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Programme

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Timetable

Wednesday, March 8

14.00- Arrival & Registration
17.15-17.30 Welcome words
Csaba Szántay Jr.
17.30-18.30 Malcolm Levitt (T)
Nuclear spins far from equilibrium
18.30- Welcome reception

Thursday, March 9

Session 1: PHARMACEUTICALS
Chair: Predrag Novak
8.30-9.10 Christian Griesinger (T)
NMR based techniques useful in characterizing ligand/target interactions
9.10-9.35 Jill Barber (I)
What can NMR spectroscopists bring to mass spectrometry in an age of big data?
9.35-10.00 Jean-Luc Wolfender (I)
Do we still need NMR to identify natural products
10.00-10.15 Zoltán Szakács
Qualification of Mycotoxin Reference Standards – Why Quantitative NMR?
10.15-10.35 Panel discussion #1
10.35-10.50 Coffee break
Session 2: INORGANIC COMPOUNDS
Chair: Jan Sykora
10.50-11.15 István Bányai (I)
Beyond the nD 1H and 13C spectroscopy: Adventures on other fields
11.15-11.40 Gábor Laurenczy (I)
NMR as a unique tool in the quest for sustainable energy/hydrogen storage systems
11.40-11.55 Štěpán Horník
NMR aerosolomics: A convenient route to organic aerosol analysis
11.55-12:10 Ales Ruzicka
Investigation of Structure and Properties of Organometallic and Coordination Compounds Containing Nitrogen Rich Chelating Ligands
12.10-12.25 Panel discussion #2
12.25-14.00 Lunch
Session 3: BINDING AND INTERACTIONS
Chair: Georg Kontaxis
14.00-14.40 Miquel Pons (T)
Close encounters of the fuzzy kind
14.40-15.05 Roberta Pierattelli (I)
The heterogeneous structural behaviour of viral intrinsically disordered proteins revealed by NMR spectroscopy
15.05-15.20 Gyula Batta
Disentangling the protein dark matter
15.20-15.35 Anita Kotar
Structural insights into interactions between G-quadruplex and long-lived fluorescence probe
15:35-15:50 Dusan Uhrin
Reaction monitoring by NMR: Recent advances by the Edinburgh Groups
15.50-16.10 Panel discussion #3
16.10-16.30 Coffee break
16.30-17.30 Come to see my poster
(2 min / poster presentation)
17.45-19.30 Organ concert by Dieter Michel
19.30 – Poster session 1
Wine & cheese party

Friday, March 10

Session 4: BIOMOLECULES
Chair: Janez Plavec and Gyula Batta
8.30-9.10 András Perczel (T)
3D-structure shields the “achilles heel” of proteins: Backbone isomerisation at -NG- amide bonds
9.10-9.35 Michele Vendruscolo (I)
Determination of NMR Protein Ensembles using Metainference
9.35-10.00 Lukas Zidek (I)
Structural features and dynamics of intrinsically disordered proteins
10.00-10.15 Jasna Brcic
Two G-quadruplex structures adopted by oligonucleotide with ALS and FTD linked GGGGCC repeats
10.15-10.35 Panel discussion #4
10.35-10.50 Coffee break
Session 5: SOLIDS
Chair: János Rohonczy
10.50-11.30 Guido Pintacuda (T)
Structure of fully protonated proteins by proton-detected MAS NMR
11.30-11.55 Yusuke Nishiyama (I)
Very fast MAS solid-state NMR for natural abundance samples
11.55-12.10 Martin Dracinsky
And yet it moves: Molecular rotors studied by solid-state NMR
12.10-12.25 Pavletta Shestakova
Solid state NMR characterization of zeolite Beta based drug formulations with antibacterial properties
12.25-12.45 Panel discussion #5
12.45-14.00 Lunch
Session 6: MRI
Chair: Tibor Liptaj
14.00-14.40 Ewald Moser (T)
Recent Advances in Ultra-high Field in vivo 31P-MR Spectroscopy
14.40-15.05 Attila Andics (I)
Imaging the awake dog brain
15.05-15.20 Vladimir Juras
T2 mapping of low-grade cartilage lesions: A follow-up comparative study at 3 at 7 Tesla
15.20-15.40 Panel discussion #6
15.40-15.55 Coffee break
15.55-16.55 Surprise social
17.00-17.50 Come to see my poster
(2 min / poster presentation)
17.50-18.50 Poster session 2
19:00- Departure by bus to the Folklore Dinner
(Venue: Szekér Csárda)

