciences and molecular medicine
graduate school adVanced materials and processes
scopy or multiscale modeling and simulation. Their common re-
searchapproachistodevelopandoptimizeadvancedmaterialsalong
theentireprocesschain,fromthemolecularleveltotheirapplication
inproductsofteninclosecooperationwithindustrialpartners.
With special activities as the EAMWinter/Summer School, the
EAMYoung Researchers Day and lectures on EAM topics, the GS
AMPsuccessfullycreatesafruitfulandproductiveenvironmentfor
anexcellent educationof the futuregenerationof interdisciplinary
scientists.
ContaCt
Speaker:Professor Dr.-Ing. Hannsjörg Freund
ProgramDirector:Dr. Marlene Reuschel
www.eam.fau.de/graduate-school
93Department of Chemistry anD pharmaCy
g r a d u a t e s c h o o l s
Molecular organization and transformations form the basis for
lifeonearth.Researchonstructuresandpropertiesofmoleculesand
theabilitytosynthesizespecifictargetmoleculesaretwoofthemost
importantfoundationsoftheprogressmadeinmedicineandtech-
nologyinthelastcenturyandwillgainevenmoreimportanceinthe
future.Weare living inthe“ageof themolecule”.Thedemandfor
adequate food,energy,pharmaceuticals,medicalcareand thede-
velopmentofnew,high-performancematerialscanonlybesatisfied
by cooperative, interdisciplinary researchdesigned todevelopand
understandnewmolecularconcepts.
In order to satisfy these demands, we must strengthen aca-
demictrainingininterdisciplinarytechniquesthathavemoleculesas
theircommontheme.TheUniversityofErlangen-Nürnberg(FAU)has
alreadymadethefirststepinthisdirectionbyestablishingthecon-
secutiveB.Sc./M.Sc.degreecourseMolecularSciencein2001.The
extraordinarysuccessofthisdegreecourseandthelargenumberof
applicationsfromalloverGermanyunderlinetheimportanceofthis
concept.Asalogicalconsequenceandgiventheexperienceweob-
tainedwithinthelastyearsofthiscourse,wehavefoundedin2008
theGraduateSchoolMolecularScienceattheFAU,withsupportof
theBavarianinitiative“Bayernexcellent”.Supervisedbyexcellentre-
searchers,elitestudentsfromchemistry,physics,pharmacy,chemi-
cal and bioengineering,materials science,molecular science, and
relatedfields,are trainedtosolvemolecularproblems in industrial
andacademicresearchsuccessfullybytailoredtrainingininterdisci-
plinaryresearchandtechniquestoenhancecommunicationbetween
disciplines.ThebasisoftheGSMS,molecules,isaclearlydefinedand
homogenoustrainingandresearchareadespitethebroadnessofthe
variousresearchfields.Theexperimentalandtheoreticaltechniques
usedintheindividualdisciplinesarecomplementary.Ourexperience
sofarhasshownthatthisconceptworksexceptionallywellandgives
great stimulus to research.Newly conceived teaching concepts in
frontierareasprovideimportantimpetuswhichalreadyledtoalar-
ge series of seminal publications in first-class journals. Thus, we
havepreparedtheidealenvironmentfortheGSMStodevelopintoa
world-leadingcenterforacademiceducationinMolecularScience.
Currently, 60 students are enlisted in the GSMS programwith
24academicteachersasmembers.Withalectureprogramhosting
nationally and internationally recognized leaders in their research
fields,awinterschoolandaccesstoalltrainingcoursesoftheuni-
versityforsoftskilldevelopment,languages,andothers,theGSMS
actively promotes the personal and scientific development of its
graduatestudents.
