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Archive for Conferences

08 Jul 2013
Conferences

Euromar-2013

The Center’s employees took part in the «Euromar-2013»:

  • P. Tolstoy, B. Koeppe, S. Pylaeva, E. Tupikina, G. Denisov, H.-H. Limbach, «Combined Measurements of UV and NMR Spectra: Solvent and H/D Isotope Effects on the Proton Transfer Pathways in Hydrogen-Bonded Phenol-Carboxylic Acid Anions».
  • B. Koeppe, E.T.J. Nibbering, P. Tolstoy, G. Denisov, H.-H. Limbach, «Combiner NMR-UV-vis and NMR-FTIR Studies of Hydrogen Bonded Complexes in Aprotic Solvents: Hydrogen Bond Correlations and Proton Transfer Pathways».
  • S.O. Rabdano, A.V. Donets, V.I. Chizhik, «Hydration Properties of Functional Groups of Organic Molecules in Aqueous Solution».

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Juan Miguel Lopez del Amo presented a poster on the study of the properties of lithium complexes (potential joint project between CIC Energuiune and our Center).
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20 Jun 2013
Conferences

Orgchem-2013

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Our contribution to the cluster of conferences «Orgchem-2013» (Repino, 17-21.06.2013)

  • Е.Ю. Тупикина, П.М. Толстой, Г.С. Денисов, «Изменение геометири 1,1-динитроэтана при переходе CH-протона к различным основаниям в комплексах с водородной связью C-H…B»
  • А.А. Гуринов, И.Г. Шендерович, A. Zukal, J. Cejka, «Исследование кислотных центров на поверхности мезопористых кремнеземов методом ЯМР спектроскопии»
  • М.А. Вовк, М.С. Павлова, В.И. Чижик, «Расчет констант квадрупольной связи для кластеров CH3COO– * N H2O (N > 24) методом квантовой химии»
  • С.О. Рабдано, А.В. Донец, «Свойства гидратации отдельных функциональных групп органических молекул»

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19 Jun 2013
Conferences • Daybook

Open Doors Day OrgChem-2013

Within the cluster of conferences «OrgChem-2013» we held the Open Doors Day. Six tour groups of 10-15 people each has visited our Center. Excursionists looked at the new equipment, got acquainted with principles of the work of the Center and received promotional materials.

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17 Jun 2013
Conferences • Process

A commendation

The Center on behalf of its director received a commendation for his help in organizing and holding the conference “Mendeleev-2013.”
Mendeleev

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10 Jun 2013
Conferences

«Magnetic resonance as a tool for interdisciplinary research»

P.M. Tolstoy took part in a Regional Interdisciplinary Conference – Humboldt Kolleg «Magnetic resonance as a tool for interdisciplinary research», held 3-6. June 2013 in Novosibirsk, Russia. The result of the trip was the decision to expand the cooperation between the Center and an International Tomography Center.
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03 Jun 2013
Conferences

Central European School on Physical Organic Chemistry 2013

Our contribution to the Central European School on Physical Organic Chemistry, 27-31 of May 2013, Poland

  • Lecture by P.M. Tolstoy «NMR Study of Hydrogen Bond Cooperativity in Model Systems and in Vitamin B6-dependent Enzymes».
  • Oral and poster presentation by S.A. Pylaeva «Molecular dynamics study of OHO– and OHN hydrogen bond geometry distribution due to polar solvent fluctuations».
  • Oral and poster presentation by RC user E.Yu. Tupikina «CH-acids as proton donors for hydrogen bonds: structure and properties of 1,1-dinitroethane».

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09 Apr 2013
Conferences

The Best Start

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Svetlana Pylaeva was awarded “The Best Start” prize at the VII National conference on chemistry and nanomaterials of young scientists, PhD and students with the international participation «Mendeleev-2013», held at the St. Petersburg State University on April 2-5, 2013.

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10 Dec 2012
Conferences

Our contribution to the 9th Winter Youth School Conference Spinus 2012

9th Winter Youth School Conference Spinus 2012, St. Petersburg, Russia, 3-8.12.2012.

a) Lecture
P.M. Tolstoy, H.-H. Limbach, N.S. Golubev, G.S. Denisov, I.G. Shenderovich, S.N. Smirnov, B. Koeppe, J. Guo, S.A. Pylaeva, E.Yu. Tupikina
“Correlations between NMR parameters and hydrogen bond geometry”;

b) Oral presentation
S.A. Pylaeva, B. Koeppe, P.M. Tolstoy, G.S. Denisov
“Solvent effects on the geometry of the OHN hydrogen bond in the 2-methylpyridine – chloroacetic acid complex”

c) Poster
E.Yu. Tupikina, P.M. Tolstoy, S.A. Pylaeva, S.N. Smirnov, G.S. Denisov
“CH acid 1,1-dinitroethan as a hydrogen bond proton donor”

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19 Nov 2012
Conferences

Best presentation at the «Science and Progress 2012»

Symposium «Science and Progress 2012», St.Petersburg, Russia, 12-16.11.2012

Svetlana Pylaeva, Peter Tolstoy, Benjamin Koeppe, Christoph Allolio, Daniel Sebastiani, Gleb Denisov

«Influence of the solvent-solute interactions on geometry and spectroscopic parameters of hydrogen bond studied by means of computer simulations»

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29 Sep 2012
Conferences

VII Symposium NMR in Chemistry, Physics and Biological Sciences

In the VII Symposium «Nuclear Magnetic Resonance in Chemistry, Physics and Biological Sciences» that took place on 25-28 of September 2012 in Warsaw, Poland, we presented a talk:

Peter Tolstoy, Benjamin Koeppe, Jing Guo, Svetlana Pylaeva, Elena Tupikina, Gleb Denisov, Hans-Heinrich Limbach

«Effects of Solvation Shell Structure and Dynamics on Geometry and NMR/UV-vis Spectra of H-bonded Complexes»

and two posters:

1) Elena Tupikina, Peter Tolstoy, Sergey Smirnov, Nikolai Golubev, Gleb Denisov «Hydroxyphenyl Benzimidazole as Catalyst for Hydrolysis Reaction: Serine Protease Active Site Model»

2) 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».

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