КФУ. Карточка публикации. Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation

КАЗАНСКИЙ
ФЕДЕРАЛЬНЫЙ УНИВЕРСИТЕТ

RUS

- EN
- 中文
- ES

DETERMINATION OF PREFERRED CONFORMATIONS OF MEFENAMIC ACID IN DMSO BY NMR SPECTROSCOPY AND GIAO CALCULATION

Форма представления

Статьи в зарубежных журналах и сборниках

Год публикации

2019

Язык

английский

Авторы, сотрудники КФУ

Ефимов Сергей Владимирович, автор

Ходов Илья Анатольевич, автор

Другие авторы

Batista de Carvalho Luís Alberto , автор

Библиографическое описание на языке оригинала

Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation / I.A. Khodov, K.V. Belov, S.V. Efimov, L.A.E. Batista de Carvalho // AIP Conference Proceedings. - 2019. - Vol. 2063. - Art. 040007.

Аннотация

The paper is dedicated to preferred conformations of mefenamic acid in DMSO. A complex approach based on NMR experiments and GIAO quantum chemical calculations was applied to reveal the dominant conformation of the mefenamic acid molecule (2-[(2,3-dimethylphenyl)amino]benzoic acid). Unlike the nuclear Overhauser effect measurements, this method is fast and provides qualitative information on preferred conformations of small molecules in solutions. Obtained results agree well with the X-ray investigation data.

Ключевые слова

NMR, GIAO, mefenamic acid, DMSO, conformation, NOESY

Название журнала

AIP Conference Proceedings

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85060491012&doi=10.1063%2f1.5087339&partnerID=40&md5=eb7ceb37148b9751aceb030b406ef776

Пожалуйста, используйте этот идентификатор, чтобы цитировать или ссылаться на эту карточку

https://repository.kpfu.ru/?p_id=196574

Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Ефимов Сергей Владимирович	ru_RU
dc.contributor.author	Ходов Илья Анатольевич	ru_RU
dc.contributor.author	Batista de Carvalho Luís Alberto	ru_RU
dc.date.accessioned	2019-01-01T00:00:00Z	ru_RU
dc.date.available	2019-01-01T00:00:00Z	ru_RU
dc.date.issued	2019	ru_RU
dc.identifier.citation	Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation / I.A. Khodov, K.V. Belov, S.V. Efimov, L.A.E. Batista de Carvalho // AIP Conference Proceedings. - 2019. - Vol. 2063. - Art. 040007.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/?p_id=196574	ru_RU
dc.description.abstract	AIP Conference Proceedings	ru_RU
dc.description.abstract	The paper is dedicated to preferred conformations of mefenamic acid in DMSO. A complex approach based on NMR experiments and GIAO quantum chemical calculations was applied to reveal the dominant conformation of the mefenamic acid molecule (2-[(2,3-dimethylphenyl)amino]benzoic acid). Unlike the nuclear Overhauser effect measurements, this method is fast and provides qualitative information on preferred conformations of small molecules in solutions. Obtained results agree well with the X-ray investigation data.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	NMR	ru_RU
dc.subject	GIAO	ru_RU
dc.subject	mefenamic acid	ru_RU
dc.subject	DMSO	ru_RU
dc.subject	conformation	ru_RU
dc.subject	NOESY	ru_RU
dc.title	Determination of preferred conformations of mefenamic acid in DMSO by NMR spectroscopy and GIAO calculation	ru_RU
dc.type	Статьи в зарубежных журналах и сборниках	ru_RU