Fate and Distribution of Trace Organics Using On-line Mass Spectrometry

使用在线质谱分析痕量有机物的归宿和分布

• 批准号: RGPIN-2016-06454
• 负责人: Krogh, Erik
• 金额: $ 2.19万
• 依托单位: Vancouver Island University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2018
• 资助国家: 加拿大
• 起止时间: 2018-01-01 至 2019-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=656031
• 关键词: Fate; Distribution; Trace; Organics; Using

*This research program is centred on the novel application of emerging mass spectrometry (MS) techniques to address important questions in environmental chemistry. MS discriminates between molecules based on their mass-to-charge ratio and is a powerful analytical technique with inherent sensitivity and selectivity advantages. When techniques designed to follow unique mass fragmentation pathways are employed, MS instruments have even greater molecular resolving power. When a semi-permeable membrane is used as an interface between the sample and the mass spectrometer, it allows the concentration of analytes to be continuously monitored. Until recently, membrane introduction MS has been limited to relatively volatile organic compounds. Coupling membrane inlets employing a solvent acceptor phase to atmospheric pressure ionization has extended the technique to a wide range of biologically and environmentally relevant compounds. This proposal describes the use of MS to directly measure molecular determinants of environmental and human health. In addition to foundational contributions to the field of environmental chemistry the research described here has broader application in contaminant fate modeling, environmental engineering, and eco-toxicology.****Real-time MS techniques provide unique opportunities for the investigation of mass transport phenomena, the direct observation of changes in chemical concentration in dynamic systems, and the ability to map chemical information over geographic scales during mobile operations. The time-resolved MS signals generated as analytes permeate through a membrane, provide a direct probe of intrinsic molecular and material properties. This will be used to predict environmentally relevant distribution coefficients and to characterize the permeability of new materials. Furthermore, since membrane introduction MS measures the ‘free' chemical concentration in solution, it can employed for the direct observation of partitioning and binding behaviour. The use of in-situ reaction monitoring strategies will be utilized to provide kinetic information for physical and chemical processes at environmentally relevant conditions (trace concentrations, multiple components, heterogeneous). When operated continuously on a mobile platform, mass spectrometers provide chemical information with unprecedented data density that is resolved in both time and space. In addition to geographically referenced concentrations, which can be used for regional scale emission inventories and exposure studies, this proposal describes the use of chemometrics to provide compositional information from non-targeted full scan mass spectra. This work contributes directly to the study of fate, distribution, and transport of trace contaminants in the environment and has implications to risk assessment, source apportionment and emergency response.**** **

*该研究计划的重点是新兴质谱法（MS）技术在环境化学中解决重要问题的新应用。 MS根据分子的质量比率区分分子，是一种具有继承灵敏度和选择性优势的强大分析技术。当采用旨在遵循独特质量碎片途径的技术时，MS仪器具有更大的分子分辨能力。当将半渗透膜用作样品和质谱仪之间的接口时，它允许连续监测分析物的浓度。直到最近，膜引入MS一直仅限于相对挥发性的有机化合物。耦合膜插入使用溶剂受体阶段到大气压力电离的嵌入，将技术扩展到了广泛的生物学和环境相关的化合物。该建议描述了MS直接测量环境和人类健康的分子决定剂的使用。除了对环境化学领域的基本贡献外，此处描述的研究在污染物建模，环境工程和生态毒理学中都有更广泛的应用。作为分析物通过膜渗透而产生的时间分辨的MS信号提供了直接的固有分子和材料特性的探针。这将用于预测与环境相关的分布系数，并表征新材料的渗透性。此外，由于膜引入MS测量了溶液中的“游离”化学浓度，因此可以直接观察分区和结合行为。使用原位反应监测策略将用于在环境相关条件下（痕量浓度，多个组件，异质）为物理和化学过程提供动力学信息。当在移动平台上连续运行时，质谱仪提供了具有前所未有的数据密度的化学信息，这些信息在时间和空间中都可以解决。除了可用于区域尺度排放清单和暴露研究的地理参考浓度外，该建议还描述了化学计量学用于提供非靶向完整扫描质谱的复合信息。这项工作直接促进了对环境中痕量污染物的命运，分配和运输的研究，并对风险评估，来源分配和紧急响应具有影响。**** ** **