12th Central European Training School on Neutron TechniquesBudapest Neutron Centre6 - 11 May 2018Book of Abstracts

Preliminary PROGRAMME CETS2018, Budapest 12th CETS, 6-11 May 6 7 8 9 10 11 Sunday Monday Tuesday Wednesday Thursday Friday 9-9.45 Lecture Introduction to neutrons F. Mezei (BNC/ESS) Lecture Introduction to SANS A. Len (BNC) Lecture Introduction to Neutron Reflectometry M. Avdeev (JINR) Practical work at spectrometers by groups Practical work at spectrometers by groups 9.45-10 Break 10-10.45 Lecture Radiation protection A. Szakál (BNC) Lecture Polarized neutrons B. Faragó (ILL) Lecture Three-axis Spectrometry G. Krexner (Univ. of Vienna) 10.45-11 Break 11-11.45 Lecture Neutron diffraction Esko Oksanen (ESS) Lecture Neutron radiography L. Szentmiklósi (BNC) Lecture Prompt Gamma Activation Analysis L. Szentmiklósi (BNC) 12-14 LUNCH 14-14.45 Lecture TOF F. Mezei (BNC/ESS) 14-17 Visit to Mirrotron Ltd.

Zsolt Ludányi / Zsombor Sánta 14 – 17 Practical work at spectrometers by groups 14 – 17 Practical work at spectrometers by groups 14 – 17 Practical work at spectrometers by groups 14.45-15 15-16 REGISTRATION (Hotel Mercure) 16 – 19 Welcome: J. Füzi (BNC) Lecture Neutron facilities at the BNC L. Rosta (BNC) Coffee break (around 17.30) Flash presentations by attendees (Hotel Mercure) 17 - 18 User access at BNC R. Baranyai (BNC) Closing and handover of Certificates (prizes) 19-21 Welcome reception and poster session DINNER

1 Neutron crystallography of membrane proteins Swati Aggrawal1* 1 European Spallation Source ERIC * swati.aggarwal@ess.se Hydrogens play a crucial role for protein function and involved in almost every mechanism. They are critical in understanding the function of various proton pumps such as bacteriorhodopsin (BR) and cytochrome oxidase C. Their light or redox driven action and unidirectional proton pumping mechanism motivates the structural study of these membrane proteins. With the advancement in technology, neutron crystallography is used to locate hydrogen as it is not visible by X-ray crystallography. Since it requires larger crystals, no neutron structures of these membrane proteins have been determined yet. In order to maximize crystal size, we need large amount of protein to feed the crystals. Thus, we focused on optimizing the largescale production of membrane protein. In the initial stage, we used OmpF as a model system due to its high stability, yield and solubility in aqueous solutions to determine the neutron structure at a later stage. A comparative study for the production of OmpF was done considering various parameters such as temperature, media, optical density at wavelength of 600 nm and inducing conditions by Isopropyl -D-1-thiogalactopyranoside (IPTG). The most challenging part was to avoid the improper folding of protein and extraction of outer membranes to the maximum. Thus, after systematic trials with different conditions, we were able to optimize the protocol for large scale purification of OmpF. The next step will be the setup of crystallization trials for OmpF to reproduce published crystallization conditions and grow crystals large enough for neutron studies.

2 Synthesis, structural and kinetic characterization of Cu(II)-macrocycles functionalized silica aerogels

Zoltán Balogh1*, Attila Forgács1, István Lázár1, István Fábián1, József Kalmár1 1 Inorganic and Analytics Department, University of Debrecen, Hungary * rocknot96@gmail.com The use of aerogels as catalyst carriers has already been exploited since their large surface area makes them ideal candidates. Phenol is oxidized by hydrogen peroxide in the presence of Cu(II) macrocyclic complexes and then decomposes into simple carboxylic acids. These reactions have a practical role in reducing the phenol content of wastewaters. Our research group has synthesized silica aerogels functionalized with Cu(II)-cyclam and Cu(II)–cyclen, which resulted in 7 to 15-fold faster catalytic reactions than the homogeneous phase reactions. [1] We optimized the synthesis of functionalized silica aerogels from which valuable information was obtained on the properties of the gels. The structure of wet samples was studied by NMR relaxometry measurements to obtain information on the pore size distribution of the wet gels. Subsequently, the catalytic properties of the functionalized aerogels were compared with reference compounds. The detailed kinetics of the reaction was studied by on-line UV-VIS spectrometry, and the results were simulated with mathematical models. The aim is to understand the molecular level mechanism of the catalytic processes. Figure 1. Phenol oxidation in the presence of Cu(II)-cyclen silica aerogel catalyst (green dots) and the mathematical model of the kinetics (red curve). References [1] Helga Fruzsina Bereczki; Lajos Daróczi; István Fábián; István Lázár; Microporous and Mesoporous Materials, 2016, (234), 392-400

3 Technology and applications of new deuterium-deuterium (d-d) neutron generator Kaouther Bergaoui1,*, Nafaa Reguigui1 1 National Center of Nuclear Sciences and Technologies, Tunisia * bergaoui.kaouther@gmail.com Neutron generators are an excellent tool that can be effectively utilized in educational institutions for applications such as neutron activation analysis, neutron radiography, and profiling and irradiation effects. The Tunisian National Center of Nuclear Sciences and Technologies (NCNST) have acquired a state-of-the-art DD-110 neutron generator. Monoenergetic neutrons (2.5MeV) are produced with a maximum yield of 1010n/s using 25-50 mA of deuterium ion beam current and a 125 kV of acceleration voltage. In the first step we tried to describe the characteristic of the generator, verification and validation of the shielding adequacy by measuring the neutron and gamma dose-rates at various locations inside and outside of the neutron generator. These measurements are made during the operational conditions and comparing with theoretical simulations. In the second step we present the following applications of the neutron generator: (1) Prompt -ray neutron activation analysis of 10B concentrations in Si and SiO2 matrices was carried out using a germanium detector (HPGe); (2) The radiography facility used in the measurements and simulations employs a fully high-voltage-shielded, D-D neutron generator. Both fast and thermal neutron images were acquired with the generator and a Charge Coupled Devices Camera. To shorten the imaging time and decrease the noise from gamma radiation, various collimator designs were proposed and simulated using MCNP6; (3) Optimization of a D-D neutron generator based in Explosive Detection System (EDS) was performed using Monte-Carlo simulation; and (4) The plausibility of BNCT treatment of the cancer using neutrons from a DD-110 is assessed by calculating the distribution of photon equivalent dose on a breast phantom using Monte-Carlo simulation. Keywords: Neutron Generator deuterium-deuterium (DD), Monte Carlo method, Radiation, Neutron Flux, Neutron Activation Analysis, Born, neutron radiography, Explosive Detection, BNCT

4 Hybrid inorganic-organic borosilicate materials by sol-gel for bone tissue engineering Soraia Coelho1* 1 University of Aveiro, Portugal * soraia.coelho@ua.pt According to the literature, hybrids materials have been considered a plausible alternative as they present a mechanical behaviour similar to the one of the human bone. The synergistic combination of inorganic and organic compounds in one material to achieve improved properties is as old as mankind. Several studies that used the PDMS-SiO2-CaO system, show that the materials obtained were able to form calcium-phosphate, which is an indicator of bioactivity. The challenge will be adding boron or copper to the system. Boron and copper are known to be involved in the bone metabolism and to play a physiological role in angiogenesis, growth and mineralization of bone tissue. As far as the authors know, the preparation of hybrid materials with the incorporation of boron and copper is a novelty. The main purpose of this project is to produce a bioactive e biocompatible hybrid material, in the system PDMS-SiO2-B2O3-(CuO)CaO, with calcium, boron and copper release, that stimulates angiogenesis. But first, we need to develop a sol-gel procedure to produce these materials. The materials’ structure and microstructure will be analysed by Fourier Transform Infrared Spectrometry (FTIR), nitrogen adsorption and Scanning Electron Microscopy (SEM). Chemical analysis will be carried out by EDS and DRX. Bioactivity will be evaluated in vitro by immersion of the materials in Kokubos’s simulated body fluid (SBF) and subsequent analysis of the materials surface and supernatant soaking liquid by Inductively Coupled Plasma Spectroscopy (ICP). The cell biology studies will be done in vitro tests in cellular medium. The purpose is to investigate the possible cytotoxicity of the samples and to determine their effects on osteoblast and mesenchymal stem cell activity and differentiation ability.

