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1

CH···N and CH···O intramolecular hydrogen bonding effects in the 1H, 13C and 15 N NMR spectra of the configurational isomers of 1-vinylpyrrole-2-carbaldehyde oxime substantiated by DFT calculations

Andrei V. Afonin, Igor A. Ushakov, Alexander V. Vashchenko, Dmitry E. Simonenko, Andrei V. Ivanov, Alexander M. Vasil'tsov, Al'bina I. Mikhaleva, Boris A. Trofimov

Journal:

Magnetic Resonance in Chemistry

Year:

2009

Language:

english

File:

PDF, 167 KB

english, 2009

2

Structural studies of meso-CF3-3(5)-aryl(hetaryl)- and 3,5-diaryl(dihetaryl)-BODIPY dyes by 1H, 13C and 19F NMR spectroscopy and DFT calculations

Afonin, Andrei V., Ushakov, Igor A., Pavlov, Dmitry V., Petrova, Olga V., Sobenina, Lyubov N., Mikhaleva, Al’bina I., Trofimov, Boris A.

Journal:

Journal of Fluorine Chemistry

Year:

2013

Language:

english

File:

PDF, 321 KB

english, 2013

3

An optimized protocol for the multigram synthesis of 3-(trifluoromethyl)bicyclo[1.1.1]pent-1-ylglycine (CF3-Bpg)

Pavel K. Mykhailiuk, Nataliia M. Voievoda, Sergii Afonin, Anne S. Ulrich, Igor V. Komarov

Journal:

Journal of Fluorine Chemistry

Year:

2010

Language:

english

File:

PDF, 292 KB

english, 2010

4

Incorporation of labile trans-4,5-difluoromethanoproline into a peptide as a stable label for 19F NMR structure analysis

Kubyshkin, Vladimir S., Mykhailiuk, Pavel K., Afonin, Sergii, Grage, Stephan L., Komarov, Igor V., Ulrich, Anne S.

Journal:

Journal of Fluorine Chemistry

Year:

2013

Language:

english

File:

PDF, 1.16 MB

english, 2013

5

A Convenient Route to Trifluoromethyl-Substituted Cyclopropane Derivatives

Mykhailiuk, Pavel, Afonin, Sergii, Ulrich, Anne, Komarov, Igor

Journal:

Year:

2008

Language:

english

File:

PDF, 100 KB

english, 2008

6

N-Vinyl-2-(trifluoroacetylethynyl)pyrroles and E-2-(1-bromo-2-trifluoroacetylethenyl)pyrroles: Cross-coupling vs. addition during CH-functionalization of pyrroles with bromotrifluoroacetylacetylene in solid Al2O3 medium. H-bonding control

Tomilin, Denis N., Gotsko, Maxim D., Sobenina, Lyubov N., Ushakov, Igor A., Afonin, Andrey V., Soshnikov, Dmitri Yu., Trofimov, Alexander B., Koldobsky, Andrey B., Trofimov, Boris A.

Journal:

Journal of Fluorine Chemistry

Year:

2016

Language:

english

File:

PDF, 738 KB

english, 2016

7

Reaction of imidazole derivatives with trifluoromethylated arylacetylenes

Trofimov, Boris A., Andriyankova, Ludmila V., Nikitina, Lina P., Belyaeva, Kseniya V., Mal, Anastasiya G., Afonin, Andrei V., Ushakov, Igor A., Kobychev, Vladimir B., Muzalevskiy, Vasily M., Nenajdenk

Journal:

Journal of Fluorine Chemistry

Year:

2016

Language:

english

File:

PDF, 409 KB

english, 2016

8

Structure Analysis and Conformational Transitions of the Cell Penetrating Peptide Transportan 10 in the Membrane-Bound State

Fanghänel, Susanne, Wadhwani, Parvesh, Strandberg, Erik, Verdurmen, Wouter P. R., Bürck, Jochen, Ehni, Sebastian, Mykhailiuk, Pavel K., Afonin, Sergii, Gerthsen, Dagmar, Komarov, Igor V., Brock, Rolan