TheGSMSisstronglyconnectedandscientificallylinkedtothree
researchcentersat theFAU.The InterdisciplinaryCenter forMole-
cularMaterials(ICMM)attheFAUservesasaplatformforinterdis-
ciplinary researchprojects in thefieldsofMolecularMaterialsand
Nanotechnology. The Erlangen Catalysis Resource Center (ECRC)
mergesscientistsfromchemicalengineeringandsyntheticorganic
and inorganicchemistry, supplementedwithexpertise fromphysi-
calandtheoreticalchemistry.TheComputerChemistryCenter(CCC)
offers excellent experience and capability in modeling molecules,
supramolecules,andmaterials.
ContaCt
Coordinator: Prof. Dr. Andreas Hirsch
Programmanager:apl. Prof. Dr. Norbert Jux
www.gsms.fau.de
graduate school molecular science
94 profile 2014
c u r r i c u l u m
TheUniversityofErlangen-Nürnberg ispartofanextended in-
ternational network andmaintains close ties withmore than 500
partner universities all over theworld. Researchers fromErlangen
andNürnbergworkcloselywithleadinguniversitiesthroughoutthe
world inmore than 130 research collaborations.TheUniversity of
Erlangen-NürnbergisoneofthemostattractiveGermanuniversities
forvisitingacademicsfromabroad.EveryyearmoreandmoreHum-
boldtscholarsandprize-winningresearcherschoose thisNorthern
Bavarianuniversityastheirresearchbase.
The main focus of the University of Erlangen-Nürnberg in re-
searchandteachingistobefoundattheinterfacebetweenNatural
Sciences, Engineering andMedicine in close cooperationwith the
classical university disciplines Law,Theology and the Humanities.
Economics,SocialandEducationalSciencescompletetherangeof
subjectsoffered.
The University offers an enormous variety of subjects inmore
than 242 different degree courses. Even at undergraduate level
studentshavemanyopportunitiestoexperienceadvancedlevelsof
researchwhichenablethemtobenefitfromtheinterdisciplinary,in-
ternationalandpractically-orientedrangeofcoursesonoffer.
The department of Chemistry and pharmacyisresponsibleforthefollowingstudycourses
• ChEmistry BachelorofScience(B.Sc.)/MasterofScience(M.Sc.)
• moLECuLar sCiEnCE BachelorofScience(B.Sc.)/MasterofScience(M.Sc.)
• ChEmistry tEaChEr’s dEgrEE Gymnasium/Realschule/Hauptschule/Grundschule
• pharmaCy StateExamination
• food ChEmistry StateExamination
Morethan1,800studentsareeducatedandtrainedintheafore-
mentioned programs. In addition, the Department of Chemistry and
PharmacyisinvolvedinthechemistryeducationoftwelveotherB.Sc./
M.Sc.programsrangingfrommedicaltoengineeringsciences:every
yearmore than2,000students fromotherprogramsattendclasses
andlabcoursesinthevariousfieldsofchemistry.
InclosecollaborationwiththeDepartmentofDidactics(Didactics
ofChemistry)wetrainfutureschoolteachersfordifferentschoollevels,
frombasictoupperschool.
Qualifying for the future: our degree programs
95Department of Chemistry anD pharmaCy
c u r r i c u l u m
The established study courseChemistry is based on awide-
rangingbasicandadvancededucationinthekeysubjectsofchem-
istry. Students educated at FAU receive substantial chemical
knowledgeinallaspectsofthisnaturalscience.
Chemistryincludesthecoredisciplinesofinorganicandgeneral
chemistry, organic chemistry, physical chemistry and theoretical/
computationalchemistry.Thesubstantialeducationisperformedby
lecturesandseminarsandthroughintenseexperimentalwork.Lab
coursesallowdirectinsightintothebasicandapplicationoriented
chemicalresearchandsupportthelectureseries.
