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Blind field test evaluation of Raman spectroscopy as a forensic tool.

机译:拉曼光谱作为法医工具的盲场测试评估。

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摘要

Analytical instrumentation for Raman spectroscopy has advanced rapidly in recent years to the point where commercial field-portable instruments are available. Raman analysis with portable instrumentation is a new capability that can provide emergency response teams with on-site evaluation of hazardous materials. Before Raman analysis is accepted and implemented in the field, realistic studies applied to unknown samples need to be performed to define the reliability of this technique. Studies described herein provide a rigorous blind field test that utilizes two instruments and two operators to analyze a matrix that consists of 58 unknown samples. Samples were searched against a custom hazardous materials reference library (Hazardous Material Response Unit (HMRU) Spectral Library Database). Experimental design included a number of intentionally difficult situations including binary solvent mixtures and a variety of compounds that yield medium-quality spectra that were not contained in the HMRU library. Results showed that over 97% of the samples were correctly identified with no occurrences of false positive identifications (compounds that were not in the library were never identified as library constituents). Statistical analysis indicated equivalent performance for both the operators and instruments. These results indicate a high level of performance that should extrapolate to actual field situations. Implementation of Raman techniques to emergency field situations should proceed with a corresponding level of confidence.
机译:近年来,用于拉曼光谱的分析仪器发展迅速,可以买到商用现场便携式仪器。便携式仪器的拉曼分析是一项新功能,可以为应急小组提供对危险物质的现场评估。在拉曼分析被接受并在现场实施之前,需要进行应用于未知样品的现实研究以定义该技术的可靠性。本文所述的研究提供了一种严格的盲场测试,该测试利用两种仪器和两名操作员来分析由58个未知样品组成的矩阵。根据定制的有害物质参考库(有害物质响应单位(HMRU)光谱库数据库)搜索样品。实验设计包括许多故意困难的情况,包括二元溶剂混合物和各种化合物,这些化合物产生的质量中等的光谱未包含在HMRU库中。结果表明,正确鉴定了97%以上的样品,没有出现假阳性鉴定(从未存在于文库中的化合物从未被鉴定为文库成分)。统计分析表明,操作员和仪器的性能均相同。这些结果表明应将高水平的性能推算出实际的现场情况。在应急现场情况下实施拉曼技术应以相应的置信度进行。

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