Identification of different hair dyes in dyed hair using Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) and Surface Enhancing Raman Spectroscopy (SERS)

IF 4.8 2区 化学 Q1 SPECTROSCOPY Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-07-05 Epub Date: 2025-02-26 DOI:10.1016/j.saa.2025.125952
Ali Kocak , Nicholas Lovera , Mircea Alex Comanescu
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Abstract

Forensic analysis of dyed hair by using Attenuated Total Reflectance Fourier Transform Infrared (ATR FT-IR) Spectroscopy and Surface Enhanced Raman Spectroscopy (SERS) was undertaken to differentiate between commercial hair dye brands. Human hair samples across five natural colors were dyed and subsequently analyzed to identify chemical changes induced by the dyeing process. Solvent dye extraction experiments were then conducted to isolate and compare the dye’s chemical makeup against its commercial counterparts.
Statistically, dye brands could be differentiated by Partial Least Squares Discriminant Analysis (PLSDA), demonstrating the applicability of machine learning in forensic hair dye analysis. While ATR FT-IR showed promising results in identifying characteristic bands and achieving high predictive accuracy, SERS faced limitations in data acquisition, indicating areas for future research.
Overall, the findings highlight the potential of spectroscopic techniques combined with statistical analysis to enhance forensic investigations of dyed hair. Further exploration into used solvents and nanoparticle types for improved SERS are suggested. This research contributes to the development of forensic methodologies for dyed hair evidence, aiming for integration into forensic databases to support crime laboratory analyses.

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利用衰减全反射傅里叶变换红外(ATR - FT-IR)和表面增强拉曼光谱(SERS)鉴别染发中不同染发剂。
利用衰减全反射傅里叶变换红外光谱(ATR FT-IR)和表面增强拉曼光谱(SERS)对染色头发进行法医分析,以区分商业染发剂品牌。研究人员对五种自然颜色的人类头发样本进行了染色,随后对其进行了分析,以确定染色过程中引起的化学变化。然后进行溶剂染料萃取实验,分离并比较染料的化学组成与商业对手。统计上,染料品牌可以通过偏最小二乘判别分析(PLSDA)来区分,这表明机器学习在法医染发剂分析中的适用性。虽然ATR FT-IR在识别特征波段和实现高预测精度方面取得了可喜的成果,但SERS在数据采集方面存在局限性,这表明了未来研究的领域。总的来说,这些发现突出了光谱技术与统计分析相结合的潜力,以加强对染色头发的法医调查。建议进一步探索用于改善SERS的溶剂和纳米颗粒类型。这项研究有助于发展染色头发证据的法医方法,旨在将其整合到法医数据库中,以支持犯罪实验室分析。
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来源期刊
CiteScore
8.40
自引率
11.40%
发文量
1364
审稿时长
40 days
期刊介绍: Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.
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