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Research Projects
Supported by HKU's High Performance Computing Facilities |
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Researcher: |
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Miss Wing-sum Chan, PhD student |
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| Project Title: |
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Time-Resolved Resonance Raman and Density Functional Theory Study
Investigation of the Intermediates and Mechanism of Benzoin Derivatives and
p-hydroxyphenacyl Esters Compounds |
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Project Description: |
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Phototrigger compounds are compounds that could release biochemical
substances under irradiation of UV light. They have quite a lot of
applications. For example, they could enable biochemists to control the
release of bioactive compounds in living tissue. My project is to use
time-resolved resonance Raman spectroscopy to directly investigate the
identity and structures of reaction intermediates in selected benzoin and p-hydroxyphenacyl
ester phototrigger compounds. Mechanisms for the photorelease reactions
could be better understood. Effect from different substituents and
environment would also be examined. |
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Project Duration: |
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4 years |
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Project
Significance: |
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Although there are already some investigations, for example laser flash
photolysis studies and kinetic measurement for the photorelease mechanisms
of the phototrigger compounds, only little give information about the
characterization of the electronic excited state and reaction intermediates
in room temperature solution at the vibrational mode-specific level. Our
research could provide the missing structural information for selected
benzoin and p-hydroxyphenacyl derivatives and their reaction intermediates. |
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Results
Achieved: |
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We expected to examine the key reaction intermediates and the reaction
mechanisms of more phototrigger compounds. |
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Remarks on the
Use of High Performance Computing Cluster: |
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HPC Cluster provide us a fast and convenient way to carry the Density Functional
Theory calculation for the examined phototrigger compounds. This helps to
give information of structure and bonding properties of key chemical
reaction intermediates and lead to an improved understanding of mechanisms
for photorelease in benzoin and p-hydroxyphenacyl ester compounds. |
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