5 Added alkane allows thermal thinning of supramolecular columns by forming superlattice Liliana Cseh1* 1 Institute of Chemistry Timisoara of Romanian Academy * lilianacseh@gmail.com Taper-shaped mesogens, notably dendrons, are some of the most fundamental and widespread building blocks in supramolecular chemistry. [1] They have been attached to moieties such as organic semiconductors, [2] fullerenes, [3] ionic conductors, [4]

etc. This way dendronized functional materials may be created that can be used in a variety of applications. [5,6] The most common supramolecular objects that such dendrons or dendronized compounds form are columns and spheres. The former, in turn, tend to arrange on a 2-d lattice, most often hexagonal, while the latter form 3-d lattices or even quasicrystals. [7,8] The most widely used dendrons producing 2-d and 3-d ordered liquid crystal (LC) or soft crystal structures consist of an aromatic core and flexible terminal chains. While dendrons of this type up to fifth generation have been synthesised and studied, [1] it turned out that most LC phases are observed already with the simplest tapered mesogens, the so-called minidendrons , containing just one benzene ring, a weekly interacting group at the apex (1-position) and three or two flexible chains attached to positions 3, 4 and/or 5. The group at the apex could be could be carboxylate salt [9,10] sulfonate salt, [11] an onium group [4] or other. Here it is presented on rather unusual behavior of the columnar phase of some taper-shaped minidendron alkali metal salts of 3,4,5-tris(dodecyloxy)benzoic acid. While the columns of most salts become thinner when heated, those of Li salt change little, infact expand slightly. Surprisingly, however, when free n-alkane is added, above a certain temperature the column diameter starts to decrease abruptly concomitant with the transition to a new superlattice phase. Using deuterated alkane and a combination of X-ray and neutron diffraction, it was arrived at a detailed structure and a rationale for the formation of this unusual superlattice. References [1] F. J. Sun, S. Zhang, V. Percec, Chem. Soc. Rev., 2015, 44, 3900. [2] V. Percec, M. Peterca, T. Tadjiev, X. Zeng, G. Ungar, P. Leowanawat, E. Aqad, M.R. Imam, B.M. Rosen, U. Akbey, R. Graf, S. Sekharan, D. Sebastiani, H.W. Spiess, P.A. Heiney, S.D. Hudson, J. Am. Chem. Soc. 2011, 133, 12197. [3] W.S. Li, Y. Yamamoto, T. Fukushima, A. Saeki, S.Seki, S. Tagawa, H. Masunaga, S. Sasaki, M. Takata, T. Aida, J. Am. Chem. Soc. 2008, 130, 8886. [4] B. Soberats, M. Yoshio, T. Ichikawa, X. Zeng, S. Taguchi, H. Ohno, F. Liu, G. Ungar, T. Kato, J. Am. Chem. Soc. 2015, 137, 13212. [5] X. Feng, M. E. Tousley, M.G. Cowan, B.R. Wiesenauer, S. Nejati, Y. Choo, R.D. Noble, M. Elimelech, D.L.O. Gin, C.O. Osuji, ACS Nano, 2014, 8, 11977. [6] X. Feng, S. Nejati, M.G. Cowan, M.E. Tousley, B.R. Wiesenauer, R.D. Noble, M. Elimelech, D.L.O. Gin, C.O. Osuji, ACS Nano, 2015, 10, 150. [7] G. Ungar, X. B. Zeng, Soft Matter, 2005, 1, 95. [8] G. Ungar, F. Liu, X.B. Zeng, Thermotropic Cubic Liquid Crystal Phases, Other 3D Phases

and Quasicrystals Chap. 7 in Handbook of Liquid Crystals, 2nd Ed., Vol. 5, ed. Goodby, J. W. et al., VCH_Wiley, Weinheim, 2014, 363-436. [9] G. Ungar, V. Percec, M. Holerca, G. Johansson, J. Heck, J. A. Chem. Eur. J., 2000, 6, 1258. [10] V. Percec, M. Holerca, S. Uchida, W. Cho, G. Ungar, Y.S. Lee, D.J.P. Yeardley, Chem. Eur. J. 2002, 8, 1106. [11] M.A. Shcherbina, A. Bakirov, A.N.Yakunin, U. Beginn, L. Yan, M. Möller, S.N. Chvalun, Soft Matter, 2014, 10, 1746.

6 Solid Electrolytes for Lithium - and Sodium-Ion All-Solid-State Batteries Theodosios Famprikis1,2,3*, Jean-Noël Chotard1,3, M. Saiful Islam2,3, Christian Masqueliera3 1 Laboratoire de Réactivité et de Chimie des Solides (UMR CNRS 7314), Université de Picardie Jules Verne, Amiens, France 2 Department of Chemistry, University of Bath, UK 3 ALISTORE European Research Institute, FR CNRS 3104, France * theo.famprikis@u-picardie.fr All-solid-state batteries (ASSB) are considered among the most promising post-Li-ion technologies for the electrification of transportation and massive stationary energy storage [1]. At the heart of the ASSB concept is the replacement of the currently used toxic, flammable and volatile liquid electrolytes with by a solid conductor, rendering the battery totally solid. The recent discovery of solid materials with ionic conductivities similar to- and even higher than liquid electrolytes has ignited substantial research efforts towards the realization of the ASSB technology [2,3]. A solid electrolyte needs to satisfy many more stringent performance requirements other than high ionic conductivity. Namely, the electrodeposition of lithium (or sodium) metal through solids has proven challenging. Furthermore, the extreme potentials at the interfaces with the electrodes promote decomposition reactions; often resulting in detrimental blocking of the ionic transport. Finally, by replacing the liquid ionic conductor, the battery becomes a solid composite. In order for effective ionic and electronic transport to occur, the role of the microstructure on ensuring and maintaining adequate solid-solid particle contacts cannot be overstated. Overall, a promising solid electrolyte material must possess a favourable combination of properties with respect to ionic conductivity, stability, mechanical properties and processability. To that end, we follow a synergistic approach of synthesis, characterisation and modelling to elucidate the fundamental effects of composition and structure on the above-mentioned properties. Features of bulk and local structures are investigated using diffraction, vibrational spectroscopy and nuclear magnetic resonance (NMR). Ionic conductivity is investigated over multiple scales using electrochemical impedance spectroscopy, NMR, and large-scale, force-field molecular dynamics simulations. (Electro-)chemical stability is investigated using electrochemical cycling, thermal- and structural analysis techniques. In particular, neutrons have a key role to play for the development of solid electrolytes, especially due to their increased sensitivity to light mobile elements such as Li. The accurate determination of the atomic structure of these (crystalline or amorphous) materials through diffraction methods is the first step to a deep mechanistic understanding of their properties. Furthermore, inelastic and quasi-elastic neutron scattering can provide unique insights to the dynamics of ionic motions inside these solid electrolyte materials and – why not – complete ASSBs. References [1] Janek, J. & Zeier, W. G. A solid future for battery development. Nat. Energy 1, (2016) [2] Kato, Y. et al. High-power all-solid-state batteries using sulfide superionic conductors. Nat. Energy 1, 16030 (2016) [3] Kamaya, N. et al. A lithium superionic conductor. Nat. Mater. 10, 682–686 (2011)