Journal:

Year:

2014

Language:

english

File:

PDF, 3.10 MB

english, 2014

9

Configurational and conformational analysis of O-vinyl ketoximes by 1H and 13C NMR spectroscopy

Andrei V. Afonin, Igor A. Ushakov, Sergei V. Zinchenko, Olga A. Tarasova, Boris A. Trofimov

Journal:

Magnetic Resonance in Chemistry

Year:

2000

Language:

english

File:

PDF, 87 KB

english, 2000

10

Conformationally Rigid Trifluoromethyl-Substituted α-Amino Acid Designed for Peptide Structure Analysis by Solid-State 19F NMR Spectroscopy

Pavel K. Mikhailiuk, Sergii Afonin, Alexander N. Chernega, Eduard B. Rusanov, Maxim O. Platonov, Galina G. Dubinina, Marina Berditsch, Anne S. Ulrich, Igor V. Komarov

Journal:

Angewandte Chemie

Year:

2006

Language:

english

File:

PDF, 108 KB

english, 2006

11

Synthesis of Trifluoromethyl-Substituted Proline Analogues as 19F NMR Labels for Peptides in the Polyproline II Conformation

Pavel K. Mykhailiuk, Sergii Afonin, Gennady V. Palamarchuk, Oleg V. Shishkin, Anne S. Ulrich, Igor V. Komarov

Journal:

Angewandte Chemie

Year:

2008

Language:

english

File:

PDF, 425 KB

english, 2008

12

Conformationally Rigid Trifluoromethyl-Substituted α-Amino Acid Designed for Peptide Structure Analysis by Solid-State 19F NMR Spectroscopy

Pavel K. Mikhailiuk, Sergii Afonin, Alexander N. Chernega, Eduard B. Rusanov, Maxim O. Platonov, Galina G. Dubinina, Marina Berditsch, Anne S. Ulrich, Igor V. Komarov

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 109 KB

english, 2006

13

Synthesis of Trifluoromethyl-Substituted Proline Analogues as 19F NMR Labels for Peptides in the Polyproline II Conformation

Pavel K. Mykhailiuk, Sergii Afonin, Gennady V. Palamarchuk, Oleg V. Shishkin, Anne S. Ulrich, Igor V. Komarov

Journal:

Angewandte Chemie International Edition

Year:

2008

Language:

english

File:

PDF, 425 KB

english, 2008

14

O-Vinyldiaryl- and O-Vinylaryl(hetaryl)ketoximes: A Breakthrough in O-Vinyloxime Chemistry.

Alexey B. Zaitsev, Alexander M. Vasil'tsov, Elena Yu. Schmidt, Al'bina I. Mikhaleva, Ludmila V. Morozova, Andrey V. Afonin, Igor' A. Ushakov, Boris A. Trofimov

Journal:

Year:

2003

File:

PDF, 124 KB

2003

15

ChemInform Abstract: (Z)-1-Organyl-2-(2,4-dicyano-1,3-diphenyl-1,3-butadienyl)imidazoles from 1-Substituted Imidazoles with Phenylcyanoacetylene.

Boris A. Trofimov, Lyudmila V. Andriyankova, Kseniya V. Belyaeva, Anastasiya G. Mal'kina, Lina P. Nikitina, Andrei V. Afonin, Igor A. Ushakov

Journal:

Year:

2009

File:

PDF, 17 KB

2009

16

ChemInform Abstract: C2-Functionalization of 1-Substituted Imidazoles with Aldehydes and Electron-Deficient Acetylenes: A Novel Three-Component Reaction.

Boris A. Trofimov, Ludmila V. Andriyankova, Kseniya V. Belyaeva, Anastasiya G. Mal'kina, Lina P. Nikitina, Andrei V. Afonin, Igor' A. Ushakov

Journal:

Year:

2010

File:

PDF, 32 KB

2010

17

ChemInform Abstract: Synthesis of 1-Vinylpyrrole-imidazole Alkaloids.

