PROGRAMME IN DETAILS

PROGRAMME IN DETAILS
WEDNESDAY, September 28
REGISTRATION
8.00 - 9.00
(Institute of Organic Chemistry, Polish Academy of Sciences)
OPENING CEREMONY
9:00 – 9:30
Jarosław Jaźwiński
(Chairman of the Organizing Committee)
SESSION I (Chairman: Sławomir Jarosz)
Karol Jackowski
9:30 – 10:15
(Laboratory of NMR Spectroscopy, Faculty of Chemistry, University of
Warsaw, Warsaw, Poland)
FL-1
EXPERIMENTAL STUDIES OF INTERMOLECULAR EFFECTS ON
NUCLEAR MAGNETIC SHIELDING AND SPIN-SPIN COUPLING
Radek Marek
10:15 – 11:00
(CEITEC – Central European Institute of Technology, Masaryk University,
Brno, Czech Republic)
FL-2
CAN WE INTERPRET NMR SPECTRA OF PARAMAGNETIC
SYSTEMS? SOME HINTS FOR RU(III) COMPLEXES
Thomas Zellhofer
10:00 – 11:15
(ROTOTEC SPINTEC GmbH, Kelkheim-Ruppertshain, Germany)
C-3
THE NMR ACCESSORY RANGE OF ROTOTEC SPINTEC
11:15 – 11:45
Coffee break
SESSION II (Chairman: Michał Jaszuński)
Michal Repisky, Stanislav Komorovsky, Kenneth Ruud
(Centre for Theoretical and Computational Chemistry (CTCC)
11:45 – 12:30
Department of Chemistry, University of Tromsø–The Arctic University of
Norway, Tromsø, Norway)
FL-4
RECENT ADVANCES IN RELATIVISTIC CALCULATIONS OF NMR
PARAMETERS: FROM THEORY TO APPLICATIONS
Magdalena Pecul-Kudelska, Artur Wodyński, Olga Malkina, Katarzyna
Jakubowska, Renata Kasprzyk
12:30 – 13:00
L-5
(University of Warsaw, Faculty of Chemistry, Warsaw, Poland)
RELATIVISTIC EFFECTS
COUPLING CONSTANTS
IN
CALCULATION
OF
SPIN-SPIN
Michal Straka, Jan Vícha, Radek Marek,
13.00 - 13.30
(Institute of Organic Chemistry and Biochemistry, Academy of Sciences of
Czech Republic, Prague, Czech Republic)
HIGH-FREQUENCY 13C AND 29Si CHEMICAL
SUBVALENT TlI AND PbII COMPOUNDS
13:30 – 14:30
SHIFTS
L-6
IN
Lunch
SESSION III (Chairman: Michal Repisky)
Lorenzo Di Bari
14:30 – 15:15
(Dipartimento di Chimica e Chimica industriale, Università di Pisa, Pisa,
Italy)
FL-7
PARAMAGNETIC NMR METHODS FOR LANTHANIDE COMPLEXES
Piotr Garbacz
15:15 – 15:45
(Faculty of Chemistry, University of Warsaw, Warsaw, Poland)
CHIRALITY-SENSITIVE
EFFECTS
INDUCED
RELAXATION IN AN ELECTRIC FIELD
BY
L-8
NUCLER
Alexandra Shchukina, Krzysztof Kazimierczuk
15:45 – 16:00
(University of Warsaw, Centre of New Technologies, Warsaw, Poland)
C-9
OVERCOMING LINE BROADENING IN REAL-TIME PURE-SHIFT
NMR SPECTROSCOPY
Rupashree Dass, Katarzyna Grudziąż, Takao Ishikawa, Krzysztof
Kazimierczuk
16:00 – 16:15
C-10
(Faculty of Chemistry, University of Warsaw, Warsaw, Poland)
APPLICATION OF NUS TO MONITOR IN-VIVO PROCESSES
Claudia Puchner, Thomas Eixelsberger, Lothar Brecker, Bernd Nidetzky
16:15 – 16:30
(University of Vienna, Institute of Organic Chemistry, Wien, Austria)
BINDING PATTERN STUDIES OF UDP-GLCUA AND DERIVATIVES
TO HUMAN UDP-XYLOSE SYNTHASE AND UDP-APIOSE
SYNTHASE
16:30 – 17:00
Break
17:00 – 21:00
Conference mixer
C-11
