Programme details

VIIth Symposium on:
Nuclear Magnetic Resonance
in Chemistry, Physics and Biological
Sciences
September 26th–28th, 2012, Warsaw, Poland
Tuesday, September 26th
17:00 – 21:00
Registration
Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, Warsaw
entrance: Płocka Street
(Registration Desk will be opened also on Wednesday 26.09, Thursday 27.09 and Friday 28.09)
FL – full lecture
L
– lecture
C
– communication
– poster session
– lunches and breaks
Wednesday, September 26th: Morning and Noon Programme
9:30 – 9:15
Opening Ceremony
Jarosław Jaźwiński (Chairman of the Organizing Committee)
Sławomir Jarosz (Director of the Institute of Organic Chemistry, Polish Academy of Sciences)
9:15 – 11:30
SESSION I: Chairman – Sławomir Jarosz
9:15 – 10:00
FL-1
Poul Erik Hansen
(Roskilde University, Denmark)
A Polish Isotope Effect Odyssey
10:00 – 10:30
FL-2
Pete J. Simpson, S. Kraatz, D. Marini, X. Fu, A. Plechanovová, R. Hay, S. Matthews
(Imperial College London, United Kingdom)
Can Twin SUMOs Be Distinguished? SIMplifying with NMR.
10:30 – 11:00
L-3
William S. Price, T. Stait-Gardner, B. Ghadirian, A. Torres, G. Zheng
(University of Western Sydney, Australia)
New Developments in Diffusion NMR
11:00 – 11:30
L-4
Peter Tolstoy, B. Koeppe, J. Guo, S. Pylaeva, E. Tupikina, G. Denisov, H.-H. Limbach
(St. Petersburg State University, Russia)
Effects of Solvation Shell Structure and Dynamics on Geometry
and NMR/UV-VIS Spectra of H-Bonded Complexes
11:30 – 12:00
Coffee break
12:00 – 13:30
SESSION II: Chairman – Poul Erik Hansen
12:00 – 12:45
FL-5
Józef Kowalewski, T. Brotin, Z. Takacs
(Stockholm University, Sweden)
Guest-Host Complexes of Cryptophanes with Chloromethanes:
Structure and Dynamics
12:45 – 13:30
FL-6
Phillipe Lesot
(Université Paris-Sud, France)
Multinuclear NMR in Chiral Mesophases:
A Fascinating Journey through Stereochemical Analysis
13:30 – 14:30
Lunch
Wednesday, September 26th: Afternoon Programme
14:30 – 17:15
SESSION III: Chairman – Graham A. Webb
14:30 – 15:00
L-7
Stanisław Deja*, P. Młynarz, A. Ząbek, M. Orczyk-Pawiłowicz, M. Głód, T. Dawiskiba,
D. Pawełka, W. Balcerzak
(University of Opole, Poland)
1
H NMR Based Metabolomics Gives Insight
into Disturbed Metabolic Pathways in Various Thyroid Tumors
15:00 – 15:15
C-8
Łukasz Boguszewicz*, A. Skorupa, D. Loska, M. Sokół
(Maria Skłodowska-Curie Memorial Cancer Center and Institute of Oncology, Gliwice Branch, Poland)
Tools for Fast and Fully Automatic Analysis of Vast Numbers
of 1H NMR Spectra
15:15 – 15:30
C-9
Marta W. Szulik*, I. Khutsishvili, M. Ganguly, B. Nocek, P.S. Donahue, K. Clancy,
L.A. Marky, B. Gold, M.P. Stone
(Vanderbilt University, Nashville, USA)
Biophysical Characterization of DNA:
Structural and Thermodynamic Aspects of Cytosine Oxidation
15:30 – 15:45
C-10
Mariusz Jaremko*, Ł. Jaremko, A. Ejchart
(Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Warsaw, Poland)
How Reliable are NMR-Derived Structures within the Ensemble?
The 15N Relaxation Studies.
15:45 – 16:00
C-11
Łukasz Jaremko*, M. Jaremko, P. Bayer, A. Ejchart
(University of Warsaw, Poland)
Can NMR Studies Help in Understanding the Enzyme Adaptation
to Different Thermal Conditions?
