CAREER: Leveraging flow modulation to transform volatile organic compound measurement

该项目由数学和物理科学理事会化学司和促进竞争性研究的既定计划（EPSCoR）共同资助。首席研究员是檀香山查米纳德大学的凯特琳·佩罗特。她正在开发测量挥发性有机化合物（VOCs）的分析方法，这是一类最常与气味分析相关的化学物质。一种允许两种独立分离方法的综合技术被用于分析挥发物混合物。此外，还定义了统计程序，以验证给定不同水平的样品复杂性的标记化合物的准确选择。这些方法可以提高未来在法医科学、国防和其他自然科学应用中对挥发性有机化合物的研究。通过将这项研究与教学实践和社区外展相结合，佩罗特博士为夏威夷原住民和太平洋岛民（nhpi）以及其他服务不足的少数民族解决教育和职业机会差距做出了贡献。该项目的重点是利用具有综合二维气相色谱-质谱（GCxGC-MS）的反向填充/冲洗（RFF）流量调节器作为改进复杂样品中VOC表征的工具。复杂VOC矩阵的化学测量在分析上具有挑战性，因为它们由来自不同化学类别的许多化合物组成，浓度变化很大，并且基质特异性较低。本研究的具体目的包括开发利用调制改造将VOC方法从GC-MS仪器转换为GCxGC-MS仪器的程序。研究小组还研究了GCxGC-MS化学计量特征选择的参考VOC收集模拟挑战，并展示了开发的方法在真实样品显示高样本间VOC变化。最后，该团队对非专业人员对多维色谱输出的解释进行了首次跨学科研究，以改善与更广泛的受众和利益相关者的数据交流。该程序为使用GCxGC-MS和RFF在化学应用中使用VOC剖面的化学测量提供了强大的分析基础。这项工作的教育目标是实施专业发展计划，促进学生进入科学，技术，工程和数学（STEM）劳动力的职业准备和成长机会。这些项目包括本科生研究经历、基于课程的研究经历、基于交流的定量学科课程开发、主动学习策略的实施，以及互动社区活动，以促进学生服务学习，同时增加夏威夷原住民和太平洋岛民对化学的参与。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

This project is jointly funded by the Division of Chemistry in the Directorate for Mathematical and Physical Sciences and the Established Program to Stimulate Competitive Research (EPSCoR). The principal investigator is Katelynn Perrault of Chaminade University of Honolulu. She is developing analytical approaches for measuring volatile organic compounds (VOCs), a class of chemicals most commonly associated with odor analysis. A comprehensive technique that permits two independent methods of separation is used to analyze mixtures of volatiles. In addition, statistical procedures are defined to verify the accurate selection of marker compounds given various levels of sample complexity. These approaches may improve future studies on VOCs in forensic science, defense, and other natural science applications. Through the integration of this research with teaching practices and community outreach, Dr. Perrault contributes to the redressing of educational and career access disparities for Native Hawaiian and Pacific Islanders (NHPIs) and other underserved minorities.The project focuses on leveraging a reverse fill/flush (RFF) flow modulator with comprehensive two-dimensional gas chromatography - mass spectrometry (GCxGC-MS) as a tool for improving VOC characterization from complex samples. Chemical measurement of complex VOC matrices is analytically challenging because they are comprised of numerous compounds from different chemical classes, are highly varied in concentration, and have low matrix specificity. The specific aims of this study include the development of procedures for VOC method translation from a GC-MS instrument to a GCxGC-MS instrument using modulation retrofitting. The research team also investigates GCxGC-MS chemometric feature selections on a reference VOC collection with simulated challenges and demonstrates the developed approach on real samples exhibiting high inter-sample VOC variation. Finally, the team conducts the first interdisciplinary study on interpretation of multidimensional chromatographic output by non-specialists to improve communication of data to broader audiences and stakeholders. This program provides a strong analytical basis for the chemical measurement of VOC profiles using GCxGC-MS with RFF to be used in chemical applications. The educational objective of this work is to implement professional development programs that promote career readiness and growth opportunities for students entering the Science, Technology, Engineering, and Mathematics (STEM) workforce. These programs include undergraduate research experiences, course-based research experiences, communication-based curriculum development in quantitative subjects, implementation of active learning strategies, and interactive community events to promote student service learning while increasing engagement of Native Hawaiians and Pacific Islanders in chemistry.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.