Includes abstract.Includes bibliographical references.The major part of this focuses on investigating the anomalous solubility of β-cyclodextrin using time correlation functions as the main tool for analysis. The primary focus is on the conformational metrics which govern the internal motions of the three main, unmodified cyclodextrins (namely a, β and y). The conformational space and dynamics of the interglycosidic dihedral angles, individual glucose tilting and verticallibrations of each glucose unit is investigated. Also the hydrogen bonding across the glycosidic linkage is examined. We then investigate the solution properties of cyclodextrin solutions using both ultrasonic interferometry and molecular dynamics
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