Nuclear Magnetic Resonance in Chemistry, Physics and Biological Sciences POSTERS:

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1 VII th Symposium on: Nuclear Magnetic Resonance in Chemistry, Physics and Biological Sciences September 26 th 28 th, 2012, Warsaw, Poland POSTERS: No. P-1 P-2 P-3 P-4 P-5 Authors and Title ElŜbieta Bednarek, Wojciech Bocian, Jerzy Sitkowski, Beata Naumczuk, Lech Kozerski CHEMISTRY AND DNA-COMPLEXES OF TOPOISOMERASE I INHIBITORS Krystyna Kamieńska-Trela, Zenobia Biedrzycka, Teodozja Lipińska, Jacek Wójcik A COMPARISON OF EXPERIMENTAL AND THEORETICAL J(CC) COUPLINGS IN A SERIES OF VARIOUSLY SUBSTITUTED 2-(PYRIDINE-2-YL) INDOLES A. Birczyński, Z.T. Lalowicz, G. Stoch, K. Góra-Marek, J. Datka DIVERSE MOBILITY OF D 2 O MOLECULES ON FAUJASITE CAGES: DEUTERON NMR INVESTIGATION Wojciech Bocian, ElŜbieta Bednarek, Jerzy Sitkowski, Lech Kozerski, Piotr Borowicz, Dariusz Kurzynoga, Diana Mikiewicz-Syguła, BoŜena Tejchman-Małecka, Monika Pawłowska HUMAN INSULIN AND ITS ANALOGUES, AGGREGATION AND DYNAMICS STUDIES BY NMR Małgorzata Cabaj, Karol Jackowski MEASUREMENTS OF 13 C MAGNETIC SHIELDING IN BENZENE DERIVATIVES WITH THE APPLICATION OF INTERNAL REFERENCING

2 P-6 P-7 P-8 P-9 P-10 P-11 P-12 P-13 Magdalena Ceborska, Mariusz Pietrzak, Magdalena Zimnicka, Anna Troć, Małgorzata Koźbiał, Stefania Pawłowska, Janusz Lipkowski INVESTIGATION OF FOLIC ACID COMPLEXES WITH NATIVE AND MODIFIED CYCLODEXTRINS Stanisław Deja, Piotr Młynarz, Adam Ząbek, Adam Litarski, Tomasz Szydełko, Joanna Adamiec, Marta Misiuk-Hojło, Magdalena Orczyk-Pawiłowicz ANALYSIS OF HUMAN BLADDER CANCER PATIENTS METABOLOME USING 1 H NMR Rasmus Faber, Stephan P.A. Sauer F-F SPIN-SPIN COUPLING CONSTANT IN FCCF: THE DISCREPANCY BETWEEN THEORY AND EXPERIMENT Dawid Gąszowski, Marek Ilczyszyn THEORETICAL AND EXPERIMENTAL STUDY OF XENON INTERACTIONS WITH ACIDIC MOLECULES Jarosław Jaźwiński, Rafał Głaszczka, Piotr Cmoch ADDUCTS OF RHODIUM(II) DIMERIC SALTS WITH ORGANIC LIGANDS: 1 H, 13 C, 15 N NMR AND DFT STUDIES Mateusz Godlewski, Karol Jackowski 1 H AND 13 C MAGNETIC SHIELDING IN LIQUID ALCOHOLS Adam Gryff-Keller, Anna Kraska-Dziadecka, Sergey Molchanov, Artur Wodyński EXPERIMENTAL DEMONSTRATION OF NMR RELAXATION OWING TO ANISOTROPY OF THE INDIRECT SPIN-SPIN COUPLING Agnieszka Kaflak, Wacław Kołodziejski SOLID-STATE NMR AND IR STUDIES ON NANOCRYSTALLINE CARBONATED HYDROXYAPATITES

