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UBC Theses and Dissertations
Determination of binding constants by computer simulation of affinity capillary electrophoresis Fang, Ning
Abstract
The aim of this work is to test and improve the mathematical models of affinity capillary electrophoresis (ACE), to implement these models by computer simulation, and to use the simulation programs to determine the medium- and high-affinity binding constants for protein-ligand interactions. The first part of this thesis presents the first mathematical model, the one-cell model, of ACE and the derivations of the equations for both 2:1 (analyte:additive) and 1:1 interactions. The steady state equations were also introduced due to their important roles in analyzing the simulated results. The second part of this thesis presents four simulation programs which were based on the one-cell model and used to simulate the ACE processes, to collect and analyze simulation data, and to estimate the binding constants for the protein-ligand interactions. In this work, we performed several series of experiments and used the simulation programs to determine the binding constants for the 2:1 interaction between flurbiprofen and transthyretin, and the binding constant for the 1:1 interaction between chlorpromazine and quaic riboflavin binding protein (qRfBP). The one-cell model is extremely fast in simulating ACE processes, but it cannot accurately describe the ACE experiments with high concentrations of analyte ([A]) and additive ([P]) or a high ratio of [A] to [P]. Thus, in the final part of this thesis, a new model and its improved implementation algorithm were proposed.
Item Metadata
Title |
Determination of binding constants by computer simulation of affinity capillary electrophoresis
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Creator | |
Publisher |
University of British Columbia
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Date Issued |
2002
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Description |
The aim of this work is to test and improve the mathematical models of affinity
capillary electrophoresis (ACE), to implement these models by computer simulation, and to
use the simulation programs to determine the medium- and high-affinity binding constants for
protein-ligand interactions. The first part of this thesis presents the first mathematical model,
the one-cell model, of ACE and the derivations of the equations for both 2:1
(analyte:additive) and 1:1 interactions. The steady state equations were also introduced due to
their important roles in analyzing the simulated results. The second part of this thesis presents
four simulation programs which were based on the one-cell model and used to simulate the
ACE processes, to collect and analyze simulation data, and to estimate the binding constants
for the protein-ligand interactions. In this work, we performed several series of experiments
and used the simulation programs to determine the binding constants for the 2:1 interaction
between flurbiprofen and transthyretin, and the binding constant for the 1:1 interaction
between chlorpromazine and quaic riboflavin binding protein (qRfBP). The one-cell model is
extremely fast in simulating ACE processes, but it cannot accurately describe the ACE
experiments with high concentrations of analyte ([A]) and additive ([P]) or a high ratio of [A]
to [P]. Thus, in the final part of this thesis, a new model and its improved implementation
algorithm were proposed.
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Extent |
7765548 bytes
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Genre | |
Type | |
File Format |
application/pdf
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Language |
eng
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Date Available |
2009-08-20
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Provider |
Vancouver : University of British Columbia Library
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Rights |
For non-commercial purposes only, such as research, private study and education. Additional conditions apply, see Terms of Use https://open.library.ubc.ca/terms_of_use.
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DOI |
10.14288/1.0059421
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URI | |
Degree | |
Program | |
Affiliation | |
Degree Grantor |
University of British Columbia
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Graduation Date |
2002-11
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Campus | |
Scholarly Level |
Graduate
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Aggregated Source Repository |
DSpace
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Item Media
Item Citations and Data
Rights
For non-commercial purposes only, such as research, private study and education. Additional conditions apply, see Terms of Use https://open.library.ubc.ca/terms_of_use.