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IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the...
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Mass spectrometry is a powerful characterization technique that can identify and separate a wide variety of compounds ranging from chemical to biological entities, based on their mass-to-charge ratio (m/z). The instruments that allow this detection, known as mass spectrometers, have three components: an ion source, a mass analyzer, and a detector. These spectrometers differ based on the nature of their ion source and analyzers.
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从光谱到签名:用ATR-FTIR和机器学习检测人类指甲中的芬太尼.

Aubrey Barney1, Václav Trojan2,3, Radovan Hrib2,4

  • 1Department of Environmental Toxicology, Texas Tech University, Lubbock, TX 79409, USA.

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|January 11, 2025
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概括

人类指甲分析可以检测芬太尼的使用. 结合ATR-FTIR光谱学和机器学习,准确地区分了芬太尼使用者和非使用者,显示指甲是一个可行的毒理样本.

关键词:
在ATRFTIRIR中.在PLS-DA中.在SVM-DA中使用SVM.芬太尼 (Fentanyl) 是一种药物.手指的指甲,指甲的指甲.机器学习是机器学习.脚指甲的指甲是指甲.

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科学领域:

  • 法医毒理学 法医毒理学
  • 分析化学是一种分析化学.
  • 机器学习应用程序 机器学习应用程序

背景情况:

  • 人类指甲越来越多地被认为是有毒学分析的有价值矩阵,因为它们的质素成分.
  • 滥用芬太尼造成了严重的公共卫生危机,需要可靠的检测方法.

研究的目的:

  • 调查减弱总反射度里埃变换红外光谱 (ATR-FTIR) 谱学与机器学习相结合的有效性,以区分芬太尼使用与指甲样本.
  • 为了确定人类指甲作为芬太尼毒理学可行的样本类型.

主要方法:

  • 使用ATR-FTIR光谱学分析人类指甲样本中的芬太尼.
  • 开发和应用机器学习模型,特别是部分最小平方差分分析 (PLS-DA) 和支持矢量机器差分分析 (SVM-DA),用于样本分类.
  • 基于整体准确性和捐赠者级别分类的评估模型性能.

主要成果:

  • 实现了高准确率:84.8%的PLS-DA和81.4%的SVM-DA在分化样本.
  • 在捐赠者层面获得了完美的分类 (100%),成功地区分了使用芬太尼和不使用芬太尼的人.
  • 通过指甲分析证明了联合技术的潜力,通过指甲分析识别芬太尼暴露.

结论:

  • 与机器学习相结合的ATR-FTIR光谱学提供了一种有效的方法,通过指甲分析来区分芬太尼的使用.
  • 人类指甲样本是芬太尼毒理学查的合适和可行的基准.
  • 这种方法为法医和临床毒理学提供了一个有前途的工具,有助于检测滥用芬太尼.