Our consecutive Chemistry program is divided into a three-
yearBachelor(B.Sc.)plusatwo-yearMaster(M.Sc.)program.Basic
principlesaretaughtduringtheBachelorprogramtopreparethe
studentsforgraduatestudiesinchemicalandrelatedsciences.The
Masterprogramfocusesonvarioussubjectsinchemicalcoredisci-
plines.Inaddition,varioussubjectscanbechosentoprovidedeeper
insightintospecifictopicsrelatedtochemistryorinterdisciplinary
aspects.TheMasterprogramalsoincludesa6-monthresearchpro-
ject (master thesis)whichusually concludes the courseof study.
TheMaster’sdegreeprogramistaughtinEnglish.
Chemicalexpertiseisrelevantinmanydifferentfieldsrelated
toenergy,nutrition,health,mobilityandcommunication.Chemical
and pharmaceutical industry, research institutes, universities and
thepublicsectorareonlyafewemployerswhoofferinterestingjob
opportunitiesforourhighlyeducatedalumni.
TheBachelor’sdegreeprograminChemistryisadmissionfree.
ContaCt
Students’Dean: Prof. Dr. Jürgen Schatz
www.chemie.fau.de/studium
Current molecular sciences are profoundly interdisciplinary.
Taking this into account, the Bachelor and Master degree
programs Molecular Science are both science and technology
oriented course programs including biochemistry, molecular bio-
logy, medicine, materials sciences, and pharmacy. The Bachelor
program of six semesters consists of basic studies (which are
relatedtotheChemistrydegreeprogram)followedbyaspecialization
ineitherMolecularNanoScienceorMolecularLifeScience.
In both tracks, Molecular Life Science and Molecular Nano
Science,themolecularaspectsarethemainissuesdifferinginthe
relevantapplications,i.e.,lifescienceormaterialscienceoriented.
Theseaspectsalsoserveasfocusintheobligatorymastermodules
DrugDiscoveryorNanoScience.
MolecularSciencegoesfarbeyondthegeneralunderstanding
ofchemistry.The implementationofa two-yearMaster-levelpro-
graminMolecularScienceattheUniversityofErlangen-Nürnberg
tacklesnewscientificandtechnologicaldevelopmentswithempha-
sisonthesmallestrelevantunits:themolecules.TheMaster’sde-
greeprogramistaught inEnglish.Thecombinationofknowledge
insynthesischemistrywithasolidmicrobiologicaleducationisin
demandinlifescienceindustry(e.g.,biotechnology,bioengineering,
drug discovery). In nanotechnology, various job prospects are in
modernmaterialssciencesorientatedbranchesoftechnology(e.g.,
nanotechnology,microelectronics,energyresearch).Withregardto
thegrowingdemandinmolecularwell-trainedgraduatesinchem-
icalandpharmaceuticalcompanies,thejobopportunitiesareexcel-
lent.
ContaCt
Students’Dean: Prof. Dr. Jürgen Schatz
www.chemie.fau.de/studium
chemistry (B.sc. / m.sc.) molecular science (B.sc. / m.sc.)
96 profile 2014
c u r r i c u l u m
Pharmacy isascientificdisciplineat the interfaceofchemis-
try,biologyandmedicine.Pharmaceuticalsciencesarefocusedon
all aspects of bioactive compounds used as drugs, including the
development, synthesis, quality control, preparation, and storage
ofpharmaceuticals,aswellas theirbiologicaleffectsandsafeof
application.
Ourfour-yearcurriculumincludeslectures,seminars,tutorials,
aswellasarangeofintensivelaboratorycoursesinwhichstate-of-
theartscientificandinstrumentalmethodsarepresentedandused.