Kseniya V. Belyaeva, Ludmila V. Andriyankova, Lina P. Nikitina, Andrei V. Ivanov, Andrei V. Afonin, Igor' A. Ushakov, Anastasiya G. Mal'kina, Al'bina I. Mikhaleva, Boris A. Trofimov

Journal:

Year:

2012

File:

PDF, 34 KB

2012

18

Synthesis, Structure, and Spectral Properties of Bis(pyrrol-2-yl)pyridines

Boris A. Trofimov, Alexander M. Vasil'tsov, Elena Yu. Schmidt, Nadezhda V. Zorina, Andrey V. Afonin, Al'bina I. Mikhaleva, Konstantin B. Petrushenko, Igor A. Ushakov, Leonid B. Krivdin, Vitaly K. Bels

Journal:

European Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 180 KB

english, 2005

19

Reaction of Pyridine with Phenylcyanoacetylene: A New Route to Functionalized Polyconjugated 1,4-Dihydropyridine Systems

Boris A. Trofimov, Ludmila V. Andriyankova, Anastasiya G. Mal'kina, Lina P. Nikitina, Andrei V. Afonin, Igor A. Ushakov, Lidiya M. Sinegovskaya, Tamara I. Vakul'skaya

Journal:

European Journal of Organic Chemistry

Year:

2006

Language:

english

File:

PDF, 123 KB

english, 2006

20

2-Arylazo-1-vinylpyrroles: A Novel Promising Family of Reactive Dyes

Boris A. Trofimov, Elena Yu. Schmidt, Al’bina I. Mikhaleva, Alexander M. Vasil’tsov, Alexey B. Zaitsev, Natalia S. Smolyanina, Elena Yu. Senotrusova, Andrey V. Afonin, Igor’ A. Ushakov, Konstantin B.

Journal:

European Journal of Organic Chemistry

Year:

2006

Language:

english

File:

PDF, 254 KB

english, 2006

21

C2-Functionalization of 1-Substituted Imidazoles with Aldehydes and Electron-Deficient Acetylenes: A Novel Three-Component Reaction

Boris A. Trofimov, Ludmila V. Andriyankova, Kseniya V. Belyaeva, Anastasiya G. Mal'kina, Lina P. Nikitina, Andrei V. Afonin, Igor' A. Ushakov

Journal:

European Journal of Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 342 KB

english, 2010

22

Influence of the C—H· · ·N intramolecular interaction on the spatial structures and 1H and 13C NMR parameters of heteroaryl vinyl ethers and sulfides

Andrei V. Afonin, Igor A. Ushakov, Svetlana Yu. Kuznetsova, Lyudmila V. Andriyankova

Journal:

Magnetic Resonance in Chemistry

Year:

2003

Language:

english

File:

PDF, 159 KB

english, 2003

23

Different types of hydrogen bonds in 2-substituted pyrroles and 1-vinyl pyrroles as monitored by 1H, 13C and 15N NMR spectroscopy and ab initio calculations

Andrei V. Afonin, Igor A. Ushakov, Lyubov' N. Sobenina, Zinaida V. Stepanova, Ol'ga V. Petrova, Boris A. Trofimov

Journal:

Magnetic Resonance in Chemistry

Year:

2006

Language:

english

File:

PDF, 151 KB

english, 2006

24

Bifurcated hydrogen-bonding effect on the shielding and coupling constants in trifluoroacetyl pyrroles as studied by 1H, 13C and 15N NMR spectroscopy and DFT calculations

Andrei V. Afonin, Igor A. Ushakov, Al'bina I. Mikhaleva, Boris A. Trofimov

Journal:

Magnetic Resonance in Chemistry

Year:

2007

Language:

english

File:

PDF, 231 KB

english, 2007

25

Comparative analysis of hydrogen bonding with participation of the nitrogen, oxygen and sulfur atoms in the 2(2′-heteroaryl)pyrroles and their trifluoroacetyl derivatives based on the 1H, 13C, 15N spectroscopy and DFT calculations