16:00 – 16:15
C-12
Piotr Kulinowski, P. DoroŜyński, K. Woyna-Orlewicz, K. Jasiński, W.P. Węglarz
(Institute of Nuclear Physics, Polish Academy of Sciences, Kraków, Poland)
Originator and Generic Controlled Release Tablets –
Characterization by Magnetic Resonance Imaging and Relaxometry
16:15 – 16:45
L-13
Władysław P. Węglarz
(Institute of Nuclear Physics, Polish Academy of Sciences, Kraków, Poland)
Magnetic Resonance Imaging of Diffusion and Perfusion in Living Organisms
– from Basic Research to Medical Applications
16:45 – 17:15
L-14
Piotr Młynarz, S. Deja, A. Ząbek, W. Barg, A. Korzeniewska, A. Kowal, I. Porębska,
R. Jankowska, M. Popek
(Wrocław University of Technology, Poland)
Is NMR Spectroscopy-Bsed Metabolomics a Future Diagnostic Tool
for Lung Diseases?
17:15 – 17:30
Break
17:30 – 20:00
Conference mixer
* – Young Scientists Contest presentations
Thursday, September 27th: Morning and Noon Programme
9:00 – 11:30
SESSION IV: Chairman – Józef Kowalewski
9:00 – 9:45
FL-15
Hans W. Spiess – President of the ISMAR
(the Max Planck Institute, Mainz, Germany)
Magnetic Resonance Studies of Organic Functional Systems
9:45 – 10:15
FL-16
Michał Jaszuński
(Institute of Organic Chemistry, Polish Academy of Sciences, Warsaw, Poland)
The Determination of Accurate Shielding Constants
and Nuclear Magnetic Moments
10:15 – 11:00
FL-17
Karol Jackowski
(University of Warsaw, Poland)
Experimental Methods of the Direct Measurement of Shielding Constants
11:00 – 11:30
L-18
Sławomir Szymański
(Institute of Organic Chemistry, Polish Academy of Sciences, Warsaw, Poland)
Quenching of Coherent Tunneling and Quantum-to-Classical Transition in Solid
State Dynamics of CH3 Groups Investigated by NMR Spectroscopy Methods.
A Revisionist View.
11:30 – 12:00
Coffee break
12:00 – 13:30
SESSION V: Chairman – Hans W. Spiess (President of the ISMAR)
12:00 – 12:45
FL-19
Ibon Alkorta
(Instituto de Quimica Medica, Madrid, Spain)
Pnicogen Interactions. Structural and NMR Studies.
12:45 – 13:30
FL-20
Frank Jensen
(Århus University, Denmark)
Specialized Basis Sets for Calculating NMR Parameters
13:30 – 14:30
Lunch
Thursday, September 27th: Afternoon Programme
14:30 – 17:15
SESSION VI: Chairman – Leonid B. Krivdin
14:30 – 14:45
C-21
Teobald Kupka, M. Stachów, M. Nieradka, J. Kaminsky, S.P.A. Sauer, T. Pluta,
H. Kjær, J. Kongstead
(University of Opole, Poland)
Prediction of NMR Parameters using Dedicated Families of Basis Sets
14:45 – 15:00
C-22
V. Arcisauskaite, J.I. Melo, L. Hemmingsen, Stephan P.A. Sauer
(University of Copenhagen, Denmark)
Nuclear Magnetic Resonance Shielding Constants and Chemical Shifts in Linear
199
Hg Compounds: A Comparison of Three Relativistic Computational Methods
15:00 – 15:15
C-23
Mateusz Urbańczyk*, D. Bernin, W. Koźmiński, K. Kazimierczuk
(University of Warsaw, Poland)
Iterative Tresholding Algorithm for Multi-Exponential Decay
Applied to PFG NMR Data
15:15 – 15:30
C-24
Saurabh Saxena*, S. śerko, A. Zawadzka-Kazimierczuk, W. Koźmiński, L. Geist,
G. Kizilsavas, G. Platzer, R. Konrat
(University of Warsaw, Poland)
Resonance Assignment of Intrinsically Disordered Proteins
Using a Set of Multidimensional (5D) NMR Experiments
15:30 – 15:45
C-25
Szymon śerko*, R. Konrat, L. Geist, W. Koźmiński
(University of Warsaw, Poland)
7D NMR Experiments for Protein Backbone Assignment
15:45 – 16:00
C-26