ReflectingtheinterdisciplinarycharacterofPharmacy,subjectsthat
aretaughtinthefirsttwoyearsincludephysics,inorganic,organic,
andanalyticalchemistry,aswellasbiochemistry,physiology,and
microbiology.Thefirstsectionof thePharmaceuticalExamination
concludes thisfirst,basicpartof thecurriculum. In the thirdand
fourth year, the curriculum focuses on specific pharmaceutical
discipline, includingMedicinalChemistry,PharmaceuticalBiology,
PharmaceuticalTechnology/Biopharmacy,Pharmacology/Toxicology,
aswellasClinicalPharmacy.Uponpassingthesecondsectionof
thePharmaceuticalExamination,graduatesarerequiredtoperform
a12monthspharmaceutical internship before they can take the
thirdandfinalsectionofthePharmaceuticalExamination,andsub-
sequently,applyforthestatelicensureasaPharmacist.
WhilethemajorityofPharmacygraduatestakeupjobsatdrug
stores or hospital pharmacies, professional opportunities also in-
cludeteachingandresearchatuniversitiesandotherresearchin-
stitutes,thepharmaceuticalindustry,aswellaspublicandprivate
healthagenciesandtestinglaboratories.
PharmacygraduatesarealsoeligibletoenteraPhDprogramat
oneofthegraduateschoolsatouruniversity.
ContaCt
Students’Dean: Prof. Dr. Jutta Eichler
www.chemie.fau.de/studium
Foodchemistsareexpertsinthefieldofthechemicalcompo-
sition,analysis,andproductdesignoffoodsandcosmetics.More-
over, they understand how food constituents affect the human
organismandhaveabasicknowledgeabouttheindustrialproces-
singoffoodstuffs,therespectivejuridicalevaluation,andoftherole
ofmicroorganismsinfoodproductionandspoilage.
Traditionally,foodchemistsworkinthefoodindustry,forthefood
controlauthorities,orincommerciallaboratories.However,theyare
alsowellindemandwhenanalyticexpertiseisneeded,forexample,
inforensicsorinthepharmaceuticalandcosmeticsindustry.
Especially in the second (main) study period, food chemistry
courses inErlangenarecharacterizedbyasmallnumberof stu-
dentsintherespectivegroupsandproject-orientedlearning.Theory
lecturesaremostlyenlargedbypracticalcourses.Duringthefirst
four terms, students attain the scientific basics in mathematics,
physics, biology, chemistry, and biochemistry. This knowledge is
vitalforthesubsequentfoodchemistrycoursesduringthefollowing
terms.Duringthemainstudyperiod,thestudentsconcentrateon
issues of food chemistry. Several extensive lab courses offer the
opportunitytopracticeelementaryanalyticalmethodsaswellasto
applymodernbio-analyticalandinstrumentaltechniques.Thefood
chemistrycoursesarecompletedbylecturesinnutritionalphysio-
logy, food technology,microbiology, food law, toxicology, forensic
analysis,qualitymanagement,andthechemistryandanalyticsof
cosmetics.
Astateexaminationfinishesuniversityeducation,usuallyafter
nine terms.Subsequently, graduates canaddone year of further
professionaltrainingtoqualifyascertifiedfoodchemists(“staatlich
geprüfteLebensmittelchemiker”)and/orcandotheirPhDinvarious
naturalsciencesormedicine.
ContaCt
Prof. Dr. Monika Pischetsrieder
www.chemie.fau.de/studium
pharmacy food chemistry
CurriCuLum vitaE
since 2005 UniversityFullProfessor,ProfessorofChemistry
TeachingattheUniversityofErlangen-Nürnberg,
Germany
2002 – 2005 ScientificassistantinDidacticsofChemistry,
OldenburgUniversity,Germany
1989 – 2002 ScientificassistantinDidacticsofChemistry,
HalleUniversity,Germany
1985 – 1989 Secondaryschoolteacherandclassteacher,
Hoyerswerda,Germany
Chemistry education, especially chemistry didactics, is a very
important part of the education and advanced training for chem-
istryteachers.Itcomprisesboththeoryandpracticeofhowtoteach
chemistrytopicsandhowstudentslearnchemistry.
