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 |
| Publication status | Published - 1998 |
| Externally published | Yes |
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Keywords
- Biomolecules
- Hydrophillic interaction
- Potential of mean force
- RISM integral equation
- Solvent-induced interaction
- Water
ASJC Scopus subject areas
- Fluid Flow and Transfer Processes
- Physical and Theoretical Chemistry
Cite this
Study of hydrophillic interactions between polyatomic sheets in water. / Koga, Kenichiro; Zeng, X. C.; Tanaka, Hideki.
In: Fluid Phase Equilibria, Vol. 144, No. 1-2, 1998, p. 377-385.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Study of hydrophillic interactions between polyatomic sheets in water
AU - Koga, Kenichiro
AU - Zeng, X. C.
AU - Tanaka, Hideki
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
UR - http://www.scopus.com/inward/record.url?scp=0031994239&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0031994239&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0031994239
VL - 144
SP - 377
EP - 385
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
SN - 0378-3812
IS - 1-2
ER -