CAREER: Leveraging flow modulation to transform volatile organic compound measurement

职业：利用流量调制来改变挥发性有机化合物的测量

基本信息

批准号：
1752607
负责人：
Katelynn Perrault Uptmor
金额：
$ 63.37万
依托单位：
Chaminade University of Honolulu
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2018
资助国家：
美国
起止时间：
2018-06-01 至 2023-10-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1752607&HistoricalAwards=false
关键词：
CAREER Leveraging flow modulation transform

项目摘要

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.

该项目由数学和物理科学局化学司和刺激竞争性研究既定计划（EPSCoR）共同资助。首席研究员是檀香山查米纳德大学的 Katelynn Perrault。她正在开发测量挥发性有机化合物 (VOC) 的分析方法，挥发性有机化合物是一类最常与气味分析相关的化学物质。允许两种独立分离方法的综合技术用于分析挥发物混合物。此外，还定义了统计程序，以验证在给定不同级别的样品复杂性的情况下标记化合物的准确选择。这些方法可能会改善未来在法医学、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，佩罗博士为纠正夏威夷原住民和太平洋岛民 (NHPI) 以及其他服务不足的少数群体的教育和职业机会不平等做出了贡献。该项目的重点是利用反向填充/冲洗(RFF) 流量调节器，结合全面的二维气相色谱-质谱 (GCxGC-MS) 作为改进复杂样品 VOC 表征的工具。复杂 VOC 基质的化学测量在分析上具有挑战性，因为它们由不同化学类别的多种化合物组成，浓度变化很大，并且基质特异性较低。本研究的具体目标包括开发使用调制改造将 VOC 方法从 GC-MS 仪器转换为 GCxGC-MS 仪器的程序。研究团队还通过模拟挑战研究了参考 VOC 集合的 GCxGC-MS 化学计量特征选择，并在表现出高样品间 VOC 变化的真实样品上展示了开发的方法。最后，该团队对非专家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。该程序为化学应用中使用带有 RFF 的 GCxGC-MS 进行 VOC 分布的化学测量提供了强有力的分析基础。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) 领域的职业准备和成长机会。这些项目包括本科生研究经验、基于课程的研究经验、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 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

期刊论文数量（5）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Translation of a One-Dimensional to a Comprehensive Two-Dimensional Gas Chromatography Method with Dual-Channel Detection for Volatile Organic Compound Measurement in Forensic Applications

将一维气相色谱方法转化为具有双通道检测的综合二维气相色谱方法，用于法医应用中挥发性有机化合物的测量

DOI：
10.1021/acs.analchem.0c01926
发表时间：
2020-06
期刊：
Analytical Chemistry
影响因子：
7.4
作者：
Dubois, Lena M.;Aczon, Stephanie;Focant, Jean;Perrault, Katelynn A.
通讯作者：
Perrault, Katelynn A.

A non-targeted data processing workflow for volatile organic compound data acquired using comprehensive two-dimensional gas chromatography with dual channel detection

使用具有双通道检测的综合二维气相色谱法采集挥发性有机化合物数据的非靶向数据处理工作流程

DOI：
10.1016/j.mex.2020.101009
发表时间：
2020-01
期刊：
MethodsX
影响因子：
1.9
作者：
Byrne, Julianne M.;Dubois, Lena M.;Baker, Jonathan D.;Focant, Jean;Perrault, Katelynn A.
通讯作者：
Perrault, Katelynn A.

Fisher ratio feature selection by manual peak area calculations on comprehensive two-dimensional gas chromatography data using standard mixtures with variable composition, storage, and interferences

使用具有可变成分、存储和干扰的标准混合物，通过对综合二维气相色谱数据进行手动峰面积计算来选择 Fisher 比特征