突发事件中未知有机溶剂的拉曼光谱筛查策略
Research on Raman spectroscopy screening strategies for unknown organic solvents in emergencies
丁丹婷 1温忆敏1
作者信息
- 1. 上海市疾病预防控制中心化学品毒性检定所,上海 200336
- 折叠
摘要
目的 构建突发事件中未知有机溶剂的拉曼光谱筛查策略.方法 自建立拉曼光谱数据库,探讨其在突发应急检测有机溶剂筛查中的应用及关键控制阈值的设立.运用相似度(hit quality index,HQI)匹配、逆检索峰位匹配、混合物谱析等模式,测试并验证了 33种有机溶剂的拉曼光谱识别效果.结果 HQI匹配、逆检索峰位匹配模式适合识别纯有机溶剂,识别速度快(＜1 min),准确率高(＞96.7％).混合物谱析模式的识别准确率受不同组分特征峰的影响,拉曼响应相近的混合物组分识别效果良好.结论 建立拉曼光谱数据库并选择有效筛查策略,为实验室应对突发事件中未知有机溶剂的检测构建简单易行的光谱快速筛查平台,储备应急检测能力.
Abstract
Objective To construct a Raman spectroscopy screening strategy for unknown organic solvents in emergencies.Methods By establishing a Raman spectroscopy database,discuss its strategic approach and key control threshold setting in emergency detection of organic solvents.The recognition performance of 33 organic solvents was tested and validated using similarity(hit quality index,HQI)matching,reverse search peak position matching,mixture spectral analysis.Results Similarity(HQI)matching and reverse search peak position matching are suitable for pure organic solvent recognition,with fast recognition speed(＜1 min)and high accuracy(＞96.7％).The recognition accuracy of mixture spectral analysis mode is influenced by the recognition of characteristic peaks of mixed components,and the recognition effect of mixture components with similar Raman responses is good.Conclusion By establishing a Raman spectroscopy database and selecting effective screening strategies,laboratories can build a simple and feasible Raman rapid screening platform to reserve capacity for future emergency testing.
关键词
应急检测/有机溶剂/拉曼筛查/相似度(HQI)匹配/逆检索峰位匹配/混合物谱析Key words
emergency detection/organic solvents/Raman screening/similarity(HQI)matching/reverse search peak matching/mixture spectral analysis引用本文复制引用
基金项目
上海市加强公共卫生体系建设三年行动计划(2023-2025)(GWVI-4)
出版年
2024
NETL
NSTL
万方数据