在大鼠血清中使用ATR-FTIR和Raman光谱学与机器学习进行集成的限制应激分析
Zehua Fan1, Chenyu Li2, Qiran Sun3
1Institute of Forensic Science, Fudan University, Shanghai 200032, People's Republic of China; College of Forensic Medicine, Hebei Key Laboratory of Forensic Medicine, Hebei Medical University, Shijiazhuang 050000, People's Republic of China; Department of Forensic Pathology, Institute of Forensic Science, Shanghai Key Laboratory of Forensic Medicine, Academy of Forensic Science, Shanghai 200063, People's Republic of China.
概括
这项研究引入了一种使用光谱学和机器学习来检测法医科学中克制压力的新方法. 该方法成功地确定了限制的生物标志物,并可能确定其持续时间.
科学领域:
- 法医科学 法医科学 法医科学
- 生物化学 生物化学
- 分析化学 分析化学
- 机器学习 机器学习
背景情况:
- 在法医实践中,评估长时间的束和相关的伤害是具有挑战性的.
- 目前的方法可能缺乏精度或灵敏度,无法准确检测制应力.
- 需要客观的生物标志物来识别和量化限制的影响.
研究的目的:
- 开发和验证一种新的方法来识别使用光谱学和机器学习的约束应力.
- 探索减弱总反射里叶变换红外 (ATR-FTIR) 和拉曼光谱在检测压力生物标志物的潜力.
- 研究使用机器学习模型来分析光谱数据和区分压力水平.
主要方法:
- 鼠被分为三个组:克制压力,控制 (没有克制的压力) 和正常.
- 使用ATR-FTIR和拉曼光谱分析了血清样本.
- 主要组件分析 (PCA) 和随机森林 (RF) 机器学习模型用于数据分析和分类.
主要成果:
- 特定的光谱峰值 (例如,反对称的C-O-C延伸, -N+(CH3) 3反对称的延伸) 被确定为抑制压力的指标.
- 射频模型有效地将克制压力组与控制组和正常组区分开来.
- 发现额外的光谱标志物与克制压力的持续时间相关,包括与碳酸乙,β折叠板,Amide III,脂和β-胡卜素相关的带.
结论:
- 综合使用ATR-FTIR,拉曼光谱和机器学习提供了一个有希望的工具,用于检测和表征约束应力.
- 这种新的方法在法医科学中有很大的应用潜力,用于客观地评估约束力.
- 进一步的研究可以建立在这些发现的基础上,以完善确定约束的持续时间和严重性的方法.
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Attenuated total reflectance (ATR) infrared spectroscopy is a powerful analytical technique used to study the composition of materials. It is widely employed in chemistry, materials science, forensic science, and other fields where sample characterization is required. ATR has several advantages over traditional transmission IR spectroscopy, including the requirement of little to no sample preparation and the ability to analyze a wide range of samples.
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01:20Raman Spectroscopy: Overview
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The underlying principle of Raman spectroscopy is based on the interaction between light and matter, specifically molecules' inelastic scattering of photons. When a monochromatic beam of light, typically from a laser source, interacts with a sample, most scattered light has the same frequency as the incident light. This is known as Rayleigh scattering.
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and...
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01:26Raman Spectroscopy Instrumentation: Overview
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A conventional Raman spectrophotometer includes a laser source, a sample holding system, a wavelength selector, and a detector.
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01:11Applications of IR Spectroscopy: Overview
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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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