department of chemistry and pharmacy - FAU · . Department of Chemistry anD pharmaCy 3 editorial...

department of chemistry and pharmacyprofile 2014

www.chemie.fau.de

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

4 profile 2014


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.



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.



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


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


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.


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


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


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.


• 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.


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


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.


• 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.


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


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.


• 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.


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


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.


• 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.


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


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.


• 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.


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


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.


• 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.


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


P r o f e s s o r s


• 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.


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


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.


• 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


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


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.


• 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.


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


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


• 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.


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


P r o f e s s o r s


• 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.


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


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


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.


• 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.


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


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.


• 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.


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


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.


• 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.


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


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


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.


• 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.


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


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


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.


• 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.


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


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


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.


• 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.


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


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


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.


• 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.


Chemistrytraditionallyhasbeenasciencedominatedbyexperi-

ment. However, over the last three decades theory has strongly

gained in importancewithinchemistry.Nowadays jointprojectsby

CurriCuLum vitaE

since 2004 UniversityFullProfessorofTheoreticalChemistryandDirector

oftheComputerChemistryCenter(CCC)attheUniversity


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


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.


• 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.


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


P r o f e s s o r s


• 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.


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


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.


• 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.


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


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.


• 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.


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


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.


• 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.


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


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.


• 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


P r o f e s s o r s

ponsesthatareassociatedwithacceptance,preferenceorrejectionof

smellsorsmell-associatedmaterialsandsituations.


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


• 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.


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


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


• 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.


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


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


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.


• 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.


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


1977 – 1993 AcademicCounciloroftheInstituteofOrganicChemistryatthe


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


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.


• 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.


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),


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


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.


• 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.


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


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)


• 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


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


• 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.



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,


2005 PostdoctoralFellow,UniversityofÅrhus

(Prof.Jørgensen),Denmark

2004 PostdoctoralFellow,UniversityofDuisburg-Essen

(Prof.Jansen),Germany

2003 PhD,TheoreticalChemistry,Heinrich-Heine

UniversityofDüsseldorf,Germany


• 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


2004 – 2010 Habilitand,TheoreticalChemistry,University


2003 – 2004 PostdoctoralFellow,TheoreticalChemistryatthe

TechnischeUniversitätMünchen(TUM),Germany


UniversitätBonn,Germany


VrijeUniversiteitAmsterdam(Prof.Baerends),NL

2000 PhDinInorganicChemistry,TechnischeUniversität

München(Prof.W.A.Herrmann),Germany

1997 DiplomaDegreeinChemistry,Technische UniversitätMünchen,Germany


• 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




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.


• 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,


2000 – 2005 ResearchAssistant,PharmacyandFoodChemistry,


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


since 2010 Lecturer(PD),PhysicalChemistryattheUniversity


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



• 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



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


2003 PhD,OrganicChemistry,ComputerChemistry

Center,UniversityofErlangen-Nürnberg,Germany


• 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


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


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


• 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


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


• 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



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


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


Theresearchinourgroupisdedicatedtothedevelopmentandinvestigationofmolecularswitchesandmagneticmaterials.Muchattentionispaidtothesynthesisandstudiesofbistablemetalcom-plexesthatcanbereversiblyswitchedatroomtemperature.Toac-complishourgoals strongly interdisciplinaryapproachcomprisingsyntheticinorganicandorganicchemistry,photochemistry,appliedspectroscopyandtheoreticalcalculationsisused.


• 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


• 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


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


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


Ourgeneralaimisanatomicormolecularunderstandingofsur-facechemistryandsurfaceprocessesoncatalyticallyactivemetals.Wefocusonthein-situanalysisofsurfacesandinterfacesfacilitatingsynchrotronradiationfor(1)studyingmodelsystems,fromflatsurf-acestonanoclusters(2)hydrogenstorageandreleaseinliquidorga-nichydrogencarriersandthedevelopmentofnovelcatalystsystemsfor these reactions (3) the functionalizationandchemicalmodifi- cationofgrapheneforapplicationinfutureinformationtechnology.


• 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


• 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



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


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.


• 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


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.


• 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

[email protected]

www.sfb953.fau.de

collaBoratiVe research centre sfB 953: “synthetic carBon allotropes”



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

[email protected]

www.grk1910.de

oxideinterfaceshaveremainedlargelyunexplored;asituationwhich

wedenotesasthe‘materialsgap’inorganicthinfilmscience.funCOS

aimsatclosingthisgapandatprovidingthefundamentalknowledge

basisrequiredforthedesignoftailor-madeinterfaces.Eventuallythis

knowledgeshouldenableustoperform‘functional landscaping’of

molecularfilmsonoxidesatthenanoscale.

ContaCt

Prof. Dr. Jörg Libuda

[email protected]

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)


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

[email protected]

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

[email protected]

www.efc.fau.de



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

[email protected]

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

[email protected]

www.ecrc.fau.de

erlangen catalysis resource center (ecrc)

institute of adVanced materials and processes (zmp)

90 profile 2014


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

[email protected]

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

[email protected]

www.chemie.fau.de/icmm



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

[email protected]

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

[email protected]

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

[email protected]

www.eam.fau.de/graduate-school


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

[email protected]

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


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

[email protected]

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

[email protected]


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

[email protected]


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

[email protected]


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


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

[email protected]

www.chemiedidaktik.fau.de

www.chemie.fau/studium

[email protected]

didactics of chemistryprof. dr. andreas Kometz

98 profile 2014

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SiteplancreatedbyIngenieurbürofürKartographieBernhardSpachmüller

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

department of chemistry and pharmacy - FAU · . Department of Chemistry anD pharmaCy 3 editorial...

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