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
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
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DOI：
10.1021/acs.analchem.0c01926
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发表时间：
2020-07-21
影响因子：
7.4
通讯作者：
Perrault, Katelynn A.
中科院分区：
文献类型：
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作者：
Dubois, Lena M.;Aczon, Stephanie;Perrault, Katelynn A.
自20世纪90年代初问世以来，全二维气相色谱（GCxGC）已从分离科学研究工具发展成为许多行业的核心组成部分。尽管该技术已经成熟，但一些领域仍然不愿意将其用于常规应用。在法医科学的情况下，一些限制是在法医实验室执行的严格要求和实验室内方法验证必须投入的时间和精力。还可能出现的问题是，在过渡到新技术时，信息是否会丢失。本研究报告了从传统的一维（1D）GC到GCxGC的方法转换，确保了转换时数据的完整性。GC改装有反向填充/冲洗（RFF）流量调节器，并配备有使用四极杆质谱仪（qMS）和火焰离子化检测器（FID）的双通道检测器。平行使用两个检测器，其中qMS用于定性鉴定和FID用于定量，允许更高的流量和略宽的峰被利用用于分析挥发性有机化合物（VOC）参考混合物相关的法医VOC分析。使用GC-qMS和GCxGC-qMS/FID的峰质量评估和校准曲线记录了原始方法的转移和调整，而不会损失数据质量。此外，预处理和数据分析处理的步骤，包括校准和峰质量评估的三个数据集，详细说明。这些信息为希望在常规工作流程中实施GCxGC方法的常规实验室提供了基准数据。
After its introduction in the early 1990s, comprehensive two-dimensional gas chromatography (GCxGC) has evolved from a separation science research tool to the central component of many industries. Despite the maturity of the technique, some fields remain reluctant to its use in routine applications. In the case of forensic science, some constraints are the strict requirements enforced in forensic laboratories and the time and effort that must be invested for intralaboratory method validation. Concerns may also arise about whether information could be lost when transitioning to a new technique. This study reports on a method translation from conventional one-dimensional (1D) GC to GCxGC, ensuring the integrity of data as conversion is made. The GC was retrofitted with a reverse fill/flush (RFF) flow modulator and equipped with dual-channel detection using a quadrupole mass spectrometer (qMS) and a flame ionization detector (FID). The parallel use of two detectors, where qMS was applied for qualitative identification and FID for quantification, allowed higher flows and slightly wider peaks to be exploited for the analysis of a volatile organic compound (VOC) reference mixture relevant to forensic VOC profiling. Peak quality assessment and calibration curves using GC-qMS and GCxGC-qMS/FID document the transfer and adaptation of the original method without a loss in data quality. Furthermore, the preprocessing and the data analysis processing steps, including calibration and peak quality assessment for each of the three data sets, are explained in detail. This information provides benchmark data for routine laboratories that want to implement a GCxGC approach into routine workflows.