Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations
Master Thesis
2010
Permanent link to this Item
Authors
Supervisors
Journal Title
Link to Journal
Journal ISSN
Volume Title
Publisher
Publisher
University of Cape Town
Department
Faculty
License
Series
Abstract
The major part of this thesis focuses on investigating dynamic hydration behaviour of a series of hexacycylic molecules in water, by using computational techniques validated through ultrasound interferometry experiments. The water taking part to the diffusive motion of the solutes has been characterised by performing mainly time-dependent functions (which allows to simulate hydration numbers) and ring puckering analysis, to understand the conformational features and the role of the functional groups on the flexibility of the solutes.
Description
Includes abstract.
Includes bibliographical references.
Keywords
Reference:
Boscaino, A. 2010. Resolving the hydration of hexacyclic systems using ultrasonic interferometry and computer simulations. University of Cape Town.