Understanding the Hofmeister effect in interactions between chaotropic anions and lipid bilayers: molecular dynamics simulations.

Understanding the Hofmeister effect in interactions between chaotropic anions and lipid bilayers: molecular dynamics simulations. Research Abstract Details 

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Understanding the Hofmeister effect in interactions between chaotropic anions and lipid bilayers: molecular dynamics simulations. Abstract Text:

Jonathan N Sachs,Thomas B Woolf,

A set of all-atom molecular dynamics simulations have been performed to better understand critical phenomena regarding a Hofmeister series of anions and lipid bilayers. The simulations isolate the effect of anion size and show clear differences in the interactions with the dipolar phoshpatidylcholine headgroup. Cl- anions penetrate into the headgroup region of the bilayer, but the simulations confirm theories which predict that larger anions penetrate more deeply, into a more heterogeneous and hydrophobic molecular region. That anion size leads to such differences in partitioning in the bilayer provides atomic-level support to hypotheses inspired by several experimental studies. The ability of larger anions to bury deep within the bilayer is correlated with a less well-structured hydration shell, shedding of which upon penetration incurs a smaller penalty for the larger anions than for Cl-.

Understanding the Hofmeister effect in interactions between chaotropic anions and lipid bilayers: molecular dynamics simulations. Publishing Authors By Initials

JN Sachs,TB Woolf,

For similar phosphatidic acids: glycerophospholipids: phosphatidylcholines research abstracts see: phosphatidic acids: glycerophospholipids: phosphatidylcholines research

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Understanding the Hofmeister effect in interactions between chaotropic anions and lipid bilayers: molecular dynamics simulations. Journal Published:

PUBLICATION TYPE: Research Support, Non-U.S. Gov

Journal: Journal of the American Chemical Society

VOLUME: 125

Page Numbers: 8742-3

Journal Abbreviation: J. Am. Chem. Soc.

ISSN: 0002-7863

DAY: 23

MONTH: Jul

YEAR: 2003

Understanding the Hofmeister effect in interactions between chaotropic anions and lipid bilayers: molecular dynamics simulations. Information

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LANGUAGE: eng

NlmUniqueID: 7503056

Understanding the Hofmeister effect in interactions between chaotropic anions and lipid bilayers: molecular dynamics simulations. Keywords Mesh Terms:

KEYWORDS: Phosphatidylcholines

MESH TERMS: chemistry

Chemical & Substance for Abstract: Understanding the Hofmeister effect in interactions between chaotropic anions and lipid bilayers: molecular dynamics simulations. Information

Substance Name: 1-palmitoyl-2-oleoylphosphatidylcholine

Registry Number: 6753-55-5

Grant and Affiliation Information for Understanding the Hofmeister effect in interactions between chaotropic anions and lipid bilayers: molecular dynamics simulations.

AFFILIATION: Department of Biomedical Engineering, Johns Hopkins University, School of Medicine, 725 North Wolfe Street, Baltimore, Maryland 21205, USA.

Country: United States

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MEDLINETA: J Am Chem Soc

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