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Calibration and performance of synchronous SIM/scan mode for simultaneous targeted and discovery (non-targeted) analysis of exhaled breath samples from firefighters

机译：同步SIM /扫描模式的校准和性能可同时针对目标和发现（非目标）分析消防员的呼气样本

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Traditionally, gas chromatography – mass spectrometry (GC/MS) analysis has used a targeted approach called selected ion monitoring (SIM) to quantify specific compounds that may have adverse health effects. Due to method limitations and the constraints of preparing duplicate samples, the information that could be obtained from separately collecting the full scan chromatogram of the sample has often been sacrificed. However, a hybrid technique called synchronous SIM/scan mode that switches back and forth between the two acquisition methods has become available from equipment manufacturers that maintains the accuracy and sensitivity of SIM for targeted analysis while also providing the full scan chromatogram for discovery of non-target compounds. We have explored the value and performance of this new technology using calibration data and real-world breath samples from a joint EPA/NIOSH collaboration that assessed the safety of firefighters’ protective gear during controlled structural burns. Collecting field samples is costly and must be performed strategically to ensure that time points and replicates are accurate and representative of the intended population. This is especially difficult, if not impossible, to accomplish with firefighters who are working under volatile conditions. The synchronous SIM/scan method decreases the number of field samples that need to be collected by half and reduces error in trying to recreate time points since a breath sample from a single sorbent tube can be used to collect both the SIM and scan data simultaneously. This work demonstrates the performance of the technology using calibration data. As a practical demonstration of the method, we investigate thirty-six firefighter breath samples, document organic compounds of interest, and identify additional non-target compounds.
机译：传统上，气相色谱-质谱分析（GC / MS）使用一种称为选择性离子监测（SIM）的目标方法来量化可能对健康产生不利影响的特定化合物。由于方法的局限性和制备重复样品的限制，通常会牺牲从单独收集样品的全扫描色谱图获得的信息。但是，设备制造商可以使用一种在两种采集方法之间来回切换的称为同步SIM /扫描模式的混合技术，该技术可以保持SIM的准确性和敏感性，以进行目标分析，同时还提供完整的扫描色谱图，以发现非色谱图。目标化合物。我们使用EPA / NIOSH联合合作伙伴提供的校准数据和真实呼吸样本，探索了这项新技术的价值和性能，评估了消防员在受控结构性烧伤中的防护装备的安全性。采集野外样品的成本很高，必须进行战略性的处理，以确保时间点和重复样品的准确性和代表性。如果要在动荡的条件下工作的消防员来完成这项工作，即使不是不可能，也特别困难。同步SIM /扫描方法将需要收集的现场样本数量减少了一半，并减少了尝试重建时间点的错误，因为来自单个吸附剂管的呼气样本可用于同时收集SIM和扫描数据。这项工作使用校准数据演示了该技术的性能。作为该方法的实践证明，我们调查了36个消防员的呼吸样本，记录了感兴趣的有机化合物，并确定了其他非目标化合物。

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