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Journal ArticleDOI

Solvent‐induced interactions: Hydrophobic and hydrophilic phenomena

A. Ben‐Naim
- 15 Jun 1989 - 
- Vol. 90, Iss: 12, pp 7412-7425
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TLDR
The solvent-induced interactions between two kinds of molecules (or groups) are examined from the point of view of the solvation free energies of a pair of interacting molecules as discussed by the authors, and it is argued that intramolecular hydrophilic interactions are probably more significant in biochemical processes than hydrophobic interactions.
Abstract
The solvent‐induced interactions between two kinds of molecules (or groups) are examined from the point of view of the solvation free energies of a pair of interacting molecules (or groups) The first interaction is that between two simple nonpolar solutes (or groups) in water and is known as the hydrophobic interaction Both theoretical as well as experimental evidence indicate that these interactions are quite weak The solvent‐induced interactions between two functional groups that can form hydrogen bonds, referred to as intramolecular hydrophilic interactions, are found to be much stronger than the corresponding hydrophobic interactions It is therefore argued that intramolecular hydrophilic interactions are probably more significant in biochemical processes than hydrophobic interactions

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Citations
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Multiphoton ionization studies of clusters of immiscible liquids. I. C6H6–(H2O)n, n=1,2

TL;DR: In this article, a two-photon ionization (R2PI) time-of-flight mass spectroscopy is used to record S0-S1 spectra of the neutral complexes C6H6-H2O, C6h6-D2O and C6 h6-HDO.
Journal ArticleDOI

Free energy, entropy, and internal energy of hydrophobic interactions: Computer simulations

TL;DR: In this article, the free energy, entropy, and internal energy of two methane molecules in water were investigated by molecular dynamics computer simulations of the hydrophobic interactions, and the calculated thermodynamic quantities for methane association were in good agreement with available experimental measurements.
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Molecular Dynamics Studies of the Hydration of α,α-Trehalose

TL;DR: In this article, the anisotropic structuring of water around the trehalose molecule was calculated in a Cartesian coordinate frame fixed with respect to the sugar molecule by averaging water positions over the trajectories.
Journal ArticleDOI

Hydrophobe Effekte – Ansichten und Tatsachen

TL;DR: In this article, a ubersicht beschreibt einige neue Erkenntnisse aus den letzten zehn Jahren, e.g., Enzym-Substrat-Wechselwirkungen, the Anordnung von Lipiden in biologischen Membranen, Aggregation oberflachenaktiver Stoffe and kinetische Solvenseffekte in wasserreichen Losungsmittelsystemen.
Journal ArticleDOI

Ab initio study of the potential energy surface of CH4‐H2O

TL;DR: In this article, the potential energy surface of CH4-H2O is calculated through the fourth-order Mo/ller-Plesset perturbation theory, where the extended basis sets are augmented by bond functions which simulate the effects of high-symmetry polarization functions.
References
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Book ChapterDOI

Some factors in the interpretation of protein denaturation.

TL;DR: The chapter reviews that the denaturation is a process in which the spatial arrangement of the polypeptide chains within the molecule is changed from that typical of the native protein to a more disordered arrangement.
Book

The Structure and Properties of Water

TL;DR: The Water Molecule 2 The Real Vapour 3. Ice 4. Properties of Liquid Water 5. Models for Liquid Water Addendum as mentioned in this paper, which is an extension of the model presented in this paper.
Journal ArticleDOI

Statistical Mechanics of Rigid Spheres

TL;DR: In this article, an equilibrium theory of rigid sphere fluids is developed based on the properties of a new distribution function G(r) which measures the density of rigid spheres molecules in contact with a rigid sphere solute of arbitrary size.
Journal ArticleDOI

Theory of the hydrophobic effect

TL;DR: In this article, a microscopic theory is developed which can describe many of the structural and thermodynamic properties of infinitely dilute solutions of apolar solutes in liquid water, based on an integral equation for the pair correlation functions associated with spherical apolar species dissolved in water.
Book

Water and aqueous solutions

TL;DR: In this article, the theory of liquid water and simple aqueous solutions is discussed and more complex systems such as proteins in water will be further discussed in the next chapter, where the authors present some aspects of the theory.
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