Ajay Vikram Singh, Girija Bansod, Angelina Schumann, Frank S. Bierkandt, Peter Laux, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Andreas Luch
{"title":"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","authors":"Ajay Vikram Singh, Girija Bansod, Angelina Schumann, Frank S. Bierkandt, Peter Laux, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Andreas Luch","doi":"10.2174/0115734110316443240725051037","DOIUrl":null,"url":null,"abstract":"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.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Investigating Tattoo Pigments Composition with UV-Vis and FT-IR Spectroscopy supported by Chemometric Modelling\",\"authors\":\"Ajay Vikram Singh, Girija Bansod, Angelina Schumann, Frank S. Bierkandt, Peter Laux, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Andreas Luch\",\"doi\":\"10.2174/0115734110316443240725051037\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"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.\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2024-08-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.2174/0115734110316443240725051037\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.2174/0115734110316443240725051037","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
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.
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.