Andrei V. Afonin, Alexander V. Vashchenko, Igor A. Ushakov, Nadezhda V. Zorina, Elena Yu. Schmidt

Journal:

Magnetic Resonance in Chemistry

Year:

2008

Language:

english

File:

PDF, 153 KB

english, 2008

26

Comparative analysis of 13C shielding constants stereospecificity in the silicon and germanium derivatives of acetylenic aldehyde and ketone oximes based on the 13C NMR spectroscopy and GIAO calculations

Andrei V. Afonin, Dmitry V. Pavlov, Alexander V. Mareev, Dmitry E. Simonenko, Igor A. Ushakov

Journal:

Magnetic Resonance in Chemistry

Year:

2009

Language:

english

File:

PDF, 100 KB

english, 2009

27

Pronounced stereospecificity of 1H, 13C, 15N and 77Se shielding constants in the selenophenyl oximes as shown by NMR spectroscopy and GIAO calculations

Andrei V. Afonin, Dmitry V. Pavlov, Igor A. Ushakov, Elena Yu. Schmidt, Al'bina I. Mikhaleva

Journal:

Magnetic Resonance in Chemistry

Year:

2009

Language:

english

File:

PDF, 132 KB

english, 2009

28

Study of conformations and hydrogen bonds in the configurational isomers of pyrrole-2-carbaldehyde oxime by 1H, 13C and 15N NMR spectroscopy combined with MP2 and DFT calculations and NBO analysis

Andrei V. Afonin, Igor A. Ushakov, Dmitry V. Pavlov, Andrei V. Ivanov, Al'bina I. Mikhaleva

Journal:

Magnetic Resonance in Chemistry

Year:

2010

Language:

english

File:

PDF, 173 KB

english, 2010

29

GIAO, DFT, AIM and NBO analysis of the NH···O intramolecular hydrogen-bond influence on the 1J(N,H) coupling constant in push–pull diaminoenones

Andrei V. Afonin, Igor A. Ushakov, Alexander V. Vashchenko, Evgeniy V. Kondrashov, Alexander Yu. Rulev

Journal:

Magnetic Resonance in Chemistry

Year:

2010

Language:

english

File:

PDF, 209 KB

english, 2010

30

C—H···X (X = N, O, S) intramolecular interaction in 1-vinyl-2-(2′-heteroaryl)pyrroles as monitored by 1H and 13C NMR spectroscopy

Andrei V. Afonin, Igor A. Ushakov, Svetlana Yu. Kuznetsova, Ol'ga V. Petrova, Elena Yu. Schmidt, Al'bina I. Mikhaleva

Journal:

Magnetic Resonance in Chemistry

Year:

2002

Language:

english

File:

PDF, 147 KB

english, 2002

31

Unexpected formation of 4-methyl-1-vinyl-δ-carboline in the reaction of 3-acetylindole oxime with acetylene

Boris A. Trofimov, Elena Yu. Schmidt, Albina I. Mikhaleva, Nadezhda V. Zorina, Igor A. Ushakov, Andrey V. Afonin, Alexander M. Vasil’tsov

Journal:

Mendeleev Communications

Year:

2007

Language:

english

File:

PDF, 284 KB

english, 2007

32

(Z)-1-Organyl-2-(2,4-dicyano-1,3-diphenyl-1,3-butadienyl)imidazoles from 1-substituted imidazoles with phenylcyanoacetylene

Boris A. Trofimov, Lyudmila V. Andriyankova, Kseniya V. Belyaeva, Anastasiya G. Mal’kina, Lina P. Nikitina, Andrei V. Afonin, Igor A. Ushakov

Journal:

Mendeleev Communications

Year:

2009

Language:

english

File:

PDF, 240 KB

english, 2009

33

Regio- and stereoselective annelation of phenanthridines with α,β-acetylenic γ-hydroxyacid nitriles

