A Swiss army knife for aerosol composition - a community Chemical Ionisation Mass Spectrometry facility

资本资产是下一代社区测量大气成分的能力，可用于解决NERC研究和创新主题范围内的关键科学和政策相关问题。分子化合物鉴定是理解许多环境过程的核心。高性能质谱技术发展迅速，但由于采集样品的时间分辨率差，离线方法无法捕获动态过程。许多当前的环境挑战需要高时间分辨率的快速分子检测和识别，以了解高度动态的过程。最近的进展使这成为可能。前几代仪器价格昂贵，使用复杂，因此只有少数具有技术能力和基础设施的团体才能使用。此外，电离方案通常被设计用于检测某些类型的化合物，并且可能需要多种仪器。这是昂贵的，超出了许多研究小组的能力。我们提出了一种在单一仪器中以高灵敏度和特异性快速检测和识别颗粒和气相中各种分子的设施，该设施可应用于社会迫切需要的各种大气和环境问题。该资产包括一台化学电离质谱仪，该质谱仪具有一套新颖的可互换入口，能够对颗粒和气体中的分子进行采样在单个高分辨率仪器中，同时运行多个电离源（不需要放射源，这是常见的情况）。将与以调查人员为代表的广泛用户群体共同设计一套定制的数据收集和分析软件，为目标应用程序的一系列标准作业程序提供服务，从而实现资产的交钥匙操作。这种易用性是将资产作为社区资源提供的关键。它将使伙伴机构能够在没有当前一代仪器运行资源的情况下进行部署，从而拥有更广泛的用户基础，将为此开发一个使用模式（包括用于更先进的操作和输送的模型）。通过提供用于痕量颗粒和气体表征的多用途集成和易于使用的设施，我们将能够迅速应对与向净零过渡相关的挑战，深入了解快速变化的气候、相关的生态系统响应以及人类活动产生的一系列压力所带来的大气挑战。该资产将提供的环境应用包括：室内和室外空气质量对健康的影响：i）空气污染源的毒理学危害排名，ii）与室内和室外污染不同暴露相关的健康不平等大气化学转化：i）一次和二次气溶胶老化，ii）二次有机和无机气溶胶和前体的形成和转化，iii）新型痕量气体化学的影响地面-大气交换：i）陆地生物和人为PM和气体排放源的量化（例如氨、POA），ii）海洋大气过程的量化。i）在调节多营养相互作用和植物竞争中的作用，ii）促进作物或邻近“屏障”植物的防御性VOC产生。i）根际相互作用的生态进化意义，ii）土壤中微生物活动和有机物分解对VOC排放的控制，iii）将废弃CO2转化为有用产品的新途径，通过VOCs作为标记物进行跟踪。NERC和UKRI通过我们领先研究人员的研究团队的资金组合以及所有NERC R&I主题在每个领域都进行了大量投资。

The capital asset is a next-generation community capability to measure atmospheric composition that can be used to address critical science and policy-related problems across the NERC Research and Innovation theme remits. Molecular compound identification is central to understanding many environmental processes. Advances in high performance mass spectrometry have developed rapidly but offline methods cannot capture dynamic processes owing to poor time resolution of the collected sample. Many current environmental challenges require rapid molecular detection and identification at high time resolution to understand highly dynamic processes. Recent advances now make this possible. Previous generations of instrument are expensive and complex to use, so they are only accessible to a few groups with the technological capability and infrastructure to support them. Further, ionisation schemes are often designed for detection of certain types of compounds and multiple instruments may be needed. This is costly and beyond the capabilities of many research groups. We propose a facility to deliver rapid detection and identification of a wide range of molecules with high sensitivity and specificity in both particle and gas phases in a single instrument and that can be applied to a wide range of atmospheric and environmental problems of pressing societal need.The asset comprises a chemical ionisation mass spectrometer with a novel suite of interchangeable inlets and able to sample molecules in particles and gases into a single high resolution instrument, simultaneously running multiple ionisation sources (none requiring a radioactive source, as is commonly the case). Co-designed with a broad user community represented by the investigators, a bespoke data collection and analysis software suite will be developed to service a range of standard operating procedures for target applications, enabling turnkey operation of the asset. This ease-of-use is key to the provision of the asset as a community resource. It will enable deployment at partner institutions without the resource for operation of the current generation of instruments and hence a much broader user base, for which a usage model will be developed (including a model for more advanced operation and delivery).By providing a multi-use integrated and easy to use facility for trace particle and gas characterisation, we will be able to rapidly rise to challenges associated with transition to Net Zero, to provide deep understanding of atmospheric challenges in the face of rapidly changing climate, the associated ecosystem responses, and a range of pressures arising from human activities. Environmental applications that the asset will make accessible include:Impacts of indoor and outdoor air quality on health: i) toxicological hazard ranking of air pollution sources, ii) health inequalities associated with differential exposure to indoor and outdoor pollutionAtmospheric chemical transformations: i) primary and secondary aerosol ageing, ii) formation and transformation of secondary organic and inorganic aerosols and precursors, iii) impacts of novel trace gas chemistrySurface - atmosphere exchange: i) quantification of terrestrial biogenic and anthropogenic PM and gas emission sources (e.g. ammonia, POA), ii) quantification of marine atmospheric processesPlant VOC production: i) roles in regulating multitrophic interaction and plant competition, ii) promoting defensive VOC production by crop plants or neighbouring 'barrier' plantsSubsurface VOC modulation: i) eco-evolutionary implications of interactions in the rhizosphere, ii) VOC emission control by microbial activity and organic matter decomposition in soil, iii) novel pathways to convert waste CO2 to useful products tracked by VOCs as markers..NERC and UKRI have made considerable investment in each area through the funding portfolio of our investigator team of leading researchers and across all NERC R&I themes.