自动非目标选工作流程,用于追踪工业化沿海沉积物中的有机污染物的来源
Mangong Shin1, Sori Mok1, Seongjin Hong2
1Department of Marine Science and Convergence Technology, College of Engineering Sciences, Hanyang University, Ansan, 15588, Republic of Korea.
Marine pollution bulletin
|January 29, 2026
概括
一个自动化工作流程处理环境数据,用于沿海沉积物中的化学指纹. 该方法可以识别工业污染源,有助于环境监测和化学跟踪.
科学领域:
- 环境化学环境化学
- 分析化学 分析化学
- 化学测量 化学测量 化学测量
背景情况:
- 工业化沿海地区面临着复杂的化学污染挑战.
- 非目标选 (NTS) 产生了需要强大的处理的大型数据集.
- 化学指纹的特征对于来源识别和环境监测至关重要.
研究的目的:
- 开发和验证用于处理NTS数据的自动化工作流.
- 应用多变量统计分析用于沉积物中的化学指纹特征.
- 将已识别的化学化合物与沿海地区的特定工业活动联系起来.
主要方法:
- 开发基于R的自动化工作流程,用于气色谱-飞行时间质谱 (GC-TOFMS) 数据.
- 实施基于保留指数的过,特征整合和空白减去.
- 部分最小方程区分分析 (PLS-DA) 的应用,用于特定地点的指纹区分.
主要成果:
- 自动化工作流大大提高了数据可靠性,并减少了手工工作.
- 在工业化海湾沉积物中,PLS-DA成功地区分了特定地点的化学指纹.
- 暂时确定的化合物与石化制造,化石燃料燃烧,废物焚烧和造船有关.
结论:
- 开发的工作流是一个可扩展和可重复的工具,用于化学源追踪.
- 将NTS与统计分析相结合,对于沉积物环境监测非常有效.
- 这种综合方法有助于理解和管理沿海生态系统中的化学污染.
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