3 P-14 P-15 P-16 P-17 P-18 P-19 P-20 P-21 P-22 Krystyna Kamieńska-Trela, Andrzej Dąbrowski, Zenobia Biedrzycka, Michał Witanowski, Jacek Wójcik EXPERIMENTAL AND THEORETICAL STUDY ON n J(CC) (n = 1-3) COUPLINGS IN AROMATIC AND HETEROAROMATIC SYSTEMS. UNUSUALLY SMALL J(CC) COUPLINGS IN Li, Mg AND Cd DERIVATIVES. Izabela Tosik, Arkadiusz Kłys 183 W CHEMICAL SHIFTS IN SERIES OF 1,1 -DIPHOSPHAFERROCENES COMPLEXES Lech Kozerski, ElŜbieta Bednarek, Wojciech Bocian, Jerzy Sitkowski, Piotr Borowicz, Sylwia BłaŜej-Sosnowska, Monika Bogiel, Weronika Surmacz-Chwedoruk NOVEL RECOMBINANT INSULIN ANALOGUES, NMR STRUCTURE IN WATER/ACETONITRILE SOLUTION AND AGGREGATION PROPERTIES IN WATER Hanna Krawczyk, Katarzyna Janowska NMR AND COMPUTATIONAL ANALYSIS OF THE NEW PHENYL DERIVATIVES OF PURINE M. Labartkava, R. Kublashvili, N. Barbakadze, D. Ugrechlidze NMR STUDY OF MAILARDS REACTION Tomasz Laskowski, Paweł Sowiński, Jan Mazerski NMR STUDIES ON THE SELF-ASSOCIATION OF IMIDAZOACRIDONE DERIVATIVES C-1305 AND C-1311 IN WATER SOLUTIONS Włodzimierz Makulski NMR ABSOLUTE SHIELDING SCALE AND MAGNETIC DIPOLE MOMENT OF 83 Kr NUCLEUS Magdalena Małgowska, Anna Teubert, Zofia Gdaniec STRUCTURAL STUDIES OF RNA QUADRUPLEX COMPOSED OF TWO UGG REPEATS Sylwia Mazur, Karol Jackowski MAGNETIC SHIELDING IN LIQUID KETONES STUDIED BY 1 H AND 13 C NMR

4 P-23 P-24 P-25 P-26 P-27 P-28 P-29 P-30 P-31 Ryszard B. Nazarski MULTI-STANDARD versus TMS-STANDARD COMPUTED NMR CHEMICAL SHIFTS FOR SELECTED METHYL SUBSTITUTED NITROGEN HETEROAROMATICS Katarzyna Łebek, Marzena Nieradka, Teobald Kupka THEORETICAL AND EXPERIMENTAL NMR STUDIES ON 2-AZETIDINONE Martin Novák, Matúš Durec, Jan Novotný, Martin Babinský, Zdenĕk Kříž, Radovan Fiala, Radek Marek BINDING OF PROTOBERBERINE ALKALOIDS TO DNA Agata Papierz, Monika Sobótka, Mariusz Pietrzak INCLUSION COMPLEXES OF NATIVE CYCLODEXTRINS WITH IONIC LIQUIDS M. Pietrzak, J. Dobkowski, A. Gorski, P.E. Hansen, F. Duus, J. Waluk PHOTOCHROMISM INVESTIGATED BY THE NMR SPECTROSCOPY THE CASE OF β-thioxoketones Edyta Pindelska, Agnieszka Sokal, Wacław Kołodziejski NMR CRYSTALLOGRAPHY OF THEOPHYLLINE COCRYSTALS Svetlana Pylaeva, Peter Tolstoy, Benjamin Koeppe, Christoph Allolio, Daniel Sebastiani, Gleb Denisov DISTRIBUTION OF HYDROGEN BOND GEOMETRIES AND SPECTROSCOPIC PARAMETERS DUE TO THE SOLVENT-SOLUTE INTERACTIONS STUDIED BY MEANS OF COMPUTER SIMULATIONS Paweł Rejmak, Jorge S. Dolado, Malcolm Stott, Andrés Ayuela DFT STUDY ON 29 Si MAS NMR SPECTRA OF AMORPHOUS PHASES OF PORTLAND CEMENT Jerzy Sitkowski, ElŜbieta Bednarek, Wojciech Bocian, Lech Kozerski, Zbigniew Fijałek IDENTIFICATION OF PSYCHOACTIVE SUBSTANCES AND PHARMACEUTICALS IN DESIGNER DRUGS

