利用紫外可见光谱和傅立叶变换红外光谱以及化学计量模型研究纹身颜料成分

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-08-02 DOI:10.2174/0115734110316443240725051037

Ajay Vikram Singh, Girija Bansod, Angelina Schumann, Frank S. Bierkandt, Peter Laux, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Andreas Luch

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引用次数: 0

摘要

目的：本研究调查了纹身颜料的成分，以确保其在纹身艺术中的安全应用，同时评估了紫外-可见光谱和傅立叶变换红外光谱以及化学计量学在预测纹身墨水中颜料含量方面的可行性。背景：分析纹身墨水中的颜料对保证质量提出了挑战。本研究提出使用紫外可见光谱和傅立叶变换红外光谱以及化学计量学作为有效监测的潜在解决方案，以解决这些难题。目标：本研究旨在确定来自不同供应商的纹身墨水中红色 (PR) 170/254 和蓝色颜料 (PB) 15:3 的含量，并使用紫外可见光谱和傅立叶变换红外光谱分析样品中不同的化学结构和现有杂质，同时采用回归模型进行数据分析。方法：我们收集了纹身墨水样品的紫外可见光谱和傅立叶变换红外光谱，并利用回归模型进行数据分析。我们评估了各光谱区域的相关性，强调了交叉验证的决定系数。随后，我们比较了两种光谱方法得出的颜料特性结果，并评估了紫外可见光谱法在分析颜料浓度变化和结构演变方面的适用性。最后，我们采用化学计量学建模来增强对傅立叶变换红外光谱参数的预测，尤其是在光谱的官能团和指纹区。研究结果在紫外-可见光谱和傅立叶变换红外光谱区域都观察到了显著的相关性，大多数参数的交叉验证决定系数都超过了 0.7。两种光谱方法得出的颜料特征结果几乎相同。事实证明，紫外可见光谱是分析颜料浓度变化和结构演变的合适方法。化学计量建模增强了对傅立叶变换红外光谱参数的预测，尤其是在光谱的官能团和指纹区。结论这项研究强调了利用不同供应商提供的紫外可见光谱和傅立叶变换红外光谱来确定纹身油墨中颜料结构的重要性。这两种光谱分析方法得出的结果一致且具有可比性，突显了它们在表征颜料特性方面的功效。尤其是紫外可见光谱法，已成为评估颜料浓度变化和结构演变的重要工具。通过化学计量建模改进的预测结果进一步强调了这些分析方法在确保纹身艺术中安全使用纹身墨水方面的实用性。

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Investigating Tattoo Pigments Composition with UV-Vis and FT-IR Spectroscopy supported by Chemometric Modelling

Aims: This study investigates the composition of tattoo pigments to ensure their safe application in tattoo art, evaluating the viability of UV-Vis and FT-IR spectroscopy, coupled with chemometrics, for predicting pigment contents in tattoo inks. Background: Analyzing pigments in tattoo inks poses challenges in maintaining quality. This study addresses the difficulties by proposing the use of UV-Vis and FT-IR spectroscopy, along with chemometrics, as potential solutions for effective monitoring. Objective: The aim of this study was to determine the content of red (PR) 170/254 and pigment blue (PB) 15:3 in tattoo inks from diverse suppliers and examine the distinct chemical structures and existing impurities in the samples using UV-Vis and FT-IR spectroscopy, employing regression models for data analysis. Method: We collected UV-Vis and FT-IR spectra from the tattoo ink samples and utilized regression models for data analysis. We assessed correlations across spectrum areas, emphasizing coefficients of determination for cross-validation. Subsequently, we compared the results obtained from both spectroscopic methods in terms of pigment identity and evaluated the suitability of UV-Vis spectroscopy for analyzing changes in pigment concentration and structural evolution. Finally, we employed chemometric modeling to enhance predictions of FT-IR parameters, particularly in the functional group and fingerprint region of the spectra. Results: Significant correlations were observed across both UV-Vis and FT-IR spectrum areas, with coefficients of determination for cross-validation exceeding 0.7 for most parameters. Both spectroscopic methods yielded nearly identical results regarding pigment identity. UV-Vis spectroscopy proved to be a suitable method for analyzing changes in pigment concentration and structural evolution. Chemometric modeling enhanced predictions of FT-IR parameters, particularly in the functional group and fingerprint region of the spectra. Conclusion: The study underscores the significance of utilizing UV-Vis and FT-IR wavelengths from various suppliers to determine pigment structures in tattoo inks. The consistent and comparable results from both spectroscopic methods highlight their efficacy in characterizing pigments. UV-Vis spectroscopy, in particular, emerged as a valuable tool for assessing changes in pigment concentration and structural evolution. The improved predictions through chemometric modeling further emphasize the utility of these analytical approaches in ensuring the safe use of tattoo inks in the art of tattooing.

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.