Ludmila V. Andriyankova, Anastasiya G. Mal'kina, Lina P. Nikitina, Kseniya V. Belyaeva, Igor A. Ushakov, Andrei V. Afonin, Mikhail V. Nikitin, Boris A. Trofimov

Journal:

Year:

2005

Language:

english

File:

PDF, 139 KB

english, 2005

34

O-Vinyldiaryl- and O-vinylaryl(hetaryl)ketoximes: a breakthrough in O-vinyloxime chemistry

Alexey B Zaitsev, Alexander M Vasil'tsov, Elena Yu Schmidt, Al'bina I Mikhaleva, Ludmila V Morozova, Andrey V Afonin, Igor' A Ushakov, Boris A Trofimov

Journal:

Year:

2002

Language:

english

File:

PDF, 127 KB

english, 2002

35

Evaluating the amino acid CF3-bicyclopentylglycine as a new label for solid-state 19F-NMR structure analysis of membrane-bound peptides

Sergii Afonin, Pavel K. Mikhailiuk, Igor V. Komarov, Anne S. Ulrich

Journal:

Journal of Peptide Science

Year:

2007

Language:

english

File:

PDF, 547 KB

english, 2007

36

1-Vinylpyrrole-2-carbaldehyde oximes: synthesis, isomerization, and spectral properties

Alexander M. Vasil’tsov, Kai Zhang, Andrei V. Ivanov, Igor A. Ushakov, Andrei V. Afonin, Konstantin B. Petrushenko, Shayu Li, Jin Shi Ma, Al’bina I. Mikhaleva, Boris A. Trofimov, Guoqiang Yang

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2009

Language:

english

File:

PDF, 378 KB

english, 2009

37

Compatibility of the conformationally rigid CF3-Bpg side chain with the hydrophobic coiled-coil interface

Mario Salwiczek, Pavel K. Mikhailiuk, Sergii Afonin, Igor V. Komarov, Anne S. Ulrich, Beate Koksch

Journal:

Year:

2010

Language:

english

File:

PDF, 255 KB

english, 2010

38

Solid state 19F NMR parameters of fluorine-labeled amino acids. Part II: Aliphatic substituents

Stephan L. Grage, Ulrich H.N. Dürr, Sergii Afonin, Pavel K. Mikhailiuk, Igor V. Komarov, Anne S. Ulrich

Journal:

Journal of Magnetic Resonance

Year:

2008

Language:

english

File:

PDF, 323 KB

english, 2008

39

Stereospecific protonation of pyrrole-2-carboxaldehyde Z-oximes as a result of through-space cation stabilization with oxime hydroxyl

Boris A. Trofimov, Andrei V. Ivanov, Igor A. Ushakov, Andrei V. Afonin, Elena Yu. Schmidt, Al’bina I. Mikhaleva

Journal:

Mendeleev Communications

Year:

2011

Language:

english

File:

PDF, 355 KB

english, 2011

40

Crystal structure of an anti-interleukin-2 monoclonal antibody Fab complexed with an antigenic nonapeptide

Pavel V. Afonin, Andrey V. Fokin, Igor N. Tsygannik, Irina YU. Mikhailova, Lyudmila V. Onoprienko, Inna I. Mikhaleva, Vadim T. Ivanov, Tat'yana YU. Mareeva, Vladimir A. Nesmeyanov, Naiyin Li, Walter A

Journal:

Protein Science

Year:

2001

Language:

english

File:

PDF, 586 KB

english, 2001

41

Stereospecificity of 1H, 13C and 15N shielding constants in the isomers of methylglyoxal bisdimethylhydrazone: problem with configurational assignment based on 1H chemical shifts

Andrei V. Afonin, Dmitry V. Pavlov, Igor A. Ushakov, Natalia A. Keiko

Journal:

Magnetic Resonance in Chemistry

Year:

2012

Language:

english

File:

PDF, 433 KB

english, 2012

42

Incorporation of cis - and trans -4,5-Difluoromethanoprolines into Polypeptides

Kubyshkin, Vladimir S., Mykhailiuk, Pavel K., Afonin, Sergii, Ulrich, Anne S., Komarov, Igor V.

