Fundamental Studies of Antibiotics and Their Degradates in the Environment

在化学系分析和表面化学项目的支持下，布法罗大学的Diana Aga、Jochen Autschbach和Frank Bright教授正在开发稳定和高选择性的分子印迹干凝胶吸附剂，用于环境样品的净化和预浓缩分析。具有高选择性和高亲和力的脱硫剂的合成和选择是基于高通量的组合生产和筛选方法，并辅之以从头算和半经验量子化学计算。这项工作包括使用质谱学技术和14C标记示踪剂相结合的方法，对土壤中药物污染物残留的环境命运进行基础研究。这项研究的结果将提高准确识别和量化环境中未知抗生素降解的分析能力。这些研究的结果将为决策者提供信息，以准确评估并在必要时减轻水生和人类对其他药物污染物的暴露。此外，该项目将为研究生和本科生提供独特的研究经验，因为他们将接触到定量和定性分析、理论化学以及环境化学、政府法规和农业科学等各个方面的问题。

With support from the Analytical and Surface Chemistry Program in the Chemistry Division, Professors Diana Aga, Jochen Autschbach, and Frank Bright of the University at Buffalo are developing stable and highly selective molecularly imprinted xerogel sorbents for clean-up and pre-concentration of environmental samples for analysis. Synthesis and selection of sorbents with high selectivity and affinity is based on a high-throughput combinatorial production and screening approach, augmented by ab-initio and semiempirical quantum chemical computations. The work includes fundamental studies of the environmental fate of residues of pharmaceutical contaminants in soil using a combination of mass spectrometric techniques and 14C-labeled tracers. Results from this research will improve analytical capabilities for accurately identifying and quantifying unknown antibiotic degradates in the environment. Results from these studies will provide decision makers with information to accurately assess and, if necessary, mitigate aquatic and human exposure to other pharmaceutical contaminants. Further, this project will provide unique research experiences to graduate and undergraduate students because they will be exposed to various aspects of quantitative and qualitative analysis, theoretical chemistry, and issues in environmental chemistry, government regulations, and agricultural sciences.