Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/29911
Title: A Computational Study of Chiral Separation of Tryptophan by using cyclodextrin
Authors: LIANG JIANCHAO
Keywords: chiral separation, cyclodextrin, molecular simulation, molecular recognition
Issue Date: 24-Jun-2009
Source: LIANG JIANCHAO (2009-06-24). A Computational Study of Chiral Separation of Tryptophan by using cyclodextrin. ScholarBank@NUS Repository.
Abstract: The role of chirality has become firmly established in the pharmaceutical industry because around 56% of the drugs currently in use are chiral compounds and about 88% of these chiral synthetic drugs are racemic mixtures. The two enantiomers of chiral drugs may possess different pharmacological activity, potency, and mode of action. Besides, the therapeutic inactive enantiomer sometimes shows unwanted effects, antagonistic function and even toxic effects; therefore, the development of pure enantiomer drugs is of immense importance. Our objective of this research is computational studies directed toward understanding chiral recognition mechanism so as to assist in the design of enhanced chiral selectors. Here, a molecular simulation study is presented for the chiral separation of L/D-tryptophan aqueous mixture by N2-cyclodextrin film. The mechanism responsible for the enantio-discrimination is explored at the molecular scale including the preferential binding and the intermolecular forces between the analyte molecule and N2-cyclodextrin.
URI: http://scholarbank.nus.edu.sg/handle/10635/29911
Appears in Collections:Master's Theses (Open)

Show full item record
Files in This Item:
File Description SizeFormatAccess SettingsVersion 
Amended Thesis.pdf1.57 MBAdobe PDF

OPEN

NoneView/Download

Page view(s)

253
checked on Dec 11, 2017

Download(s)

605
checked on Dec 11, 2017

Google ScholarTM

Check


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.