CAREER: Sorption and Biodegradation Processes for Removal of Pharmaceutical Compounds in Biological Systems

重点是工程生物反应器中药物化合物（PhACs）的生物降解和吸附。知识价值。这些研究结果有望成为了解PhACs在工程和自然系统中的命运所需的重要基础部分。使用FED模型来预测生物转化以前还没有做过，并且可能为更完整地理解转化途径提供所需的缺失的概念框架。所提出的吸附研究将建立PhAC吸附的基本热力学性质，并将充分揭示粒径与滞后之间的联系。预期的结果有可能做出基础科学贡献，同时也为水质专业人员的设计和操作策略提供直接联系。本研究采用量子化学和热力学的基本科学概念，实验任务采用现代分析技术和计算软件。四个关键的研究假设是：1)PhACs及其代谢物的生物氧化将发生在前沿电子密度（FED）最高的位置。FED可以作为预测生物介导的PhAC转化的组织原则。这些结果可能会影响对生物反应器、地表水和沉积物中PhAC质量运输的理解。2) PhAC吸附是由熵驱动、吸热和扩散控制的。建立PhAC吸附到活性污泥生物质的热力学基线将有助于以有意义的方式理解现有数据。3)随着粒径分布的增大，吸附滞后现象更加明显。结果可以对活性污泥粒径对吸附滞后的影响有一个基本的认识。4) PhACs或其代谢物位于较大的絮团颗粒内部更持久。当生物降解和吸附同时发生时，PhACs及其代谢物可能被困在活性污泥絮团颗粒内部，生物活性较低。教育和推广。综合教育和推广活动将丰富奥本大学的环境工程项目，通过与奥本大学贝尔南少数民族工程项目（BMEP）合作，提供新的课程元素，加强学习，促进工程多样性，并提高中学生的环境素养。新的课程元素包括使用合作学习策略和跨学科设计项目。BMEP活动教师指导，解决问题的实验室，并直接参与研究项目。我还建议在奥本大学中学生年度互动学习会议中加入一个1小时的环境学习模块，以提高年轻人的环境素养。更广泛的影响预计，在这个项目的成功完成将有助于把我的研究小组的成员接近中心的国际，跨学科的对话关于PhACs在环境中的扩散。我进一步期望奥本大学的课程将通过新的课程元素得到加强，工程方面的多样性将得到加强，当地中学生将变得更加环保。

Harper0546388The focus is biodegradation and sorption of pharmaceutical compounds (PhACs) in engineered bioreactors.Intellectual Merit. These research results are expected to be an important part of the foundation needed for understanding fate of PhACs in both engineered and natural systems. The use of FED modeling for predicting biological transformations has not been done before, and may provide the missing, conceptual framework needed for a more complete understanding of transformation pathways. The proposed sorption studies will establish the basic thermodynamic properties of PhAC sorption and will fully uncover the connection between particle size and hysteresis.The expected results have potential to make fundamental scientific contributions, while also making direct connections to design and operating strategies for water quality professionals. The research uses basic scientific concepts from quantum chemistry and thermodynamics, and the experimental tasks utilize modern analytical techniques and computational software. The four key research hypotheses are:1) The biological oxidation of PhACs and their metabolites will occur at the location where the frontier electron density (FED) is highest. FED may be established as an organizing principle for predicting biologically-mediated PhAC transformation. These results may impact the understanding of PhAC mass transport in bioreactors, surface waters, and sediments.2) PhAC sorption is entropy-driven, endothermic, and diffusion-controlled. Establishing the thermodynamic baseline for PhAC sorption to activated sludge biomass will help to understand available data in a meaningful way.3) Sorption hysteresis is more pronounced as the particle size distribution shifts toward larger sizes. The results could produce a fundamental understanding for how sorption hysteresis is affected by activated sludge particle size.4) PhACs or their metabolites located within the interior of larger floc particles are more persistent. When both biodegradation and sorption occur simultaneously, PhACs and their metabolites may become trapped within the interior of activated sludge floc particles, where biological activity is lower.Education and outreach. The integrated education and outreach activities will enrich the environmental engineering program at Auburn University with new course elements that enhance learning, promote diversity in engineering through collaboration with the Auburn University BellSouth Minority Engineering program (BMEP), and promote environmental literacy among middle school students. The new course elements include using the cooperative learning strategy and interdisciplinary design projects. BMEP activities faculty mentoring, problem-solving labs, and direct involvement in the research project. I also propose to promote environmental literacy in young people by incorporating a 1 hr environmental learning module in Auburn University annual interactive learning conference for middle school students. Broader Impacts are expected that at the successful completion of this project will help place the members of my research group near the center of the international, interdisciplinary dialogue concerning the proliferation of PhACs in the environment. I further expect that the curriculm at Auburn University will be strengthened through new course elements, diversity in engineering will be enhanced, and local middle school students will become more environmentally literate.