Sofia Pessanha, Iulian Otel, Valentina Vassilenko, João M. Silveira, Paulo Ribeiro
{"title":"拓展视野:用于识别大型羟基磷灰石样品的拉曼探针开发和光谱预处理评估","authors":"Sofia Pessanha, Iulian Otel, Valentina Vassilenko, João M. Silveira, Paulo Ribeiro","doi":"10.1002/jrs.6704","DOIUrl":null,"url":null,"abstract":"<p>This paper addresses the challenge posed by the size of certain objects that do not conform to the constraints of microscope-coupled Raman spectrometers, making sample collection impossible due to their inherent value or nature. Specifically, materials like hydroxyapatite-based substances used in artistic and ornamental carvings, such as bone or ivory, fall within this problematic category. The focus of this study is the enhancement of analytical capabilities in the context of large objects using a Raman microscope system. The study details the innovation involving a remote probe integrated with fiber optics, elaborating on the design and performance aspects, and emphasizing the appropriateness of chosen components in the analysis of ivory artifacts belonging to private collectors. In order to assess the robustness of our discriminative approaches, an archaeological bone and the exposed dentine in a human tooth were also evaluated and compared. Results showed that using an 805-nm longpass dichroic mirror successfully directed the near-infrared laser onto the samples and significantly suppressed the Rayleigh scattering contribution to the spectrum. Regarding the preprocessing methods to spectra evaluation essayed, the most promising approach was the use of principal component analysis for dimension reduction followed by k-means cluster analysis. By leveraging the complementary strengths of PCA and k-means clustering, the robustness and interpretability of clustering analyses are enhanced.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 9","pages":"975-981"},"PeriodicalIF":2.4000,"publicationDate":"2024-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Expanding the horizons: Raman probe development and spectra preprocessing evaluation for recognition of large hydroxyapatite-based samples\",\"authors\":\"Sofia Pessanha, Iulian Otel, Valentina Vassilenko, João M. Silveira, Paulo Ribeiro\",\"doi\":\"10.1002/jrs.6704\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>This paper addresses the challenge posed by the size of certain objects that do not conform to the constraints of microscope-coupled Raman spectrometers, making sample collection impossible due to their inherent value or nature. Specifically, materials like hydroxyapatite-based substances used in artistic and ornamental carvings, such as bone or ivory, fall within this problematic category. The focus of this study is the enhancement of analytical capabilities in the context of large objects using a Raman microscope system. The study details the innovation involving a remote probe integrated with fiber optics, elaborating on the design and performance aspects, and emphasizing the appropriateness of chosen components in the analysis of ivory artifacts belonging to private collectors. In order to assess the robustness of our discriminative approaches, an archaeological bone and the exposed dentine in a human tooth were also evaluated and compared. Results showed that using an 805-nm longpass dichroic mirror successfully directed the near-infrared laser onto the samples and significantly suppressed the Rayleigh scattering contribution to the spectrum. Regarding the preprocessing methods to spectra evaluation essayed, the most promising approach was the use of principal component analysis for dimension reduction followed by k-means cluster analysis. By leveraging the complementary strengths of PCA and k-means clustering, the robustness and interpretability of clustering analyses are enhanced.</p>\",\"PeriodicalId\":16926,\"journal\":{\"name\":\"Journal of Raman Spectroscopy\",\"volume\":\"55 9\",\"pages\":\"975-981\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2024-05-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Raman Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6704\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Raman Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6704","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Expanding the horizons: Raman probe development and spectra preprocessing evaluation for recognition of large hydroxyapatite-based samples
This paper addresses the challenge posed by the size of certain objects that do not conform to the constraints of microscope-coupled Raman spectrometers, making sample collection impossible due to their inherent value or nature. Specifically, materials like hydroxyapatite-based substances used in artistic and ornamental carvings, such as bone or ivory, fall within this problematic category. The focus of this study is the enhancement of analytical capabilities in the context of large objects using a Raman microscope system. The study details the innovation involving a remote probe integrated with fiber optics, elaborating on the design and performance aspects, and emphasizing the appropriateness of chosen components in the analysis of ivory artifacts belonging to private collectors. In order to assess the robustness of our discriminative approaches, an archaeological bone and the exposed dentine in a human tooth were also evaluated and compared. Results showed that using an 805-nm longpass dichroic mirror successfully directed the near-infrared laser onto the samples and significantly suppressed the Rayleigh scattering contribution to the spectrum. Regarding the preprocessing methods to spectra evaluation essayed, the most promising approach was the use of principal component analysis for dimension reduction followed by k-means cluster analysis. By leveraging the complementary strengths of PCA and k-means clustering, the robustness and interpretability of clustering analyses are enhanced.
期刊介绍:
The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications.
Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.