7 Electrical conductivity – frequency dependence of nano silicon particles exposed to neutron irradiation Aydan Garibli1,2* 1 Department of Nanotechnology and Radiation Material Science, National Nuclear Research Center, Baku, Azerbaijan 2 Department of Chemical Physics of Nanomaterials, Baku State University, Baku, Azerbaijan * garibliaydan@gmail.com, garibliaydan@mntm.az It is important to learn electrical properties, the nature of charge carriers, the concentration of charge carriers and so on for increasing radiation resistance of silicon nanomaterial or enhancing it as a semiconductor. Neutron irradiation effects on the silicon, silicon carbide and silica nanomaterials have been studied previously researches [1-4]. At the present work, silicon nanoparticles with 80m2/g of specific surface area, 100nm of particle size, 99% of purity and 0.08g/cm3 of density were taken as the research object [Manufacturer: SkySpring Nanomaterials, Inc. Houston, USA]. Nano silicon particles were irradiated with neutron flux (2x1013 n/cm2s) at full power (250kW) in the channel A1 of TRIGA Mark II light water pool type research reactor in the "Reactor Center" of Institute Jozef Stefan (IJS) in Ljubljana, Slovenia. Neutron flux has the following integral part when reactor is running in full power: flux density for thermal neutrons is 5.107x1012 n/cm2s (1±0.0008, En< 625eV), for epithermal neutrons it is 6.502x1012 n/cm2s (1±0.0008, En ~ 625eV ÷ 0.1MeV), for fast neutrons it is 7.585x1012 n/cm2s (1±0.0007, En> 0.1 MeV), and finally for all neutrons it is like 1.920x1013 n/cm2s (1±0.0005) in the channel A1. Irradiation with neutron and determination of characteristic parameters of the neutron flux were conducted with the known methods in the literature [1-4]. Nano

silicon powder squeezed into a pill with the height of 250 μm and diameter of 5mm at the press machine under 3kN/cm2 pressure at the "Thin Films and Surfaces F3" laboratory of IJS. Prepared samples are placed into the aluminium container fitting to the channels of the reactor. The samples were continuously irradiated in the channel A1 at 1, 5, 10 and 20 hour periods and the activity of samples increased to 3,1GBq as a result of neutron irradiation. Therefore, all measurements were carried out waiting about 400 hours (cooling time) after the neutron irradiation. After irradiation silver contacts fixed on the surface of the samples under specific conditions and their quality were checked by microscope (Ogussa, Leitsilber 200). Then measurements were carried out by placing the samples between two platinum slabs. The electrical conductivity of the samples was measured in the 100 K - 400 K temperature ranges at the alternating current (~0,5V) in "Novocontrol Alpha High Resolution Dielectric Analyzer" device. During the measurements the storage accuracy of temperature at any degree was 10-2K and this accuracy was obtained according to the bridge method [1-4]. The resistance of the samples was measured directly in the experiments and electrical conductivity was calculated taking into account known parameters of the samples. It has been reviewed the frequency dependencies of electrical conductivity of nanoparticles affected by neutron flux at different times and initial state, at various constant temperatures such as 100K, 200K, 300K and 400K. Measurements have been carried out at each temperature at the different 97 values of frequency in the 1 Hz – 1MHz range. From interdependence between real and imaginary parts of electrical conductivity it has been determined the type of conductivity. Moreover, in

8 the work it is given the mechanism of electrical conductivity according to the obtained results. In the result of comparative analysis of frequency dependencies of electrical conductivity of the samples affected by neutron flux with different periods and initial state, it has been established that, clusters are formed inside the samples under neutron flux influence at 100K temperature. As a result of the generated clusters it is observed a sharp chaotization at this temperature. At the 200K-300K temperatures the clusters are reduced under the influence of temperature and frequency and fully recombined at 400K. From comparative analysis of frequency dependencies at various temperatures it has been revealed that the value of electrical conductivity increases up to 20 times due to neutron flux influence. From interdependence of real and imaginary parts of electrical conductivity it has been find out those real parts of electrical conductivity has changed more than the imaginary parts after neutron irradiation. The conductivity to be atomic or dipolar ion type, has been found out from interdependence of real and imaginary parts of electrical conductivity. References [1] Elchin M. Huseynov "Neutron irradiation and frequency effects on the electrical conductivity of nanocrystalline silicon carbide (3C-SiC)" Physics Letters A 380/38, 3086-3091, 2016 [2] Elchin Huseynov, Adil Garibov et al. "Effects of neutron flux on the nano silica particles: ESR study" Modern Physics Letters B 30/8, 1650115, 2016 [3] Elchin Huseynov, Aydan Garibli "Effect of neutron flux on the frequency dependencies of

electrical conductivity of silicon nanoparticles" Revista Mexicana de Física 62/4, 299-303, 2016 [4] Aydan Garibli, Elchin Huseynov et al. "Additive analysis of nano silicon under the influence of neutron irradiation" International Journal of Modern Physics B 30/10, 1650040, 2016

9 The design of the multipurpose diffractometer ANDES at RA-10 Reactor

Andrés Rodolfo Glücksberg1*, Vicente Alvarez M.A1,2, J.R. Santisteban1,2 A. Beceyro1, S. Gómez1, Ignacio Márquez1,2, A. Coleff 1, S. Pincin1, L. Monteros1 1 CNEA, Comisión Nacional de Energía Atómica 2 CONICET, Consejo Nacional de Investigaciones Científicas y Técnicas * andres.glucks@cab.cnea.gov.ar ANDES (Advanced Non Destructive Evaluation of Strain) is a multi-purpose diffractometer for materials science and engineering applications that will be installed in the future Argentinean Neutron Beams Laboratory of the RA-10 research reactor. ANDES will be an instrument optimized to perform non-destructive measurements of residual stresses in objects, but it will also be capable of performing conventional powder diffraction and texture analysis on samples and small objects. These requirements represent a big challenge for the design of the ANDES, both for engineering and for science. In this work we describe how the requirements are met in the different operational modes, the mechanical and shielding design and the performance estimation.

