PHOTOCHEMISTRY AND PHOTOPHYSICS OF ESTROGENS

雌激素的光化学和光物理学

• 批准号: 8360120
• 负责人: Patrick Michael Hare
• 金额: $ 3.32万
• 依托单位: UNIVERSITY OF LOUISVILLE
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-05-01 至 2012-04-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8360120
• 关键词: Affect; Biomedical Research; Computer Simulation; Endocrine Disruptors; Environment; Estrogens; Excision; Funding; Goals; Grant; Lead; Modeling; National Center for Research Resources; Photochemistry; Population; Principal Investigator; Property; Research; Research Infrastructure; Resources; Solvents; Source; Spectrum Analysis; Stream; Structure; Surface; Time; United States National Institutes of Health; Water; computational chemistry; cost; infrared spectroscopy; wasting

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. The overarching goal of the proposed research is to determine the mechanisms of photodegradation of the natural estrogens and the effect of solvent environment on that photodegradation. Steady-state and time resolved spectroscopy and computational chemistry will be used to elucidate the photochemistry and the underlying photophysics of the estrogens. Natural estrogens are potent endocrine disruptors in surface waters, and are known to photodegrade naturally, but the mechanisms are poorly understood. Understanding how they are photodegraded in the environment may also lead to better removal strategies for the estrogens in the waste stream. The effects of solvent on the excited states of estrogens will first be determined by steady-state spectroscopy and computational chemistry. The time-dependent population of these excited states will then be determined by time-resolved spectroscopy, with guidance from computation of the excited state properties. Finally, the solvent and wavelength depedence of the photodegradation will be carried out, with product assignments being guided by infrared spectroscopy and computational modeling of likely product structures. Determining how solvent and excitation wavelength affect the population of the estrogen excited states that lead to photochemistry will allow better modeling of photodegradation in surface waters and may lead to more efficient removal strategies for the estrogens in municipal waste streams.

该子项目是利用资源的众多研究子项目之一 由 NIH/NCRR 资助的中心拨款提供。子项目的主要支持 并且子项目的首席研究员可能是由其他来源提供的， 包括其他 NIH 来源。 子项目可能列出的总成本 代表子项目使用的中心基础设施的估计数量， NCRR 赠款不直接向子项目或子项目工作人员提供资金。 本研究的总体目标是确定天然雌激素的光降解机制以及溶剂环境对该光降解的影响。稳态和时间分辨光谱和计算化学将用于阐明雌激素的光化学和基础光物理学。天然雌激素是地表水中有效的内分泌干扰物，并且已知会自然光降解，但对其机制知之甚少。了解它们在环境中如何光降解也可能有助于制定更好的去除废物流中雌激素的策略。溶剂对雌激素激发态的影响将首先通过稳态光谱和计算化学来确定。然后，在激发态特性计算的指导下，通过时间分辨光谱法确定这些激发态的时间依赖性布居。最后，将进行光降解的溶剂和波长依赖性，并通过红外光谱和可能的产品结构的计算建模来指导产品分配。确定溶剂和激发波长如何影响导致光化学的雌激素激发态群体，将有助于更好地模拟地表水中的光降解，并可能导致更有效地去除城市废物流中雌激素的策略。