| Форма представления | Статьи в зарубежных журналах и сборниках |
| Год публикации | 2016 |
| Язык | английский |
|
Ефимов Сергей Владимирович, автор
Клочков Владимир Васильевич, автор
Ходов Илья Анатольевич, автор
|
|
Batista de Carvalho Luís Alberto Esteves, автор
Киселев Михаил Григорьевич, автор
|
| Библиографическое описание на языке оригинала |
The importance of suppressing spin diffusion effects in the accurate determination of the spatial structure of a flexible molecule by nuclear Overhauser effect spectroscopy |
| Аннотация |
Two-dimensional nuclear Overhauser effect spectroscopy is applied to the elucidation of conformation distribution of small molecules in solution. An essential influence of the nonlinear multistep magnetization transfer (spin diffusion) on the NMR-based analysis of conformers distribution for small druglike molecules in solution was revealed. Therefore, the spin diffusion should be eliminated from the obtained NMR data in order to obtain accurate results. Efficiency of QUIET-NOESY spectroscopy in solving the problem of accurate determination of inter-proton distances in a small molecule was shown in a study of ibuprofen. Although it requires much experimental time, this technique was found to be helpful to solve the spin diffusion problem. ? 2015 Elsevier B.V. All rights reserved. |
| Ключевые слова |
conformation, 2D QUIET-NOESY, ibuprofen, 2D QUIET-NOESY, Conformation, Ibuprofen. |
| Название журнала |
JOURNAL OF MOLECULAR STRUCTURE
|
| URL |
http://www.scopus.com/inward/record.url?eid=2-s2.0-84947272108&partnerID=40&md5=13666b655685a3c23699ffb09a3ae738 |
| Пожалуйста, используйте этот идентификатор, чтобы цитировать или ссылаться на эту карточку |
https://repository.kpfu.ru/?p_id=120417 |
Полная запись метаданных  |
| Поле DC |
Значение |
Язык |
| dc.contributor.author |
Ефимов Сергей Владимирович |
ru_RU |
| dc.contributor.author |
Клочков Владимир Васильевич |
ru_RU |
| dc.contributor.author |
Ходов Илья Анатольевич |
ru_RU |
| dc.contributor.author |
Batista de Carvalho Luís Alberto Esteves |
ru_RU |
| dc.contributor.author |
Киселев Михаил Григорьевич |
ru_RU |
| dc.date.accessioned |
2016-01-01T00:00:00Z |
ru_RU |
| dc.date.available |
2016-01-01T00:00:00Z |
ru_RU |
| dc.date.issued |
2016 |
ru_RU |
| dc.identifier.citation |
The importance of suppressing spin diffusion effects in the accurate determination of the spatial structure of a flexible molecule by nuclear Overhauser effect spectroscopy |
ru_RU |
| dc.identifier.uri |
https://repository.kpfu.ru/?p_id=120417 |
ru_RU |
| dc.description.abstract |
JOURNAL OF MOLECULAR STRUCTURE |
ru_RU |
| dc.description.abstract |
Two-dimensional nuclear Overhauser effect spectroscopy is applied to the elucidation of conformation distribution of small molecules in solution. An essential influence of the nonlinear multistep magnetization transfer (spin diffusion) on the NMR-based analysis of conformers distribution for small druglike molecules in solution was revealed. Therefore, the spin diffusion should be eliminated from the obtained NMR data in order to obtain accurate results. Efficiency of QUIET-NOESY spectroscopy in solving the problem of accurate determination of inter-proton distances in a small molecule was shown in a study of ibuprofen. Although it requires much experimental time, this technique was found to be helpful to solve the spin diffusion problem. ? 2015 Elsevier B.V. All rights reserved. |
ru_RU |
| dc.language.iso |
ru |
ru_RU |
| dc.subject |
conformation |
ru_RU |
| dc.subject |
2D QUIET-NOESY |
ru_RU |
| dc.subject |
ibuprofen |
ru_RU |
| dc.subject |
2D QUIET-NOESY |
ru_RU |
| dc.subject |
Conformation |
ru_RU |
| dc.subject |
Ibuprofen. |
ru_RU |
| dc.title |
The importance of suppressing spin diffusion effects in the accurate determination of the spatial structure of a flexible molecule by nuclear Overhauser effect spectroscopy |
ru_RU |
| dc.type |
Статьи в зарубежных журналах и сборниках |
ru_RU |
|
EN 
中文 
ES 
Карта сайта