Saturday, March 11

Session 7: BASICS
Chair: Csaba Szántay
8.30-9.10 Stanislav Sykora (T)
NMR in XXI Century: 30 selected things to do and explore
9.10-9.35 Norbert Muller (I)
Refined nuclear spin noise detection in spectroscopy and imaging
9.35-10.00 Lars Hanson (I)
Bloch simulation and MR fundamentals visualized
10.00-10.15 Krzysztof Kazimierczuk
Pitfalls in NUS reconstructions and how to avoid them
10.15-10.35 Panel discussion #7
10.35-10.50 Coffee break
Session 8: SMALL MOLECULES
Chair: Katalin Kövér
10.50-11.30 Mikhail Elyashberg (T)
Computer-Assisted Structure Elucidation (CASE): The 50 years long hurdles
11.30-11.55 Burkhard Luy (I)
Residual dipolar couplings and configurational analysis: How and why?
11.55-12.10 Alexandra Shchukina
Overcoming line broadening in real time pure-shift NMR spectroscopy
12.10-12.25 Panel discussion #8
12.25-13.40 Lunch
Session 9: SOFTWARE AND HARDWARE NEWS
Chair: Wiktor Kozminski
13.40-14.05 Dieter Michel (I)
MAS NMR studies in combination with pulsed field gradient techniques
14.05-14.30 Aldolfo Botana (I)
Simplifying choices with new developments
14.30-14.45 Thomas Zellhofer
Benchtop NMR – a helpful tool in many directions of NMR investigations
14.45-15.00 Panel discussion #9
15.00-16.20 QUIZ (incl. coffee break)
16.30- Renaissance trip to Visegrád with knights’ tournament and royal feast
(Quiz Award & Best Poster Award during the feast)

Sunday, March 12

Session 10: SUNDAY SPECIALS I.
Chair: Andrea Bodor
8.45-9.00 Rupashree Dass
Sensitivity enhancement by Radon-like transform
9.00-9.15 Maja Marušič
Discovering structural heterogeneity of human papillomaviruses’ guanine rich DNA motives
9.15-9.30 Petra Curinova
Understanding to principles of diastereomeric complexes of chiral urea derivatives
9.30-9.45 Eliska Procházková
CIS/TRANS photoisomerism in azopyrimidines: The key role of strong intramolecular H-bonds
9.45-10.00 Petra Rovó
Microsecond Timescale Recognition Dynamics of SH3 Domain in Solid State
10.00-10.20 Panel discussion #10
10.20-10.40 Coffee break
Session 11: SUNDAY SPECIALS II.
Chair: István Bányai
10.40-10.55 Rasmus Linser
Proton-detected fast-MAS solid-state NMR methods coping with large sample heterogeneity – a Tau study
10.55-11.10 Zoltán Béni
Natural Cyclic beta hairpins from Gymnopus Fusipes: Structure Elucidation of Gymnopeptides A and B
11.10-11.25 Róbert Kiss
Whatever NMR can do in the biopharmaceutical industry
11.25-11.40 Vratislav Blechta
Carbon-Carbon Couplings Between Chemically Equivalent or Almost Equivalent Nuclei
11.40-12.00 Panel discussion #11
12.00-12.20 Closing remarks Csaba Szántay Jr.
12.20-14.00 Lunch