10 Synthesis and study of Cadmium containing quantum dots immobilized in silica aerogel matrix

Enikő Győri1*, István Fábián1, István Lázár1 Department of Inorganic and Analytical Chemistry, University of Debrecen, Hungary * gyori.eniko@science.unideb.hu Semiconductive nanoparticles or quantum dots are widely used for various purposes such as solar cell applications, sensors, catalysts, biomedical applications and so on because of the unique properties originated from the small size. [1,2] Heterogeneous catalysis has many advantages compared to the homogeneous catalysis. Such advantages are, for example, the more controllable handling of the chemical process and the easy of separation of the catalyst from the reaction mixture. In addition, the catalytically active particles being immobilized in a solid carrier can tolerate higher temperatures or pressures or more extreme conditions, in general, than the free ones. The ideal catalyst carrier has high surface area and porosity in order to provide as many active sites as possible. Furthermore, the material has to be chemically inert and durable as well. The most widely used solid carriers are for instance zeolites or activated carbon. Silica-based aerogels may be good alternatives to the traditional carrier materials since they have great specific surface area and porosity along with extremely low density. Beyond that, silica aerogels are inert materials and they can be easily modified. Thus far, however, only a limited number of reports are available on reactions, which were catalysed by aerogel-based materials. [3] In our study, the aims were to synthesize cadmium sulphide and cadmium selenide quantum dots, prevent their aggregation, immobilize them in silica aerogels and to study their catalytic activity through simple model reactions. Acknowledgements The research is supported by GINOP-2.3.2-15-2016-00041 and GINOP-2.2.1-15-2017-00068 tenders. The project is co-financed by the European Union and the European Social Fund. References [1] N. S. M. Mustakim et al., Solar Energy 163 (2018) 256-270 [2] D. Pan et al., Applied Surface Science 427 (2018) 715-723 [3] J. E. Amonette et al., Microporous and mesoporous Materials 250 (2017) 100-119

11 High power liquid lithium target for SARAF accelerator based thermal neutron source Shlomi Halfon1* 1 Soreq Nuclear Research Center, Yavne, Israel * shlomi.halfon1@gmail.com The Soreq Applied Research Accelerator Facility (SARAF) is under construction in the Soreq Nuclear Research Center at Yavne, Israel. When completed at the beginning of the next decade, SARAF will be a user facility for basic and applied nuclear physics, based on a 40 MeV, 5 mA CW proton/deuteron superconducting linear accelerator. A high intensity accelerator based Thermal Neutron Source (TNS) is a major application of SARAF within its goal to enhance and back up the Soreq IRR-1 5 MW nuclear research reactor, mainly for neutron radiography and neutron diffraction research. The thermal neutron radiography system of IRR-1 has L/D of 250 with neutron flux on the imaging plane of 6*105 n/s/cm2. The TNS in SARAF will be designed to provide or upgrade these capabilities. SARAF TNS is based on a liquid lithium conversion target, generate a neutron yield of up to 2*1015 n/s, when irradiated with a 40 MeV, 5 mA deuterons beam (power of 0.2 MW.) These neutrons are with high energy, peaked around ~15 MeV and moderated to the thermal energy by heavy water that surround the conversion target, along with a beryllium multiplier that enhances the number of neutrons, and peripherals light water reflector. Extractions tubes towards the radiography systems are placed at wide angles with respect to the incident deuteron beam, to diminish the contribution of unwanted fast neutrons. The source will be used also for neutron diffractometer and neutron activation analysis, via a pneumatic transfer tube. The dimensions of the moderator, multiplier and the tubes placements were obtained by detailed Monte-Carlo simulations and a preliminary design of the apparatus was established. The simulation results indicate that the neutron flux and cadmium ratio at the imaging plane with L/D = 250 will be at least equal to IRR-1. Figure 1. Schematic horizontal cross section of the SARAF thermal neutron facility. The liquid lithium neutron converter is downstream of the particle beam tube exit. Neutrons are thermalized in the light and heavy water degraders, multiplied by the beryllium multiplier and then some of them exit towards the Radiography and Diffractometry systems. The pneumatic tube for transferring samples for irradiation is also depicted.

12 M olecular conformation and texture development during crystallization of flexible polymers in solution Mathias Huss-Hansen1*, Matti Knaapila1 1 Department of Physics, Technical University of Denmark, Denmark * Mathias.Huss-Hansen@fysik.dtu.dk In many industrial processes, semi-crystalline polymers, e.g. ultra-high molecular weight polyethylene (UHWMPE), are processed via solution (in presence of solvents). The interaction between polymer and solvent molecules profoundly influences thermodynamics, kinetics and structural aspects of the polymer solidification process. More insight is desired in how the interaction polymer-solvent defines the solidification behaviour of the material. We interested in using small angle neutron scattering to study the early stages of crystallization in UHMWPE. This could be done using a model system of well-defined UHMWPE doped with deuterated PE fractions prepared as a gel. By shearing the gel in a plate-plate configuration, the sample will exhibit radial position-dependent morphology. Then by using ex-situ neutron and X-ray scattering, we plan to investigate the local molecular configuration and the crystalline morphology and reverse engineer how the early stages of crystallization should have looked like to arrive to the observed morphology. The SANS experiment could for example be done at the Yellow Submarine Instrument at Budapest Neutron Centre. Depending on the sample preparation, we may join our partners for a beamtime at BNC from May 29-June 2.

13 Neutron reflectometry study of structure in PS/C 70 thin films Maksym L. Karpets1,2*, T.V.Tropin2, I.V.Gapon1,2, L.A.Bulavin1, M.V. Avdeev2 1 Physics Department, Taras Shevchenko National University of Kyiv, Ukraine; 2 Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna, Moscow Reg., Russia; * karpetsmax@gmail.com Thin polymer films have numerous technological applications in various industrial and biomedical sectors related to protective and functional coatings, non-fouling biosurfaces, biocompatibility of medical implants, separations, advanced membranes, microfluidics, sensors, devices, adhesion, lubrication and friction modification [1]. In many cases the films can be of complex composition with different types of polymers with complex architecture and other components such as nanoparticles. Polymers in thin films and nanocomposite structures can exhibit unusual physical properties due to the geometric constraints imposed by the presence of surfaces and interfaces. Polystyrene-fullerene film is suitable model system for investigation of this properties. Neutron re ectometry was performed as effective method for studying PS/C60 thin films, allowing evaluating the structural peculiarities of nanoparticles ordering in the polymer matrix [2]. We can also evaluate lm thickness very precisely in this method compared with other ones such as ellipsometry [3]. In the present work we performed neutron study of structure in polystyrene-fullerene

thin lms. PS/C70 and dPS/C70 solutions in toluene were spin-coated on Si (111) at 2000 rpm after ltering through 0.22 Milipore lter. Series of polystyrene-fullerene nanocomposite thin films with different concentration C70 were prepared and investigated for the internal structure and glass transition. We also completed neutron re ectivity measurements on deuterated polystyrene-fullerene thin lms supported on silicon substrate as a function of temperature. Neutron measurements of polymer thin films in the temperature range up to 130°C performed at GRAINS instrument of the IBR-2, JINR. For this purpose, we created special cell for samples. Changing of the glass transition temperature has been observed and possible internal structure of films has been analysed. References [1] E.Slaver. Polymer Thin Films, 304 (2016) [2] Yaklin, M. a., Duxbury, P. M., & Mackay, M. E. (2008). Control of nanoparticle dispersion in thin polymer films. Soft Matter, 4(12), 2441. [3] T. Kanaya, T. Miyazaki, H. Watanabe, K. Nishida, H. Yamano, S. Tasaki, D.B. Bucknall.