THURSDAY, September 29
SESSION IV (Chairman: Graham A. Webb)
Geoffroy Bodenhausen
9:00 – 9:45
(Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique
Fédérale de Lausanne, Lausanne, Switzerland)
FL-12
DRUG SCREENING BOOSTED BY HYPERPOLARIZED LONG-LIVED
STATES
Gerd Buntkowsky
9:45 – 10:30
(Institute of Physical Chemistry, Technical University Darmstadt, Germany)
REVEALING STRUCTURES OF HETEROGENOUS CATALYST BY
DYNAMIC NUCLEAR POLARIZATION ENHANCED SOLID STATE
NMR
FL-13
Jiquan Liu, Yeping Xu, Pedro B. Groszewicz, Torsten Gutmann, Gerd
Buntkowsky
10:30 – 10:45
(Eduard-Zintl-Institute for Inorganic Chemistry and Physical Chemistry,
Technical University Darmstadt, Darmstadt, Germany)
C-14
UNDERSTANDING OF IMMOBILIZED DIRHODIUM CATALYST VIA
SOLID-STATE NMR
Adolfo Botana
10:45 – 11:15
JEOL (UK) Ltd., Sales Department in Poland
L-15
JEOL (Europe) SAS
JEOL NMR - HOW TO MAKE LIFE EASIER
11:15 – 11:45
Coffee break
SESSION V (Chairman: Lorenzo Di Bari)
Marco Geppi, Marta Bonaccorsi, Silvia Borsacchi, Lucia Calucci, Elisa
Carignani, Claudia Forte, Francesca Martini
11:45 – 12:30
(Department of Chemistry and Industrial Chemistry, University of Pisa,
Pisa, Italy; ICCOM-CNR Pisa, Area della ricerca CNR, Pisa, Italy)
FL-16
MOLECULAR DYNAMICS AND PHASE TRANSFORMATIONS:
FROM SOFT MATTER TO CRYSTALLINE SOLIDS
Marta K. Dudek, Agata Jeziorna, Tomasz Pawlak, Piotr Paluch,
Marek J. Potrzebowski
12:30 – 13:00
(Centre of Molecular and Macromolecular Studies PAS, Structural Studies
Department, Lodz, Poland)
NMR CRYSTALLOGRAPHY FOR STUDYING
PROCESSES OF MOLECULAR CRYSTALS
DEHYDRATION
L-17
Piotr Paluch, Tomasz Pawlak, Julien Trébosc, Jean-Paul Amoureux, Marek
J. Potrzebowski
13.00 - 13.15
(Polish Academy of Sciences, Centre of Molecular and Macromolecular
Studies, Lodz, Poland)
C-18
CP-VC TECHNIQUES FOR
APPLICATION OF 2D AND 3D
MEASURING OF 1H-13C, 1H-15N, 1H-31P DIPOLAR COUPLING AT
ULTRA-FAST MAGIC ANGLE SPINNING
Ewa Skorupska, Agata Jeziorna, Marek J. Potrzebowski
13.15 - 13.30
(Centre of Molecular and Macromolecular Studies; Polish Academy of
Sciences, Lodz, Poland)
SOLID
STATE
NMR
STUDIES
COCRYSTALS
EMBEDDED
IN
NANOPARTICLE MATERIALS
13:30 – 14:30
C-19
OF
PHARMACEUTICAL
MESOPOROUS
SILICA
Lunch
SESSION VI (Chairman: Lech Kozerski)
Wiktor Koźmiński
14:30 – 15:15
(Faculty of Chemistry, Biological and Chemical Research Centre, University
of Warsaw, Warsaw, Poland)
FL-20
HIGH RESOLUTION MULTTIDIMENSIONAL NMR SPECTROSCOPY
OF BIOMOLECULES
Leszek Królicki, Ewa Zalewska, Kamil Lorenc
15:15– 16.00
(Warsaw Medical University, Warsaw, Poland; Nalecz Institute of
Biocybernetics and Biomedical Engineering, Polish Academy of Sciences
Warsaw, Poland)
MOLECULAR IMAGING IN CLINICAL PRACTICE - DNP-MRS
VERSUS PET
16.00 – 17:45
POSTER SESSION
17:45 – 18:00
Announcement of the results of the Young Scientists Contest
18:00 – …….