Chemistry education includes lectures such as the “basics of
chemistryeducation;seminars;andlaboratorypractice.Laboratory
practice includes ‘school experiments in chemistry’” which the
students have to pass and also contains instruction such as how
toset-upexperimentsinchemistryclasses.Thesecoursesaddress
multiple education levels: elementary school, secondary general
school,intermediatesecondaryschool,andgrammarschool.Experi-
ence in planning lessons and lessons learned from first-year tea-
chersaretaughtduringpracticaltrainingattheschools,inconjunc-
tionwiththeuniversitychemistryeducationcourses.
In addition to training students, the faculty of the Teaching
MethodologyofChemistryalsoprovidesscientificin-service-training
toteachers.Theworkofthein-serviceTrainingCentre,supportedby
97Department of Chemistry anD pharmaCy
c u r r i c u l u m
food chemistry
GDCh,isguidedbythethreeprinciples:“competence––cooperation
––authenticity.” Development of scientific teaching, application of
didacticresearchtopracticalteaching,actualassistanceinteaching
classes,andassistancewithcreatingnewsyllabiaretheprogram’s
aims.Approximately70coursesofvariouschemistrytopicsandtheir
classroomimplementationareofferedfordifferenteducationlevels
annually.
Practicalexperienceisnecessarywhenteachingscience.There-
foretheNESSI-Lab,achemicallabforchildren,wasfoundedin2005.
Onceaweek,studentsbetweenfirstandsixthgradecanvisit the
University to gain experience in chemistry applications. Chemistry
educationstudentsassistthechildrentoconductexperimentsabout
water, air, fire, andearth.The labexperiments efficiently correlate
experimentswithrealworldconceptsandmaterialsthatarerelevant
tostudents.
While these experiments could be easily constructed in class,
settinguptheexperimentsinaseparate,student’slaboratoryadds
thebenefitsofanextracurricularlearningplace.
OpeningtheNESSI-Labforspecialeducationschoolsandhigher
schoolgradesarecurrentresearchprojectsatthechairofchemistry
education.Toorient theexperiments to thespecialneedsofchild-
renwith hearing and learning disabilities, the experiments and its
instructionhavetobeadapted.ThecombinationofE-Learningand
practicalexperimentswithintheframeworkofabusinessgameof-
fersacontext-basedmethodforclassesfrom7th to 12thgrades.Both
projectsareaccompaniedwithstudies.
AnotherfocusofresearchisMicroscaleChemistryanditsimple-
mentationatschools.Microscaleisanenvironmentallysafe,pollu-
tionpreventionmethodofperformingchemicalprocesses.Without
compromisingthequalityandstandardofchemicalapplications in
education, even small quantities of chemicals areused formicro-
scale experiments. Reduced costs, shorter experiment times, and
reducedstoragesrequirementsareexamplesofthebenefitsforits
applicationatschools.Otherfieldsofresearchcontents“chemistryin
context”aswellas“mediaandexperiments”.
ContaCt
Prof. Dr. Andreas Kometz
www.chemiedidaktik.fau.de
www.chemie.fau/studium
didactics of chemistryprof. dr. andreas Kometz
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pharmacy/food Chemistry,Schuhstr.19,91052Erlangen
organic Chemistry, Henkestr.42,91054Erlangen
Computer Chemistry Center, Nägelsbachstr.25,91052Erlangen
inorganic Chemistry,Egerlandstr.1,91058Erlangen
physical/theoretical Chemistry, Egerlandstr.3,91058Erlangen
“Chemikum”, underconstruction
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published by: DepartmentofChemistryandPharmacy,UniversityofErlangen-Nürnberg;Editorial office:Dr.CarmenPospisil,ManagingDirector, DepartmentofChemistryandPharmacy;photography:DepartmentofChemistryandPharmacy,GerdGrimm,ErichMalter,istockphoto.com;graphic design:zur.gestaltung,Nürnberg;print: FahnerDruckGmbH,Nürnberg;date:9/2014
[email protected] / www.chemie.fau.de