Annealing effects on thickness of polystyrene thin lms as studied by neutron re ectivity, Polymer, 44, 3769-3773 (2003)

14 M agnetic and optical properties of 111 -oriented spinel Fe-oxide films Jiwoong Kim1*, Dooyong Lee1, Sehwan Song1, Sungkyun Park1 1 Department of Physics, Pusan National University, Busan 46241, Korea * psk@pusan.ac.kr Fe-oxides are interesting material system owing to their various physical properties depending on multivalent Fe ions. Among them, Fe3O4 and -Fe2O3 exhibit relatively high magnetic moments at room temperature and have potential applications for spintronics and biomedical devices, respectively. Although they have identical structure (cubic spinel) and similar lattice parameters (8.350 Å for -Fe2O3 and 8.320 Å for Fe3O4), the electrical properties of those materials are clearly distinguishable, for example, theoretically Fe3O4 is half metal and -Fe2O3 is semiconductor with 2.1 eV of band gap. Therefore, manipulating those Fe-oxide phases might provide unusual physical properties. In this presentation, we examine the magnetic and optical properties of Fe-oxide films for various film thicknesses. Optimally controlled epitaxial Fe-oxide films were deposited at Al2O3(0001) substrate for 1, 2, 5, 10 and 15 min using RF-magnetron sputtering method. Careful structural, magnetic, optical and chemical analysis were employed to examine the correlation among physical properties. Interestingly, all the films showed (111) preferred orientation even though the transmittance in visible range of was decreased with increasing film thickness with improved electrical conduction. The detailed spectroscopy analysis may provide the origin of the electrical property variations.

15 Investigating the Crystal Structures of Solid Sulfide Electrolytes for All Solid State Batteries Omer Ulas Kudu1*, Theodosis Famprikis1, Benoit Fleutot1, Christian Masquelier1 1 Laboratoire de Réactivité et Chimie des Solides, Amiens, France * ulas.kudu@u-picardie.fr Li-ion batteries (LIBs) have been used extensively in portable electronics and electric vehicles owing to their great and high energy densities and energy conversion efficiencies [1]. However, conventionally used liquid electrolytes in LIBs raise safety concerns due to their flammability [2,3]. All solid state batteries (ASSBs), which contain solid electrolytes, promise enhancing the safety, in addition to offering possibilities to modify the cell geometry [3]. The interest in solid sulphide electrolytes (SSEs) has increased in recent years owing to their superior bulk ionic conductivities (10-2 – 10-3 S/cm at RT) [4] compared to the conductivity of the solid oxide electrolytes (

16 Structure of the carrier-drug systems based on fullerene M.O. Kuzmenko1,2*, O.A. Kyzyma1,2, O.I. Ivankov1,3, L.A.Bulavin2, M.P.Kulish2, O.P.Dmytrenko2 1 Joint Institute for Nuclear Research, Dubna, Russia 2 Taras Shevchenko National University of Kyiv, Ukraine 3 Institute for Safety Problems of Nuclear Power Plants, NAS Ukraine, Kyiv, Ukraine * kuzjamaryna@gmail.com Fullerenes due to pleiotropic activity are promising agent for different medical applications. They are used as a separate active component and as a carrier of medications in targeted delivery and/or prolonged therapy. The fullerenes water solutions, which were prepared by extraction from C60/NMP, characterized by unique small cluster sizes of fullerenes that lead to improved biocompatibility of fullerenes. Based on the aqueous dispersions of fullerene, it was designed a number of drug delivery system as fullerenes-polyphenols, fullerenes-alkaloids, polysaccharides-fullerenes. These systems were investigated by small-angle neutron scattering, dynamic light scattering, and UV-Vis spectroscopy. In addition, a computer model of carrier-drug interaction was proposed based on quantum chemical calculations.

17 Synthesis, properties and possibilities of use sulfobetaine type surfactants

Dobrawa Kwaśniewska1*, Daria Wieczorek1 1 Department of Technology and Instrumental Analysis, Faculty of Commodity Science, Poznan University of Economics and Business * dobrawa.kwasniewska@ue.poznan.pl Sulfobetaine type surfactants are electroneutral salts carrying both a positive and a negative charge in the same molecule. Their structure is similar to alkylbetaines, however instead of carboxylic group they contain sulfonate one. Sulfobetaines possess two ionic centers of different sign, cationic one is usually quaternary nitrogen while anionic sulfonate moiety. The differences in the structure such as the length and presence of hydroxyl group of the spacer separating the quaternary ammonium center from the sulfonate group divides them into several subgroups. Specific structure of sulfobetaines makes them interesting in several aspects. They are pH independent, therefore in neutral, alkaline and cationic solutions they exist in the form of internal salts. They exhibit good surface and wetting properties. The sulfobetaine type surfactants can be obtained in successive reactions. The tertiary amines in which one of the group bonded to the nitrogen atom is long alkyl chin reacts with sulfate salts or sultones. However the significant step of synthesis is nucleophilic substitution reaction in which tertiary amines are obtained. The general route of synthesis of sulfobetaines and gemini sulfobetaines is presented below. + R X

Amine-R

Diamine-R

Amine/Diamine + sultones/sulfate salts

sulfobetaine

gemini sulfobetain Literature data indicate that sulfobetaines exhibit good surface properties, better than betaines. They are mild to the skin and eyes. They are good soluble in water and are hard water resistance. Their toxicity is low. However they are also interesting compounds due to their other not commonly known properties. First they present almost no foaming properties. However their addition to the personal care product formulation causes no changes in foam formation and stability. Sulfobetaines can act as viscosity modifier especially while the presence of properly selected concentration of sodium laureth sulfate. Moreover sulfobetaines can act as antimicrobial and antifungal agents. Their activity is notwithstanding differentiated. They show antibacterial activity against Gram-positive and Gram-negative bacteria with higher activity against Gram-positive bacteria. Sulfobetaines also demonstrated activity against many stains of fungi such as Alternaria, Fusarium or Candida. These surfactants used as adjuvants can increase the fungistatic activity of strobilurins and benzimidazoles fungicides. Due to the wide variety of properties sulfobetaines can find application in many products and industrial branches.

18 Graphene Reinforced Cements Mustafa Z. Mahmou1 Kun V. Tian2 and Gregory A. Chass1,3* 1 School of Biological and Chemical Science, Queen Mary University of London, UK 2 Department of Chemical Science and Technologies and centro NAST, Università degli Studi di Roma TorVergata, Roma, Italy 3 Department of Chemistry, University of Hong Kong, Hong Kong SAR, China * g.chass@qmul.ac.uk Structure reinforcement of cementitious material at the mesoscopic level has been trialled with additives of various composition and sizes; one of the most promising being nano-flakes of graphene and graphene oxide. [1] These aid in the inhibition of crack formation and fracture propagation, effectively raising the compressive and flexural strength of the reinforced systems, relative to those of conventional cements. [2,3] The atomic-level bases of these improvements remain poorly understood. We therefore initiated synergistic experimental-computational investigations using a molecular cluster approach to model small and large composite models. Results showed the identity of the constitutional isomer of the graphene/graphene-oxide nano-flakes as the dominating modulator of stability in the nano-composites engineered, and indirectly their bulk mechanical properties. Notably, the interfacial arrangements of the nano-flakes relative to Ca-silicate clusters played a near-negligible role. This opens the door to rational control of composite stability, and eventually mechanical properties, through the isomeric design of nano-flake additives to the cements. These trends are presently driving the rational design of empirical determinations employing coherent-THz and neutron scattering/diffraction to quantitatively resolve the phenomena in real cement systems. Keywords: Cement; C2S; C3S; molecular cluster; graphene nanoflake; cement reinforcement References [1] K. Sobolev and M.F. Gutierrez, Am. Ceram. Soc. Bull, 2005, 84, 16-19. [2] B. Wng, R. Jiang and Z. Wu, Nanomaterials, 2016, 6, 200. [3] K. Gong, Z. Pan, A.H. Korayem, L. Qiu, D. Li, F. Collins, C.H. Wang and W.H. Duan, J. Mater. Civ. Eng., 2015, 27, A4014010.