POSTERS

Tamás Gyöngyösi Novel clip-cosy based homo- and heteronuclear correlation experiments for semi-automatic NMR assignment of oligosaccharides P-01
Radka Klepochova Detection of Acetylcarnitine in human skeletal muscle: A 7T 1H MRS study P-02
Katalin Kövér Double perfect-echo inept based HSQMBC experiment: More efficient detection of heteronuclear multiple bond correlations and measurement of coupling constants P-03
Attila Domján Complexation study of frustrated Lewis pairs P-04
Zita Harmat Investigating the internal dynamics of a lipid-binding protein with molecular dynamics simulations using NMR data as restraints P-05
Anasztázia Hetényi Target-specific NMR detection of protein–ligand interactions with antibody-relayed 15N-group selective STD P-06
Mónika Kéri Parallel NMR cryoporometry, relaxometry and diffusiometry studies of porous carbon aerogels P-07
Urška Slapšak PrPC N-terminus mediated cross-talk with NCAM fibronectin domain P-08
Márk Szabo NMR study on non-covalent interactions between polymers and models of drug molecules P-09
Gyula Batta Solution structure and dynamics of two new antifungal proteins PAFB and NFAP P-10
Michał Górka Diagonal-free double-TROSY 4D HN(CA)NH experiment for backbone assignment in large proteins P-11
Michal Kalinak Metabolic Changes In Trichoderma atroviride After Exposure to Oxylipins P-12
Vojč Kocman Tetrahelical structures stabilized by GAGA-quartets, minor and major groove GCGC-quartets and G-G pairs in N1-carboniy symmetric geometry P-13
Bertalan Kovacs Dynamic structural ensembles of parvulins based on experimental NOEs and order parameters P-14
Martina Lenarčič Živković Expanding the structural diversity of G-rich sequences: G-hairpin stabilized by G:G base pairs P-15
Arash Mirzahosseini Standard redox potential of thiol-disulfide systems determined with quantitative NMR P-16
Michal Nowakowski Solution structure of bacteriocin BacSp222 from Staphylococcus pseudintermedius 222 P-17
Daša Pavc Quadruplex structure of guanine-rich oligonucleotides with 5′-GC ends P-18
Peter Podbevsek Key determinants for SINEUP activity probed with NMR P-19
Orsolya Tőke The pH-dependence of internal motions in human ileal bile acid-binding protein: Implications for the mechanism of ligand binding P-20
Marko Trajkovski Assessing G-quadruplex and i-motif structural features upon limiting DNA complementarity P-21
Ladislav Baciak Multimodal imaging of hypoxic-ischemic brain lesion in neonatal rats P-22
Daniel Gogola Dedicated low field nitrogen cooled superconductive coil for MRI P-23
Arash Mirzahosseini Localized human in vivo real-time 31P magnetic resonance spectroscopy of skeletal muscle during and following exercise at 7 T P-24
Tomáš Tvrdík Implementation of tractography to animal models with the aim of exact diagnostic and therapeutic approach in neurodegenerative diseases. P-25
Dimitris Argyropoulos Computer assisted structure elucidation of two biflavonoids from the leaves of Ochna mauritiana P-26
Szabolcs Balogh Structure elucidation of Pd complexes of P,N heterobidentate ligands bearing 2,4-pentanediyl backbone P-27
Suresh Kumar Vasa Towards atomic-resolution structure of functional amyloids named hydrophobin rodlets by solid-state NMR P-29
Lubomir Melichercik The Effect of Huperzine A on Early Stages of Dementia in Rat Model Measured by in vivo 1H MRS P-30
Jana Dohanosova Dynamic behavior of isoxazolidinyl epoxides P-31
Orsolya Egyed NMR studies on the role of triaryl boranes in Pd-catalyzed reactions P-32
Juraj Filo Structural changes in photochromic isatin hydrazones monitored by NMR spectroscopy P-33
Dariusz Golowicz NMR-based metabolomics of human body fluids P-34
Branislav Horváth Structure elucidation of unexpected products from reaction of 1-phosphanorbornadiene-2-carboxyaldehyde with alcohols P-35
Jan Imrich NMR can predict regioselectivity of 1,3-dipolar cycloadditions affording isoxazolines from acridin-9/4-YL dipolarophiles and benzonitrile oxides P-36
Uroš Javornik Mechanistic insight into influence of stereochemistry on structural dynamics of P-chiral dinucleotides P-37
Luka Kavčič Structural analysis of α-hydrazino peptides as potential inhibitors of Mdm2 P-38
Gábor Orgován NMR as a tool of pH determination, free of electrodes and reference compounds P-39
Michal Šoral Synthesis and characterization of a novel unexpectedly formed alkaloid 6-5-5-5 tetracyclic core P-40
Áron Szigetvári NMR-based structure elucidation of a surprising trimeric vindoline product with the aid of heteronuclear spectral aliasing methods P-41
Áron Szigetvári Reality or illusion? – Hunting for a mysterious impurity P-42
Jan Tarabek Electron density “push-pull” interaction in series of 5-nitrosopyrimidines studied by NMR/EPR/DFT P-43
Szymon Zerko Improving NUS 5D spectra quality with SSA reconstruction P-44
Alojz Soltys Solid-state NMR study of thermoplastic starch P-45
Andrea Bodor Morphological characterization of bicelles by a combined NMR-SAXS approach P-46
Kristof Grohe
Non-equilibrium hydrogen exchange for determination of H-bond strength and water accessibility in solid proteins P-47
Calin Deleanu

