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The role of spatial dispersion of the dielectric constant of spherical water cavity in the lowering of the free energy of ion transfer to the cavityстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 8 сентября 2021 г.
- Автор: Rubashkin A.A.
- Журнал: Russian Journal of Electrochemistry
- Том: 50
- Номер: 11
- Год издания: 2014
- Издательство: Maik Nauka/Interperiodica Publishing
- Местоположение издательства: Russian Federation
- Первая страница: 1090
- Последняя страница: 1094
- DOI: 10.1134/S1023193514110093
- Аннотация: Simple analytical expression is derived for the changes in the ion solvation energy WNE upon its transfer to the center of water cavity with radius RCav, surrounded by protein substance with dielectric constant ɛp. In the derivation, nonlocal-electrostatic Poisson equation for the water cavity was solved by using Hildebrandt method called in literature “New Formulation of Nonlocal Electrostatics.” It was shown that for potassium channel with the most open conformation KcsA, at RCav = 1.6 nm and the water correlation length Λ = 0.8 nm, the energy WNE is by 1.25 kBT less that the resolvation energy calculated by the classical theory with the cavity’s dielectric constant ɛCav = 78.5. Therefore, the nonlocal-electrostatic effects in the water cavity of the potassium channel facilitate K+ transfer over the potential barrier in the channel’s cavity. The lowering of the cavity radius results in the K+ sucking up into the channel cavity; the effect is missed in the classical electrostatics.
- Добавил в систему: Рубашкин Андрей Александрович