19 Fast-N eutron Detector on Wheels Nicholai Mauritzson1* 1 Division of Nuclear Physics, Physics Department, Lund University * gheed@live.se At a pulsed spallation neutron source, an important component of the background on a neutron scattering instrument may originate from high-energy particles produced during the spallation process when the highly energetic proton beam strikes the target. These high-energy particles can lead to the creation of secondaries through interactions in the shielding material around, for example, the target and beam lines, which can give rise to unwanted signals in the detectors of an instrument. Therefore, diagnostic tools for the study of such backgrounds are valuable and considered of great interest. The goal of this project to construct a scintillator-based detector capable of measuring prompt-pulse correlated fast-neutron events. The detector design employs two identical interchangeable arrays of four plastic-scintillator bars, each measuring 100 x 20 x 10 cm3 and instrumented on each end with a 3" photomultiplier tube. Design goals include portability, durability, fast response, uniform acceptance, and rudimentary particle-identification and tracking capabilities.

20 Synthesis and characterization of bismuth sodium titanate based piezoelectric ceramics Andrea Nesterovic1*, V. V. Srdic1 1 Faculty of Technology, University of Novi Sad, Serbia * nesterovic.andrea@gmail.com Piezoelectric materials have been in commercial use for a long time. They are key components in devices such as sensors, actuators, transducers, motors etc. Due to ability to convert vibrational to electrical energy (and reverse), they are important in development of renewable energy. The most used are lead-based materials, such as PZT, due to excellent piezoelectric and dielectric properties. However, toxicity of lead and high volatility of lead oxide, especially during sintering process, are very harmful to environment and human health. In last decade there is an enormous effort to replace PZT with lead-free materials. Bismuth sodium titanate is recognized as a good candidate for this purpose. It has perovskite structure and good piezoelectric properties, large remnant polarization and high Curie temperature. Pure bismuth sodium titanate (Bi0.5Na0.5TiO3) and bismuth sodium titanate powder with addition of BaTiO3 were prepared using sol-gel method. BaTiO3 was added to improve dielectric and piezoelectric properties of material. Sodium, bismuth and barium salts were used as precursors. They were dissolved, mixed with tetrabutyl

orthotitanate and stirred at 70 °C for a different period of time. Obtained gel was dried at 200 °C and then calcinated up to 700 °C. Calcinated powders were pressed into pellets and sintered up to 1100 °C to obtain high density. Structural properties were examined by XRD, Raman spectroscopy and scanning electron microscopy. Dielectric properties were measured using LCR device. The goal of this work is to obtain material with desired phase composition and properties, and to investigate influence of processing parameters of material.

21 Host-guest interactions in Captisol®/Coumestrol inclusion complexes Valentina Venuti1, Rosanna Stancanelli2, Vincenza Crupi1, Giuseppe Paladini1*, Silvana Tommasini2, Cinzia Anna Ventura2, Domenico Majolino1 1 Dipartimento di Scienze Matematiche e Informatiche, Scienze Fisiche e Scienze della Terra (MIFT), Universita` degli Studi di Messina, Italy 2 Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche e Ambientali, Universita` degli Studi di Messina, Italy * gpaladini@unime.it

The ability of Captisol® (sulphobutylether- -cyclodextrin, SBE- -CD), to form inclusion complexes, both in solution and in the solid state, has been tested in order to improve some unfavorable chemical- physical characteristics of a bio avonoid, Coumestrol (Coum). Coumestrol (7,12-dihydorxcoumestane) is a phytoestrogen belonging to the group of coumestans, well known for its anti-oxidant, anti-in ammatory, anti-fungal and anti-viral activity, that naturally occurs in soybeans, spinach, clover and alfalfa [1]. It exhibits estrogenic activity, since it can bind the oestrogen receptors ER and ER present in the epidermis, blood vessels, and dermis with an af nity comparable to 17 -estradiol [2]. Moreover, it is able to induce ER-dependent gene expression in isolated cells [3,4]. It is also a weak antagonist of pregnane X receptor as well as a potential inverse agonist of the constitutive androstane receptor [5]. Recently, neuroprotective effects of Coum before and after global cerebral ischemia in female rats have been demonstrated [6]. In pure water, a phase- solubility study was carried out to evaluate the enhancement of the solubility of Coum and, therefore, the occurred complexation with the macrocycle. The stoichiometry and the stability constant of the SBE- -CD/Coum complex were calculated with the phase solubility method and through the Job's plot. After that, the solid SBE- -CD/Coum complex was prepared utilizing a kneading method. The spectral changes induced by complexation on characteristic vibrational band of Coum were complementary investigated by Fourier Transform InfraRed spectroscopy in Attenuated Total Re ectance geometry (FTIR-ATR) and Raman spectroscopy, highlighting the guest chemical groups involved in the host-guest interactions responsible of the formation and stabilization of the complex. Particular attention was paid to the C=O and O-H stretching vibrations, whose temperature-evolution respectively furnished the enthalpy changes associated to the binding of host and guest in solid phase and to the reorganization of the hydrogen bond scheme upon complexation [7,8]. References [1] Crupi, V., Majolino, D., Mele, A., Rossi, B., Trotta, F., & Venuti, V.: Modelling the interplay between covalent and physical interactions in cyclodextrin-based hydrogel: effect of water confinement. Soft Matter, 9(28), (2013). 6457-6464. [2] P.L. Whitten, H.B. Patisaul, L.J. Young, Neurobehavioral actions of coumestrol and related

iso avonoids in rodents, Neurotoxicol. Teratol. 24 (2002) 47-54. [3] H.Y. Chen, K.D. Dykstra, E.T. Birzin, K. Frisch, W. Chan, Y.T. Yang, R.T. Mosley, F. DiNinno, S.P. Rohrer, J.M. Schaeffer, M.L. Hammond, Estrogen receptor ligands. Part 1: the discovery of flavonoids with subtype selectivity, Bioorg. Med. Chem. Lett. 14 (2004) 1417-1421.

22 [4] A.C. Hopert, A. Beyer, K. Frank, E. Strunck, W. Wünsche, G. Vollmer, Characterization of estrogenicity of phytoestrogens in an endometrial-derived experimental model, Environ. Health Perspect. 106 (1998) 581-586. [5] H. Wang, H. Li, L.B. Moore, M.D. Johnson, J.M. Maglich, B. Goodwin, O.R. Ittoop, B. Wisely, K. Creech, D.J. Parks, J.L. Collins, T.M. Willson, G.V. Kalpana, M Venkatesh, W. Xie, S.Y. Cho, J. Roboz, M. Redinbo, J.T. Moore, S. Mani, The phytoestrogen coumestrol is a naturally occurring antagonist of the human pregnane X receptor, Mol. Endocrinol. 22 (2008) 838-857. [6] C. Canal Castro, A.S. Pagnussat, L. Orlandi, P. Worm, N. Moura, A.M. Etgen, C.A. Netto, Coumestrol has neuroprotective effects before and after global cerebral ischemia in female rats, Brain Res. 1474 (2012) 82-90. [7] Venuti, V., Cannavà, C., Cristiano, M. C., Fresta, M., Majolino, D., Paolino, D & Ventura, C. A. A characterization study of resveratrol/sulfobutyl ether- -cyclodextrin inclusion complex and in vitro anticancer activity. Colloids and Surfaces B: Biointerfaces, 115 (2014), 22-28. [8] Cannavà, C., Crupi, V., Ficarra, P., Guardo, M., Majolino, D., Stancanelli, R., & Venuti, V.