5 P-32 P-33 P-34 P-35 P-36 P-37 P-38 P-39 Ewa A. Skorupska, Magdalena Ciechańska, Andrzej Jóźwiak, Arkadiusz Kłys, Ryszard B. Nazarski DYNAMIC 1 H NMR STUDY OF HINDERED INTERNAL ROTATION IN SELECTED N,N-DIALKYLISONICOTINIC AMIDES: AN EXPERIMENTAL AND THEORETICAL ANALYSIS M. Stachów, T. Kupka, E. Chełmecka, K. Pasterny, L. Stobiński NMR CHARACTERIZATION OF MODEL CARBON NANOTUBES O. Staszewska-Krajewska, M. Maciejko, B. Furman A SIMPLE METHOD FOR THE ASSIGNMENT OF THE RELATIVE STEREOCHEMISTRY OF CLAVAMS AND CARBAPENAMS Katarzyna Szwarc, Paweł Szczeblewski, Jan Pawlak, Paweł Sowiński, Edward Borowski THE STRUCTURE OF LEVORIN A1, A MINOR COMPONENT OF LEVORIN COMPLEX Marta W. Szulik, Irine Khutsishvili, Manjori Ganguly, Bogusław Nocek, Patrick S. Donahue, Kate Clancy, Luis A. Marky, Barry Gold, Michael P. Stone BIOPHYSICAL CHARACTERIZATION OF DNA: STRUCTURAL AND THERMODYNAMIC ASPECTS OF CYTOSINE OXIDATION Katarzyna Szykuła, Karol Jackowski INVESTIGATION OF 13 C SHIELDING IN SELECTED LIQUID HYDROCARBONS Sławomir Szymański SPIN-LATTICE RELAXATION OF THE METHYL GROUP PROTONS REVISITED. A DAMPED QUANTUM ROTATION APPROACH. Elena Tupikina, Peter Tolstoy, Sergey Smirnov, Nikolai Golubev, Gleb Denisov HYDROXYPHENYL BENZIMIDAZOLE AS CATALYST FOR HYDROLYSIS REACTION: SERINE PROTEASE ACTIVE SITE MODEL

6 P-40 P-41 P-42 P-43 P-44 P-45 P-46 P-47 Mateusz Urbańczyk, Diana Bernin, Wiktor Koźmiński, Krzysztof Kazimierczuk ITERATIVE TRESHOLDING ALGORITHM FOR MULTI-EXPONENTIAL DECAY APPLIED TO PFG NMR DATA Sergey I. Vdovenko, Igor I. Gerus, Yurii Zhuk, Valerii P. Kukhar INVESTIGATION OF THE E Z EQUILIBRIUM OF 4-(DIMETHYLAMINO)-1,1,1-TRIFLUORO- -3-(TRIFLUOROMETHYL)BUT-3-EN-2-ONE BY 1 H, 19 F NMR AND FT-IR SPECTROSCOPY Dominik Walczak, Andrzej Nowacki, Damian Trzybiński, Artur Sikorski, Beata Liberek NMR STUDIES OF THE RIGID FURANOID RING D. Wieczorek, H. Studnik, J. Lipok, P. Kafarski 31 P NMR AS A USEFUL TECHNIQUE FOR MEASUREMENT OF ORGANOPHOFPHORUS COMPOUNDS IN CYANOBACTERIAL AND FUNGAL CULTURES Dorota Wierzuchowska, Lech Skórski, Barbara Blicharska NMR RELAXATION MEASUREMENTS HELPFUL IN MEDICAL DIAGNOSIS Adam Ząbek, Stanisław Deja, Magdalena Klimek-Ochab, Piotr Młynarz APPLICATION OF NMR METABOLOMICS STUDY IN THE DIFFERENTIATION OF FUNGAL PATHOGENS OF THE RESPIRATORY SYSTEM Krzysztof K. Zborowski SOME CHELATES RING SEEM TO BE AROMATIC. NUCLEAR INDEPENDENT CHEMICAL SHIFT STUDY ON SOME COMPLEXES OF MALTOL AND DEFERIPRONE Li Zhao, Zhe Qi, Frédéric Blanc, Guiyun Yu, Sheng Tang, Wenhao Dong, Nianhua Xue, Xuefeng Guo, Luming Peng, Weiping Ding, Clare P. Grey 17 O SOLID-STATE NMR STUDIES OF LAYERED DOUBLE HYDROXIDES (LHDs)

7 P-48 P-49 Szymon śerko, Robert Konrat, Leonhard Geist, Wiktor Koźmiński 7D NMR EXPERIMENTS FOR PROTEIN BACKBONE ASSIGNMENT Marek śylewski, Anna Jakubowska, Katarzyna Kulig APPLICATION OF NUCLEAR MAGNETIC RESONANCE TO DETERMINE THE ABOSLUTE CONFIGURATION OF STEREOISOMERS OF SPIRO DERIVATIVES OF 6-tert-BUTYL-5-METHOXY-6- -METHYL-3,6-DIHYDRO-2H-1,4-OXAZIN-2-ONE