PHOTOCHEMISTRY AND PHOTOPHYSICS OF ESTROGENS

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 拟议研究的首要目标是确定天然雌激素的光降解机制以及溶剂环境对光降解的影响。稳态和时间分辨光谱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。天然雌激素是地表水中强有力的内分泌干扰物，已知可自然光降解，但其机制尚不清楚。了解它们是如何在环境中光降解的，也可能有助于更好地去除废流中的雌激素。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，在计算激发态性质的指导下，时间分辨光谱将确定这些激发态的依赖于时间的布居。最后，将进行光降解的溶剂和波长的确定，并通过红外光谱和可能的产物结构的计算模型来指导产物的指认。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的数量，将允许更好地模拟地表水中的光降解，并可能导致更有效的去除城市污水中雌激素的策略。

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.