Physicochemical characterization of coumestrol/ -cyclodextrins inclusion complexes by UV–vis and FTIR-ATR spectroscopies. Vibrational Spectroscopy, 48(2) (2008), 172-178.

23 Pore structure characterization of silica-based aerogels by NM R spectroscopy and N2 gas porosimetry Vanda Papp1*, József Kalmár2, Péter Veres2, Atilla Forgács2,

Mónika Kéri1 1 University of Debrecen, Department of Physical Chemistry, Hungary 2 University of Debrecen, Department of Inorganic and Analytical Chemistry * vandus.papp@gmail.com Nowadays, modern drug delivery systems play a significant role in the applications of colloid chemistry. They have to supply such special tasks as controlled drug release and targeted delivery. Silica aerogels may also be such drug delivery systems, because aerogels can be easily impregnated by small molecular drugs in supercritical CO2.1 Drug release can be influenced by the surface functionality and the pore structure of aerogel carrier. [1] In this work we studied the hydration induced structural changes in an unmodified and a 3% gelatine-modified silica aerogel by NMR relaxometry, cryoporometry and N2 adsorption- desorption porosimetry. [1,2] This is important, because the kinetics of drug release depends on the amount of incorporated gelatine, as the gelatine content deforms the porous structure in aqueous medium. N2 gas porosimetry measurements were performed to serve as the basis for the comparison of the hydrated and the original solid structures. By this method, we found that gelatine reduced the pore volume and the specific surface area from 905m2/g to 743 m2/g. The structure of the dry and the wet aerogel samples were different. This could be rationalized by taking into account the effect of hydration and that of the capillary forces in water. NMR measurements were carried out in liquid medium (water and cyclohexane), and the results showed that gelatine influenced the pore size and the saturation mechanism of the aerogels. Instead of the well-defined wetting process, we found a continuous, hydrogel- like saturation on the basis of transverse (T2) relaxation data. Gelatine increased the size of the pores (from r=5nm to r=25nm), widened the pore size distribution, but did not change the permeability of the pores significantly. Acknowledgement The authors thank the Hungarian Science Foundation (OTKA: FK_17-124571) for financial support. The project was supported by the ÚNKP-17-4 (J. Kalmár) and ÚNKP-17-1 (V. Papp) NEW NATIONAL EXCELLENCE PROGRAM of the Ministry of Human Capacities. References [1] P. Veres, M. Kéri, I. Bányai, I. Lázár, I. Fábián, C. Domingo, J. Kalmár, Mechanism of drug release from silica-gelatin aerogel – Relationship between matrix structure and release kinetics. Colloids and Surfaces B: Biointerfaces 2017, 152, 229-237. [2] J. Kalmár, M. Kéri, Zs. Erdei, I. Bányai, I. Lázár, G. Lente, I. Fábián: The pore network and the adsorption characteristics of mesoporous silica aerogel: adsorption kinetics on a timescale of seconds, RSC Adv., 2015, 5, 107237

24 Advances in the beam design and development of the RA-3’s PGNAA facility for BNCT Lucila Rogulich1,2* 1 National Atomic Energy Commission (CNEA). 2 San Martin National University (UNSAM) * rogulich@cae.cnea.gov.ar A prompt gamma Neutron Activation Analysis (PGNAA) facility is being developed in the production and research reactor RA-3 at the Ezeiza Atomic Center of Argentina. It is expected to be used for the detection of various elements. This facility uses irradiation channel 4, and its main axis extends diagonally from the core. The detection system has a hyper pure germanium detector (HPGe) and its associated measuring chain. Nowadays, the tasks focus on minimizing the gamma background in the detector environment. In this poster the results of the neutron flux and gamma field measurements in the sample position, and the first gamma spectra acquired of a pure boron sample will be presented.

25 Cooling partial pressure dependent phase transition characteristics of FeRh/M gO(100) films Sehwan Song1, Jiwoong Kim1, Dooyong Lee1, Sungkyun Park1* 1 Department of Physics, Pusan National University, Korea * psk@pusan.ac.kr FeRh shows meta-magnetic first-order phase transition above 350 K accompanied with isotropic lattice expansion and variation of the magnetoresistance. These are great interests for future applications such as, heat assisted magnetic random access memories (HAMRAM), magnetic cooling and spintronic devices [1, 2]. In particular, film form of FeRh showed modified magnetic properties owing to the presence of interface (bottom and/or top). For example, the formation of ferromagnetic (FM) domain nucleation at the interface owing to the interfacial strain and chemical diffusion of Fe or Rh can easily modify the antiferromagnetic (AFM) characteristics below transition temperature of the films [3, 4]. Therefore, it is important to understand the role of interface of films and gain the physical insights. In this study, we investigated the structural, chemical and magnetic properties FeRh/MgO(100) films by varying cooling pressure (vacuum, 1, 10, 100, 500 mTorr) during growth. Interestingly, the phase transition temperature increased and magnetization at AFM region decreased as the cooling partial pressure increased. In addition, the crystallinity and chemical ordering improved with increased cooling pressure. The detailed structural and chemical analysis were performed to obtain possible correlation between local structural ordering and physical property variations. This research is supported in part by NRF Korea (NRF-2015R1D1A1A01058672 and NRF-2017K1A3A7A09016305). References [1] S. Yuasa et al., J. Appl. Phys. 83, 6813 (1998). [2] Y. Liu et al., Nat. Commun. 7, 11614 (2016). [3] C. Gatel et al., Nat. Commun. 8, 15703 (2017). [4] R. Fan et al., Phys. Rev. B 82, 184418 (2010).

26 Self-assembling in water with transition metal complexes Maria Angela Spirache1*, Carmen Cretu1, Elisabeta I. Szerb1, Otilia Costisor1 1 Institute of Chemistry Timisoara of Romanian Academy, Timisoara, Romania * angelaspirache@gmail.com Chromonic systems are considered a subclass of lyotropic liquid crystal (LLC) phases although they have different molecular features and self-assembling mechanisms. Chromonic mesophases occur as the result of the face-to-face aggregation of the molecules into columns, being formed by planar aromatic compunds, surrounded by solubilising hydrophilic and/or ionic groups. This stacking occurs even in dilute solution and produces columns of increasing length as the solution is concentrated. The interest in this class of materials derives from their potential for practical applications in several domains like biosensing and imaging, thin film polarizers, micro-patterning, nano-fabrication, etc. [1] The self-assembling mechanism is not elucidated yet, although it is considered due to intermolecular weak interactions, like van der Waals forces, electrostatic attractions, π- π stacking. [2] However, lately chromonic-like mesophases where evidenced also for compounds which have non-planar molecular structures, coordination complexes based on tetrahedral Ag(I) [3] or octahedral Ir(III) metal centres [4]. Herein will be presented the synthesis and characterization of some transition metal complexes able to self-assemble into functional supramolecular structures in water. By suitable molecular engineering, luminescent ordered systems of chromonic type based on Platinum(II) metal centres and supramolecular aggregates of Rh(II) complexes in water were obtained. The complexes were characterized structurally by elemental analysis, IR and 1H NMR spectroscopies. The ability to self-assemble in water was evidenced by polarized optical microscopy. References [1] J. E. Lydon, J. Mater. Chem. 2010, 20, 10071-10099 [2] a) W. Lu, Y. Chen, V. A. L. Roy, S. S.-Y. Chui and C.-M. Che, Angew. Chem. Int. Ed., 2009, 48, 7621; b) X.-S. Xiao, W. Lu and C.-M. Che, Chem. Sci. 2014, 5, 2482. [3] D. Pucci, B. Sanz Mendiguchia, C. M. Tone, E. I. Szerb, F. Ciuchi, M. Gao, M. Ghedini and A. Crispini, J. Mater. Chem. C 2014, 2, 8780. [4] Y. J. Yadav, B. Heinrich, G. De Luca, A. M. Talarico, T. F. Mastropietro, M. Ghedini, B. Donnio and E. I. Szerb, Adv. Opt. Mater., 2013, 11, 844.