FREE EVENING 
FL-21
FRIDAY, September 30
SESSION VII (Chairman: Marco Geppi)
Jadwiga Tritt-Goc
9:15 – 10.00
(Institute of Molecular Physics, Polish Academy of Sciences, Poznan,
Poland)
EFFECT OF GEL MATRIX CONFINEMENT ON
DYNAMICS IN MOLECULAR GELS: NMR STUDIES
FL-22
SOLVENT
Zdzisław T. Lalowicz
10.00 – 10:45
(Institute of Nuclear Physics Polish Academy of Sciences, Krakow, Poland)
FL-23
DIVERSE DYNAMICS OF MOLECULES IN CONFINED SPACE OF
ZEOLITE CAGES. A DEUTERON NMR INVESTIGATION
Teobald Kupka, Marzena Jankowska, Michał Stachów, Klaudia Radula,
Aneta Buczek, Małgorzata Broda, Arleta Stadniczuk, Agata Podgórna,
Stephan P. A. Sauer, Jakub Kaminský, M. Khodam Hazrati, Nasser L.
Hadipour
10:45 – 11.00
C-24
(University of Opole, Faculty of Chemistry, Opole, Poland)
FROM MEDIUM SIZE MOLECULES TO CARBON NANOSYSTEMS:
THEORETICAL
CHARACTERIZATION
USING
GIAO
NMR
CALCULATIONS
Ján Tarábek, Eliška Procházková, Lucie Čechová, Zlatko Janeba, Martin
Dračínský
11.00 - 11.15
(Institute of Organic Chemistry and Biochemistry of the Czech Academy of
Sciences, Prague, Czech Republic)
C-25
COMBINED NMR/EPR/DFT STUDY ON ELECTRON DENSITY
“PUSH-PULL” PROCESS IN 5-NITROSOPYRIMIDINES
11:15 – 11.45
Coffee break
SESSION VIII (Chairman: Marek Potrzebowski)
Piotr Młynarz
11:45 – 12:15
(Bioorganic Chemistry Group, Department of Chemistry, Wroclaw
University of Technology, Wroclaw, Poland)
IS NMR SPECTROSCOPY-BASED METABOLOMICS A FUTURE FOR
VETERINARY DIAGNOSIS?
L-26
Lech Kozerski, Beata Naumczuk, Robert Kawęcki, Wojciech Bocian,
Elżbieta Bednarek, Jerzy Sitkowski
12.15 – 12.45
(Institute of Organic Chemistry, Polish Academy of Sciences, Warsaw,
Poland)
L-27
THE TARGETED CHEMOTHERAPY USING NEW GENERATION OF
TOP I INHIBITORS FROM CAMPTOTHECIN FAMILY ALKYLATING
DNA
12:45 – 13.15
13:15 – 13.30
13.30 – 14.30
(PRESENTATION OF BRUKER REPRESANTIVE)
Bruker Polska Sp. z o.o.ul. Budziszynska 69, 60-179 Poznan POLAND
CLOSING REMARKS
Jarosław Jaźwiński
(Chairman of the Organizing Committee)
Sławomir Jarosz
(Director of the Institute of Organic Chemistry, Polish Academy of Sciences)
Lunch
L-28