The Effect of Organic Solutes on Water Structure

Bonner, O. D.; Arisman, Ruth K.; Jumper, Charles F.

doi:10.1515/zpch-1977-25810

Cited by 3 publications

(1 citation statement)

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“…More promising appears to be the differential measurement of absorption at the near infrared combination or overtone water bands at 0.96 and 1.14 p. The latter is due to the combination band vI + v2 +v3, that can be resolved into three Gaussians corresponding to the donation of hydrogen bonds from a water molecule to one base molecule, to two identical base molecules, and to two different base molecules. 39 The interactions in water-(deuterated) acetonitrile and water-propylene carbonate mixtures were found to be weaker than the water-water interactions in pure water; consequently the water in these mixtures appears to be 'free'. On the other hand, the interactions in water-dimethylsulphoxide and water-N,N-dimethylformamide mixtures are stronger than those in pure water indicate that the water in them is 'bound'.39 The 0 .…”

Section: Free and Bound Watermentioning

confidence: 99%

Water binding by organic molecules

Marcus

1995

Cell Biochemistry & Function

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Life as we know it, having started in a marine environment, is strongly dependent on water. Water, in turn, is a very reactive substance, and even when no net chemical reactions take place, it tends to interact with most substances by solvating them. The solvation can be very strong, as is the case with highly charged cations, where, for example, the hydration Gibbs free energy is very negative: -6800kJmol-' for Zr4+ ions.' It can be rather weak, as is the case for nonpolar organic molecules, where the group interaction Gibbs free energy CH2/water is only 2.7 kJ mol-' .2 In the first case, strong coordination bonds are formed by the oxygen electron-pair-donor atoms of several water molecules and the positively charged ion. In the second case weak van-der-Waals interactions take place between the not very polarizable CH2 and H 2 0 moieties. This attractive interaction cannot overcome the intermolecular water/water attractions, which accounts for the positive (unfavourable) value. For polar organic molecules, however, the main form of interaction is the formation of hydrogen bonds between one or more water molecules and the organic one. Water molecules can both donate and accept hydrogen bonds, not only to and from organic molecules but also to and from other water molecules. This gives rise to the well known three-dimensional network of liquid water.3 Solutes in liquid water must compete with water molecules for the formation of hydrogen bonds. Therefore the binding of water to organic molecules is a complicated phenomenon, unless both the organic molecule and the water molecule are in very dilute solution in some inert (nonpolar) solvent. In order to understand this binding it is necessary to determine first how much total water is available for this binding, then how much of this water is bound and how much is free, and lastly the mode of the binding of the water. This review deals with these three problems.

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Section: Free and Bound Watermentioning

confidence: 99%

Water binding by organic molecules

Marcus

1995

Cell Biochemistry & Function

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Effect of dimethylsulfoxide on the kinetics and thermodynamics of asymmetric phospholipid fluxes between magnetic and non-magnetic vesicles

Cuyper

Joniau

Trends in Colloid and Interface Science V

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Effect of Water on Solvation Structure and Dynamics of Ions in the Peptide Bond Environment: Importance of Hydrogen Bonding and Dynamics of the Solvents

Pattanayak

Chowdhuri

2011

J. Phys. Chem. B

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The solvation structure and dynamics of ions in aqueous N-methylacetamide (NMA) solutions are calculated using classical molecular dynamics simulations. Our results are analyzed in terms of varying composition ranging from pure NMA to pure water. We also examined the effect of varying water content on the structure and dynamics of a neutral solute. Altogether we have simulated 38 different systems in the present work. It is found that water molecules have preference over NMA for the ions irrespective of their charge and size, whereas the neutral solute is preferably solvated by methyl groups of NMA. The calculated self-diffusion coefficient values show comparatively slower dynamics for ions than the neutral solute which can be attributed to the stronger solvation of ions in aqueous NMA mixtures. Various dynamical properties associated with translational and rotational motion of solvents are also calculated, and similar slower dynamics of solvents is observed which can be attributed to the enhanced stability of the hydrogen bonds and formation of interspecies complexes in the mixtures.

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The Effect of Organic Solutes on Water Structure

Cited by 3 publications

References 0 publications

Water binding by organic molecules

Water binding by organic molecules

Effect of dimethylsulfoxide on the kinetics and thermodynamics of asymmetric phospholipid fluxes between magnetic and non-magnetic vesicles

Effect of Water on Solvation Structure and Dynamics of Ions in the Peptide Bond Environment: Importance of Hydrogen Bonding and Dynamics of the Solvents

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