PHOTOCHEMISTRY AND PHOTOPHYSICS OF ESTROGENS

雌激素的光化学和光物理学

• 批准号: 8168300
• 负责人: Patrick Michael Hare
• 金额: $ 0.89万
• 依托单位: UNIVERSITY OF LOUISVILLE
• 依托单位国家: 美国
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-05-01 至 2011-04-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8168300
• 关键词: Affect; Computer Retrieval of Information on Scientific Projects Database; Computer Simulation; Endocrine Disruptors; Environment; Estrogens; Excision; Funding; Goals; Grant; Institution; Lead; Modeling; Photochemistry; Population; Property; Research; Research Personnel; Resources; Solvents; Source; Spectrum Analysis; Stream; Structure; Surface; Time; United States National Institutes of Health; Water; computational chemistry; infrared spectroscopy; wasting

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. 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.

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 拟议的研究的总体目标是确定天然雌激素的光降解机制和溶剂环境对光降解的影响。稳态和时间分辨光谱学和计算化学将被用来阐明雌激素的光化学和潜在的光物理学。天然雌激素是地表沃茨中的强效内分泌干扰物，已知其可自然光降解，但其机制知之甚少。了解它们如何在环境中光降解也可能导致更好的去除废物流中的雌激素的策略。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。这些激发态的时间依赖性的人口，然后将确定时间分辨光谱，从计算的激发态性质的指导。最后，将进行光降解的溶剂和波长依赖性，通过红外光谱和可能的产品结构的计算建模指导产品分配。确定溶剂和激发波长如何影响人口的雌激素激发态，导致光化学将允许更好地模拟表面沃茨中的光降解，并可能导致更有效的去除策略的雌激素在城市废物流。