Document Type


Date of Degree

Summer 2011

Degree Name

PhD (Doctor of Philosophy)

Degree In


First Advisor

Claudio J. Margulis

First Committee Member

Christopher M Cheatum

Second Committee Member

Ernesto Fuentes

Third Committee Member

Amnon Kohen

Fourth Committee Member

Jan-Uwe Rohde


In this thesis, we report on our studies of water dynamics and structure in various biological environments which include: the surfaces of proteins and various oligosaccharides, the intervening space between proteins; and in the vicinity of cryoprotectant disaccharides in the liquid and ice phases. From a theoretical perspective, we propose methodology to compute diffusivity and residence times on the surface of biomolecules. In particular our proposed algorithm to compute residence times appears to be better in dealing with poor statistics associated with the number of water molecules that remain on a surfaces for extended times. The type of linkage between monomers and the anomeric configuration all play a major role in determining the structure and dynamics of water on the surface of carbohydrates.


carbohydrate, cryoprotectant, diffusion, surface, water dynamics, water structure


xi, 98 pages


Includes bibliographical references (pages 87-98).


Copyright 2011 YING-HUA CHUNG

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Chemistry Commons