Classification of samples of Arnica Montana Plant based on NMR metabolomics

P-48

 

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Confirmed invited speakers

Dr. Attila Andics,
Eötvös Loránd University,
Budapest, Hungary

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Dr. Jill Barber,
The University of Manchester,
Manchester, United Kingdom

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Prof. Dr. István Bányai,
Dept, of Colloid and Environmental Chemistry, University of Debrecen,
Debrecen, Hungary

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Dr. Adolfo Botana,
JEOL UK,
Herts, United Kingdom

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Prof. Mikhail Elyashberg,
Moscow Dept. of ACD/Labs,
Vernadsky Institute of RAS,
Moscow, Russia

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Prof. Christian Griesinger,
Max Planck Institute
for Biophysical Chemistry,
Göttingen, Germany

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Dr. Lars G. Hanson,
Danish Research Centre
for Magnetic Resonance,
Hvidovre, Denmark

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Prof. Gábor Laurenczy,
Dept. of Inorganic and Analytical Chemistry, University of Lausanne,
Lausanne, Switzerland

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Prof. Malcolm Levitt,
University of Southampton,
Southampton, UK

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Prof. Dr. Burkhard Luy,
Institut für Organische Chemie, Karlsruher Institut für Technologie,
Karlsruhe, Germany

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Prof. Dr. Dieter Michel,
University of Leipzig,
Leipzig, Germany

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Prof. Ewald Moser,
Medical Physics and Biophysics, Medical University of Vienna,
Vienna, Austria

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Univ.-Prof. Mag. Dr. Norbert Müller,
Institute of Organic Chemistry,
Johanens Kepler University,
Linz, Austria

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Dr. Yusuke Nishiyama,
Advanced Solid-state NMR Unit,
RIKEN CLST-JEOL
Collaboration Center,
Yokohama, Kanagawa, Japan

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Prof. András Perczel,
Department of Organic Chemistry, Eötvös Loránd University,
Budapest, Hungary

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Dr. Roberta Pierattelli,
Center for Magnetic Resonance, University of Florence,
Sesto Fiorentino, Italy

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Prof. Guido Pintacuda,
Centre de RMN à Très Hauts Champs FRE 3008
CNRS / UCBL /Ecole Normale Supérieure de Lyon, France

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Prof. Miquel Pons,
Organic Chemistry Department,
University of Barcelona,
Barcelona, Spain

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Dr. Stanislav Sykora,
Extra Byte,
Castano Primo, Italy

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Prof. Michele Vendruscolo,
Department of Chemistry,
University of Cambridge,
Cambridge, United Kingdom

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Prof. Jean-Luc Wolfender,
School of Pharmaceutical Sciences, Bioactive Natural Products Unit, University of Geneva,
Geneva, Switzerland

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Dr. Lukás Zídek,
Central European Institute
of Technology,
Brno, Czech Republic

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About Budapest

Photos by: Tamás Thaler

Symposium Secretariat

Diamond Congress Ltd.,
Mr. Robert Hohol
hoholr@diamond-congress.hu
H-1255 Budapest, P.O. Box 48, Hungary
Phone: +36 1 225 0210
Fax: +36 1 210 2680