Journal:

Organic Letters

Year:

2012

Language:

english

File:

PDF, 472 KB

english, 2012

43

A 19 F NMR Label to Substitute Polar Amino Acids in Peptides: A CF 3 -Substituted Analogue of Serine and Threonine

Tkachenko, Anton N., Mykhailiuk, Pavel K., Afonin, Sergii, Radchenko, Dmytro S., Kubyshkin, Vladimir S., Ulrich, Anne S., Komarov, Igor V.

Journal:

Angewandte Chemie

Year:

2013

Language:

english

File:

PDF, 480 KB

english, 2013

44

A 19 F NMR Label to Substitute Polar Amino Acids in Peptides: A CF 3 -Substituted Analogue of Serine and Threonine

Tkachenko, Anton N., Mykhailiuk, Pavel K., Afonin, Sergii, Radchenko, Dmytro S., Kubyshkin, Vladimir S., Ulrich, Anne S., Komarov, Igor V.

Journal:

Angewandte Chemie International Edition

Year:

2013

Language:

english

File:

PDF, 504 KB

english, 2013

45

ChemInform Abstract: Stereoselective Metal-Free Reaction of Imidazoles with Isothiocyanates Involving Cyanophenylacetylene: A Shortcut to N-(Z-Alkenyl)imidazole-2-carbothioamides.

Trofimov, Boris A., Andriyankova, Ludmila V., Nikitina, Lina P., Belyaeva, Kseniya V., Mal'kina, Anatasiya G., Afonin, Andrei V., Ushakov, Igor' A.

Journal:

Year:

2012

File:

PDF, 26 KB

2012

46

The Alignment of Membrane-Active Peptides Depends on the Lipid Phase State as Viewed by solid state 19F-NMR

Afonin, Sergii, Grage, Stephan L., Ieronimo, Marco, Maisch, Daniel, Wadhwani, Parvesh, Mykhailiuk, Pavel K., Salgado, Jesus, Komarov, Igor V., Ulrich, Anne S.

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 37 KB

english, 2009

47

Incorporation of cis - and trans -4,5-Difluoromethanoprolines into Polypeptides

Kubyshkin, Vladimir S., Mykhailiuk, Pavel K., Afonin, Sergii, Ulrich, Anne S., Komarov, Igor V.

Journal:

Organic Letters

Year:

2012

File:

PDF, 93 KB

2012

48

Stereoselective Tandem Ring Opening of Imidazoles with Electron-Deficient Acetylenes and Water: Synthesis of Functionalized ( Z , Z )-1,4-Diaza-2,5-dienes

Trofimov, Boris A., Andriyankova, Ludmila V., Nikitina, Lina P., Belyaeva, Kseniya V., Mal’kina, Anastasia G., Sobenina, Lubov N., Afonin, Andrei V., Ushakov, Igor A.

Journal:

Organic Letters

Year:

2013

Language:

english

File:

PDF, 316 KB

english, 2013

49

Design, Synthesis, and Application of a Trifluoromethylated Phenylalanine Analogue as a Label to Study Peptides by Solid-State 19 F NMR Spectroscopy

Tkachenko, Anton N., Radchenko, Dmytro S., Mykhailiuk, Pavel K., Afonin, Sergii, Ulrich, Anne S., Komarov, Igor V.

Journal:

Angewandte Chemie International Edition

Year:

2013

Language:

english

File:

PDF, 689 KB

english, 2013

50

Structural peculiarities of configurational isomers of 1-styrylpyrroles according to 1 Н, 13 С and 15 N NMR spectroscopy and density functional theory calculations: electronic and steric hindrance for planar structure

Afonin, Andrei V., Ushakov, Igor A., Pavlov, Dmitry V., Schmidt, Elena Yu., Dvorko, Marina Yu.

Journal:

Magnetic Resonance in Chemistry

Year:

2013

Language:

english

File:

PDF, 838 KB

english, 2013