27 The extended Q0 used for non-1/v nuclides in k0-NAA Tran Quang Thien1* 1 Department of Nuclear Techniques, Budapest University of Science and Technology, Hungary * tranquangthien@outlook.com The ratio between the resonance integral and thermal cross section, Q0 have been modified for non-1/v nuclides in k0-method in neutron activation analysis by combination Hogdahl convention and Westcott formalism. The comparison of the elements concentration accuracy from difference conventions has been done. This modified has been shown that our work give a new simple way and high accuracy for calculation in k0-NAA. Keywords: k0-NAA, non-1/v nuclides, Hogdahl convention, Westcott formalism

28 Synthesis and characterization of barium titanate based thin films Jelena Vukmirovic1*, Vladimir V. Srdic1 1 Faculty of Technology Novi Sad, University of Novi Sad, Serbia * jelenavukmirovic1@gmail.com In era of miniaturization thin films were recognized as good candidates for fabrication of electrical devices such as capacitors, memories, sensors, etc. Barium titanate ferroelectric/tetragonal thin films play significant role in electrical industry development due to high values of dielectric constant and low dielectric losess. However, in recent years paraelectric/cubic phase of barium titanate with application in microwave tunable devices becomes interesting for research. Control of phase composition (tetragonal/cubic) in barium titanate can be achieved by addition of dopants as strontium, zirconium, magnesium, etc. One of the aims in this work was to investigate influence of strontium and zirconium addition to structural and functional properties of barium titanate thin films in order to apply material in tunable microwave devices. Barium titanate based solutions were prepared by sol gel method and deposited at silicon and platinized substrates

by spin coating. Obtained films were sintered up to 1000 °C, and finally nanocrystaline thin films (up to 300 nm) with well-defined composition of Ba1-xSrxTiO3 and BaZrxTi1-xO3 (x=0.1, 0.2, 0.3, 0.4) were prepared. Structural characterization of thin films often demands combination of different methods to investigate phase composition. Changes in structure caused by addition of strontium and zirconium were confirmed by XRD, Raman spectroscopy and indirectly by functional characterization/dielectric measurement.

29 Antimicrobial activity of sulfobetaine type surfactants Daria Wieczorek1*, Dobrawa Kwaśniewska1 1 Department of Technology and Instrumental Analysis, Faculty of Commodity Science, Poznan University of Economics and Business, Poland * daria.wieczorek@ue.poznan.pl Sulfobetaine surfactants are electroneutral salts possessing, in the same molecule, two ionic centres of different sign. Sulfobetaines are compounds structurally similar to alkylbetaines. However they contain a sulfonate group instead of carboxylic one. Compounds belonging to this group can be divided into several subgroups differing from each other with the length and presence of hydroxyl group of the spacer separating the quaternary ammonium center from the sulfonate group. They have no net charge. They are pH-Insensitive thus in neutral, alkaline and cationic solutions they exist in the form of internal salts. Together with the pH–dependent alkylbetaines, they are classified to zwiterionic surfactants. Sulfobetaines, whose hydrophilic polar headgroup carry both a positive and a negative charge in the molecule are interesting in several aspects. They exhibit good surface properties, good solubility in water and detergency. As reported in the literature they can be mild to eyes and skin. Moreover they are not toxic and can produce high and stabile foam. Additionally sulfobetaines are hard water and degradation by oxidizing and reducing agents resistance compounds while comparing to many ionic surfactants. Sulfobetaines are insensitive to pH change. The effect of temperature changes and addition of electrolyte on sulfobetaines has been found to be minimal. They are also interesting compounds due to their biocidal activity. Sulfobetaines can also exhibit antibacterial activity. Experimental data shows that this activity is differentiated. To the most active compounds from the group of N-alkyl-N,N-dimethyl-3-ammonio-1-propanesulfonates and N-alkyl-N,N-dimethyl-4-ammonio-1-butanesulfonates are these with alkyl chain consisting of 14 and 16 carbon atoms in the molecule. Minimal Inhibition Concentration research indicates that antibacterial activity of sulfobetaines belonging to different homologues series is high but varied. Sulfobetaine type surfactants can act also as antifungal agent. They demonstrate activity against Candida Albicans also against drug-resistant strains of the fungi. They also show fungistatic activity against fungi from Fusarium strain. The experiments shows that sulfobetaines can increase the fungistatic activity of strobilurins and benzimidazoles fungicides. Sulfobetaines present antimicrobial activity. It depends not only on the length of hydrophobic alkyl chain but also form the structure of hydrophilic head. It also is varied for microorganism tested.

30 List of authors Name Affiliation Page Swati Aggarwal European Spallation Source, Sweden 1

Zoltán Balogh University of Debrecen, Hungary 2 Kaouther Bergaoui National Center for Nuclear Sciences and Technologies, Tunisia 3 Soraia Coelho University of Aveiro, Portugal 4 Liliana Cseh Institute of Chemistry Timisoara of Romanian Academy 5 Theodosios Famprikis LRCS-CNRS, University of Picardie, Amiens, France/ University of Bath, UK / ALISTORE European Research Institute, France 6 Aydan Garibli National Nuclear Research Center / Baku State University, Azerbaijan 7 Andrés Rodolfo Glücksberg Comisión Nacional de Energía

Atómica (CNEA-Argentina) 9 Enikő Győri University of Debrecen, Hungary 10 Shlomi Halfon Soreq Nuclear Research Center, Israel 11 Mathias Huss-Hansen Technical University of Denmark 12 Maksym L. Karpets Taras Shevchenko National University of Kyiv, Ukraine / Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Russia 13 Jiwoong Kim Pusan National University, Korea 14 Omer Ulas Kudu Laboratoire de Réactivité et Chimie des Solides 15 Maryna Kuzmenko Taras Shevchenko National University of Kyiv, Ukraine / Joint Institute for Nuclear Research, Russia 16 Dobrawa Kwaśniewska Poznan University of Economics and Business, Poland 17

31 Mustafa Z. Mahmou Queen Mary University of London, UK 18 Nicholai Mauritzson Lund University, Sweden 29 Andrea Nesterovic University of Novi Sad, Serbia 20 Giuseppe Paladini University of Messina, Italy 21 Vanda Papp University of Debrecen, Hungary 23 Lucila Rogulich National Atomic Energy Commission (CNEA) / San Martin National University (UNSAM) 24 Sehwan Song Pusan National University, Korea 25 Maria Angela Spirache Institute of Chemistry Timisoara of Romanian Academy, Romania 26 Tran Quang Thien Budapest University of Science and Technology, Hungary 27 Jelena Vukmirović University of Novi Sad, Serbia 28 Daria Wieczorek Poznan University of Economics and Business, Poland 29