Comparative investigations of biopolymer hydration by physicochemical and modeling techniques

The comparative investigation of biopolymer hydration by physicochemical techniques, particularly by small-angle X-ray scattering, has shown that the values obtained differ over a wide range, depending on the nature of the polymer and the environmental conditions. In the case of simple proteins, a l...

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Bibliographic Details
Published in:Biophysical chemistry 2001-11, Vol.93 (2), p.141-157
Main Authors: Durchschlag, Helmut, Zipper, Peter
Format: Article
Language:English
Subjects:
Biopolymer hydration
Biopolymers - chemistry
Catalase
Computer simulation
Hydrodynamic modeling
Models, Chemical
Parameter prediction
Water - chemistry
X-Ray data
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Summary:The comparative investigation of biopolymer hydration by physicochemical techniques, particularly by small-angle X-ray scattering, has shown that the values obtained differ over a wide range, depending on the nature of the polymer and the environmental conditions. In the case of simple proteins, a large number of available data allow the derivation of a realistic average value for the hydration (0.35 g of water per gram of protein). As long as the average properties of proteins are considered, the use of such a default value is sufficient. Modeling approaches may be used advantageously, in order to differentiate between different assumptions and hydration contributions, and to correctly predict hydrodynamic properties of biopolymers on the basis of their three-dimensional structure. Problems of major concern are the positioning and the properties of the water molecules on the biopolymer surface. In this context, different approaches for calculating the molecular volume and surface of biopolymers have been applied, in addition to the development of appropriate hydration algorithms.
ISSN:0301-4622
1873-4200
DOI:10.1016/S0301-4622(01)00217-4