KFU. Card publication. Spatial structure of felodipine dissolved in DMSO by 1D NOE and 2D NOESY NMR spectroscopy

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SPATIAL STRUCTURE OF FELODIPINE DISSOLVED IN DMSO BY 1D NOE AND 2D NOESY NMR SPECTROSCOPY

Form of presentation

Articles in international journals and collections

Year of publication

2013

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Authors, employees of KFU

Blokhin Dmitriy Sergeevich, author

Klochkov Vladimir Vasilevich, author

Khodov Ilya Anatolevich, author

Bibliographic description in the original language

Khodov I.A, Nikiforov M.Yu, Alper G.A, Spatial structure of felodipine dissolved in DMSO by 1D NOE and 2D NOESY NMR spectroscopy//Journal of Molecular Structure. - 2013. - Vol.1035, Is.. - P.358-362.

Annotation

Small organic molecules in dissolved state exist as an ensemble of conformers. In this work conformation of felodipine in dimethyl sulphoxide was studied and dominant stable conformers were determined. Effective interatomic distances were obtained by means of NOE spectroscopy. Fractions of different conformers were estimated by comparing effective distances and those obtained from quantum-chemical calculation [8]; averaging of distances was made following the N-site jump model. ? 2012 Elsevier B.V. All rights reserved.

Keywords

Conformational analysis, Jump model, NOE, Nuclear magnetic resonance.

The name of the journal

JOURNAL OF MOLECULAR STRUCTURE

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84873579118&partnerID=40&md5=941f992469cbb9d05fd4faeddc03ee58

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=159266&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Blokhin Dmitriy Sergeevich	ru_RU
dc.contributor.author	Klochkov Vladimir Vasilevich	ru_RU
dc.contributor.author	Khodov Ilya Anatolevich	ru_RU
dc.date.accessioned	2013-01-01T00:00:00Z	ru_RU
dc.date.available	2013-01-01T00:00:00Z	ru_RU
dc.date.issued	2013	ru_RU
dc.identifier.citation	Khodov I.A, Nikiforov M.Yu, Alper G.A, Spatial structure of felodipine dissolved in DMSO by 1D NOE and 2D NOESY NMR spectroscopy//Journal of Molecular Structure. - 2013. - Vol.1035, Is.. - P.358-362.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=159266&p_lang=2	ru_RU
dc.description.abstract	JOURNAL OF MOLECULAR STRUCTURE	ru_RU
dc.description.abstract	Small organic molecules in dissolved state exist as an ensemble of conformers. In this work conformation of felodipine in dimethyl sulphoxide was studied and dominant stable conformers were determined. Effective interatomic distances were obtained by means of NOE spectroscopy. Fractions of different conformers were estimated by comparing effective distances and those obtained from quantum-chemical calculation [8]; averaging of distances was made following the N-site jump model. ? 2012 Elsevier B.V. All rights reserved.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Conformational analysis	ru_RU
dc.subject	Jump model	ru_RU
dc.subject	NOE	ru_RU
dc.subject	Nuclear magnetic resonance.	ru_RU
dc.title	Spatial structure of felodipine dissolved in DMSO by 1D NOE and 2D NOESY NMR spectroscopy	ru_RU
dc.type	Articles in international journals and collections	ru_RU