Study of hydrophillic interactions between polyatomic sheets in water

Kenichiro Koga; X. C. Zeng; Hideki Tanaka

doi:10.1016/s0378-3812(97)00282-3

Study of hydrophillic interactions between polyatomic sheets in water

Kenichiro Koga, X. C. Zeng, Hideki Tanaka

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

To further understanding hydrophillic interactions of complex biomolecules at the microscopic level, an idealized polyatomic model - a square polyatomic sheet - is devised, which consists of positive and negative charges on atoms. In the framework of the extended RISM integral equation theory, we calculate the solvent-induced interactions between pairs of the hydrophillic polyatomic sheets in water. We find the total hydrophillic interaction (mean force) between two sheets in water is directly against the intermolecular force between these two sheets in vacuum. A further analysis reveals that the solvent-induced interaction is mainly attributed to the sheets-solvent interaction energy.

Original language	English
Pages (from-to)	377-385
Number of pages	9
Journal	Fluid Phase Equilibria
Volume	144
Issue number	1-2
DOIs	https://doi.org/10.1016/s0378-3812(97)00282-3
Publication status	Published - 1998
Externally published	Yes

Keywords

Biomolecules
Hydrophillic interaction
Potential of mean force
RISM integral equation
Solvent-induced interaction
Water

ASJC Scopus subject areas

Chemical Engineering(all)
Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/s0378-3812(97)00282-3

Cite this

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title = "Study of hydrophillic interactions between polyatomic sheets in water",

abstract = "To further understanding hydrophillic interactions of complex biomolecules at the microscopic level, an idealized polyatomic model - a square polyatomic sheet - is devised, which consists of positive and negative charges on atoms. In the framework of the extended RISM integral equation theory, we calculate the solvent-induced interactions between pairs of the hydrophillic polyatomic sheets in water. We find the total hydrophillic interaction (mean force) between two sheets in water is directly against the intermolecular force between these two sheets in vacuum. A further analysis reveals that the solvent-induced interaction is mainly attributed to the sheets-solvent interaction energy.",

keywords = "Biomolecules, Hydrophillic interaction, Potential of mean force, RISM integral equation, Solvent-induced interaction, Water",

author = "Kenichiro Koga and Zeng, {X. C.} and Hideki Tanaka",

note = "Funding Information: XCZ thanks for the support by the NSF GOALI and ONR. Acknowledgment is also made to the donors of the Petroleum Research Fund administered by the American Chemical Society for partial support of this work. ",

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doi = "10.1016/s0378-3812(97)00282-3",

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T1 - Study of hydrophillic interactions between polyatomic sheets in water

AU - Koga, Kenichiro

AU - Zeng, X. C.

AU - Tanaka, Hideki

N1 - Funding Information: XCZ thanks for the support by the NSF GOALI and ONR. Acknowledgment is also made to the donors of the Petroleum Research Fund administered by the American Chemical Society for partial support of this work.

PY - 1998

Y1 - 1998

N2 - To further understanding hydrophillic interactions of complex biomolecules at the microscopic level, an idealized polyatomic model - a square polyatomic sheet - is devised, which consists of positive and negative charges on atoms. In the framework of the extended RISM integral equation theory, we calculate the solvent-induced interactions between pairs of the hydrophillic polyatomic sheets in water. We find the total hydrophillic interaction (mean force) between two sheets in water is directly against the intermolecular force between these two sheets in vacuum. A further analysis reveals that the solvent-induced interaction is mainly attributed to the sheets-solvent interaction energy.

AB - To further understanding hydrophillic interactions of complex biomolecules at the microscopic level, an idealized polyatomic model - a square polyatomic sheet - is devised, which consists of positive and negative charges on atoms. In the framework of the extended RISM integral equation theory, we calculate the solvent-induced interactions between pairs of the hydrophillic polyatomic sheets in water. We find the total hydrophillic interaction (mean force) between two sheets in water is directly against the intermolecular force between these two sheets in vacuum. A further analysis reveals that the solvent-induced interaction is mainly attributed to the sheets-solvent interaction energy.

KW - Biomolecules

KW - Hydrophillic interaction

KW - Potential of mean force

KW - RISM integral equation

KW - Solvent-induced interaction

KW - Water

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U2 - 10.1016/s0378-3812(97)00282-3

DO - 10.1016/s0378-3812(97)00282-3

M3 - Article

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SN - 0378-3812

VL - 144

SP - 377

EP - 385

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

IS - 1-2

ER -

Study of hydrophillic interactions between polyatomic sheets in water

Abstract

Keywords

ASJC Scopus subject areas

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