Abstract：
Characterization of chemical composition in cigarette smoke is essential for establishing smoke-related exposure estimates. Currently used methods require complex sample preparation with limited capability for obtaining accurate chemical information. We have developed an in situ solid-phase microextraction (SPME) method for online processing of smoke aerosols and directly coupling the SPME probes with confined-space direct analysis in real time (cDART) ion source for high-resolution mass spectrometry (MS) analysis. In a confined space, the substances from SPME probes can be efficiently desorbed and ionized using the DART ion source, and the diffusion and evaporation of volatile species into the open air can be largely avoided. Using SPME-cDART-MS, mainstream smoke (MSS) and side-stream smoke (SSS) can be investigated and the whole analytical protocol can be accomplished in a few min. More than five hundred substances and several classes of compounds were detected and identified. The relative contents of 13 tobacco alkaloids were compared between MSS and SSS. Multivariate data analysis unveiled differences between different types of cigarette smoke and also discovered the characteristic ions. The method is reliable with good reproducibility and repeatability, and has the potential to be quantitative. This study provides a simple and high-efficiency method for smokeomics profiling of complex aerosol samples with in situ online extraction of volatile samples, and direct integration of extracted probes with a modified ambient ionization technique.
摘要：
香烟烟雾中化学成分的表征对于建立与烟雾相关的暴露估计至关重要。目前使用的方法需要复杂的样品制备,其获得准确化学信息的能力有限。我们开发了一种原位固相微萃取（SPME）方法，用于在线处理烟雾气溶胶，并将SPME探针与密闭空间实时直接分析（cDART）离子源直接耦合，用于高分辨率质谱（MS）分析。在一个狭窄的空间里,来自SPME探针的物质可以使用DART离子源有效地解吸和电离，并且可以在很大程度上避免挥发性物质扩散和蒸发到露天空气中。使用SPME-cDART-MS，可以研究主流烟雾（MSS）和侧流烟雾（SSS），并且可以在几分钟内完成整个分析方案。检测并鉴定了五百多种物质和几类化合物。比较了MSS和SSS之间13种烟草生物碱的相对含量。多变量数据分析揭示了不同类型香烟烟雾之间的差异，并发现了特征离子。方法可靠,重现性好,重复性好,并且有可能是定量的。这项研究提供了一种简单高效的方法，用于原位在线提取挥发性样品的复杂气溶胶样品的烟雾组学分析，并将提取的探针与改进的环境电离技术直接集成。
