碩士 / 中華科技大學 / 健康科技研究所在職專班 / 100 / It is widely known that excessive UV-A and UV-B rays cause sunburn and skin cancer, but fewer people realize they also cause sunburned eyes. UV-related eye problems, such as the formation of cataracts, can cause serious visual impairment. As cataracts progress, they can lead to blurred vision, sensitivity to light and glare, increased nearsightedness, or distorted images in either eye. Molecular modeling allow scientists to produce and create molecular data including geometries (bond lengths, bond angles, torsion angles), energies (heat of formation, activation energy, etc.), electronic properties (moments, charges, ionization potential,highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO)) and spectroscopic properties (UV, IR, NMR spectrum), etc. In this study, we simulated the UV spectroscopic property of Calophyllum inophyllum B by way of molecular modeling in order to confirm it as a potential UV filter for ophthalmic formulation. The studies shows the structures of Inophyllum B, C, and E after the geometry optimization of starting molecule possess the aromatic ring and extended conjugated double bonds which may contribute the strong UV spectroscopic properties both in broaden wavelength and absorption intensity. The low energy gap between HOMO and LUMO of Inophyllum B, C, and E molecules let the molecules easily jump from ground state to excited state when molecules expose under sun UV. These phenomenons make Inophyllum B, C, and E as good UV filter and can develop them as natural UV protection agent.
| Identifer | oai:union.ndltd.org:TW/100CHIT1743009 |
| Date | January 2012 |
| Creators | Lin Yen Liang, 林彥良 |
| Contributors | 徐令儀 |
| Source Sets | National Digital Library of Theses and Dissertations in Taiwan |
| Language | zh-TW |
| Detected Language | English |
| Type | 學位論文 ; thesis |
| Format | 48 |
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