文化遗产材料拉曼研究中的主成分分析方法概述

IF 2.4 3区 化学 Q2 SPECTROSCOPY
Alessia Coccato, Maria Cristina Caggiani
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引用次数: 0

摘要

目前的概述回答了评估有关主成分分析(PCA)在文化遗产和相关材料的拉曼光谱研究中的应用现状的需要。在上述领域中,这种多变量统计技术对拉曼结果的应用在15至10年前开始增加,在千禧年之交开始非常缓慢。在将PCA应用于考古分析的元素定量数据方面,观察到大约十年的延迟,这可能是所需的光谱预处理和复杂解释结果的结果。因此,现在是时候以一种全面而又非常具体的方式总结这一演变了。在这个概述中,考虑了绘画成分,除了天然和合成玻璃之外,还考虑了着色材料和粘合剂,以及生物和矿物宝石材料。关于不同部分的研究之间存在明显的不平衡,揭示了主要集中在绘画材料上的工作,包括对老化和变化的研究。重点介绍了PCA应用于拉曼光谱的不同目的、各种方法和可实现的结果,以及可能出现的问题。特别注意了光谱的预处理,这对于克服波段强度、光谱噪声、背景、荧光等几个问题的影响至关重要。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

An overview of Principal Components Analysis approaches in Raman studies of cultural heritage materials

An overview of Principal Components Analysis approaches in Raman studies of cultural heritage materials

An overview of Principal Components Analysis approaches in Raman studies of cultural heritage materials

The present overview answers the need of assessing the current state of the art concerning the application of principal components analysis (PCA) to Raman spectroscopy investigations of cultural heritage and related materials. An increment of the employment of this multivariate statistic technique to Raman results in the mentioned field began between 15 and 10 years ago, after a very slow start at the turn of the millennium. A delay of about a decade was observed with respect to PCA applied to elemental quantitative data of archaeometric analyses, likely a consequence of the required spectral pre-treatment and to results of complex interpretation. Therefore, it is by now the time to summarize this evolution in a comprehensive, yet very specific way. In this overview, painting constituents were considered, both colouring materials and binders, in addition to natural and synthetic glasses, and biogenic and mineral gemmological materials. A marked unbalance between the studies pertaining to the different sections has been noticed, revealing a concentration of the work mainly on painting materials, including the study of ageing and alteration. The different aims of PCA application to Raman spectra, the various approaches and the achievable results, with the possible arising problems, were underlined, too. Special attention was given to the pre-treatment of the spectra, which was observed to be essential to overcome the influence of several issues concerning bands intensity, spectral noise, background, fluorescence and so on.

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来源期刊
CiteScore
5.40
自引率
8.00%
发文量
185
审稿时长
3.0 months
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.
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