Li Zhao*, Z. Qi, F. Blanc, G. Yu, S. Tang, W. Dong, N. Xue, X. Guo, L. Peng, W. Ding,
C. P. Grey
(Nanjing University, China)
17
O Solid-State NMR Studies of Layered Double Hydroxides (LHDs)
16:00 – 16:15
C-27
Piotr Garbacz*, R.E. Wasylishen
(University of Warsaw, Poland)
Solid-State NMR Measurements of the Hydride Proton Shielding Tensor
of an Iridium(III) Hydride Complex
16:15 – 16:30
C-28
Magdalena Jaworska*, A. Jeziorna, E. Drabik, M. Potrzebowski
(Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Łódź, Poland)
Solid-State NMR Studies of Thermal Synthesis of Cyclic Peptides
16:30 – 16:45
C-29
Tomasz Pawlak*, M. Jaworska, M. Potrzebowski
(Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Łódź, Poland)
NMR Crystallography of α-Poly(L-lactide)
16:45 – 17:00
C-30
Piotr Paluch*, M. Potrzebowski
(Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Łódź, Poland)
NMR Study of tris(Pentafluorophenyl)corrole
17:00 – 17:15
C-31
Piotr Bernatowicz, B. Kusiak, J. Gregorowicz
(Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw, Poland)
DOSY in Investigations of the Micellization Processes in Hydrophilic Ionic
Liquids
17:15 – 18:15
POSTER SESSION
18:15 – 18:30
Announcement of the results of the Young Scientists Contest
18:30 – …….
Free Evening ☺
* – Young Scientists Contest presentations
Friday, September 28th: Morning and Noon Programme
9:00 – 11:30
SESSION VII: Chairman – Ibon Alkorta
9:00 – 9:45
FL-32
Marek Potrzebowski
(Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Łódź, Poland)
Very Fast MAS NMR – A New Challenge for Solid State NMR Spectroscopy
9:45 – 10:30
FL-33
Jean-Paul Amoureux
(Lille North of France University, France)
New Solid-State NMR Methods Recently Developed for Ultra-Fast MAS
and High-Field Spectrometers: Proximities of Quadrupolar Nuclei in Solids
and Structural Analysis of Bio-Molecules
10:30 – 11:15
FL-34
David L. Bryce, F.A. Perras, C.M. Widdifield, J. Viger-Gravel, S. Leclerc, K.M.N. Burgess,
R.P. Chapman, R.J. Attrell
(University of Ottawa, Canada)
Development and Applications of Quadrupolar Halogen Solid State
NMR Spectroscopy
12:00 – 12:15
C-35
Hiroaki Sasakawa
(JEOL, NMR Department, United Kingdom)
Faster, Larger, Quicker
11:30 – 12:00
Coffee break
12:00 – 14:15
SESSION VII: Chairman – Marek Potrzebowski
12:00 – 12:15
C-36
Gerhard Althoff-Ospelt
(Bruker BioSpin GmbH)
Bruker BioSpin: Latest Developments with Focus on Solid State NMR
12:15 – 12:30
C-37
Ute C. Marx
(Bruker BioSpin GmbH)
Bruker BioSpin: Latest Developments with Focus on High Resolution NMR
12:30 – 13:00
FL-38
Leonid B. Krivdin, Yu.Yu. Rusakov, K.A. Chernyshev, I.L. Rusakova
(A.E. Favorsky Institute of Chemistry, Russian Academy of Sciences, Irkutsk, Russia)
Recent Advances in Structural and Stereochemical Applications
of Computational NMR
13:00 – 13:30
L-39
Paweł Rejmak, J.S. Dolado, M. Stott, A. Ayuela
(Donostia International Physics Center, Donostia – San Sebastian, Spain)
Computational Study on 29Si NMR in Hydrated Portland Cement
13:30 – 14:00
L-40
Krzysztof Kazimierczuk, M. Misiak, K. Chmurski, W. Koźmiński, V.Yu. Orekhov
(University of Warsaw, Poland)
Compressed Sensing in NMR Spectroscopy
14:00 – 14:15
Closing Remarks
Jarosław Jaźwiński (Chairman of the Organizing Committee)
Sławomir Jarosz (Director of the Institute of Organic Chemistry, Polish Academy of Sciences)
14:15 – 15:15
Lunch