Raman database of amino acids solutions: a critical study of Extended Multiplicative Signal Correction
Raman database of amino acids solutions: a critical study of Extended Multiplicative Signal Correction
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DOI：
10.1039/c3an01665j
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发表时间：
2013-01-01
期刊：
影响因子：
4.2
通讯作者：
Di Fabrizio, Enzo
中科院分区：
文献类型：
--
作者：
Candeloro, Patrizio;Grande, Elisabetta;Di Fabrizio, Enzo
生物材料的拉曼光谱总是表现出复杂的轮廓，由由于生物分子种类繁多而产生的几个峰和/或带组成。从这些光谱中提取定量信息不是一项简单的任务。虽然可以从峰频率的变化或从某些峰的出现/消失中检索定性信息，但定量分析需要检查峰强度。不幸的是，在生物样品中，不容易识别用于归一化强度的参考峰，这使得研究峰强度非常困难。在过去的几十年中，一个更精细的数学工具，扩展的乘法信号校正（EMSC），已被提出用于处理红外光谱，这也是能够提供定量信息。从数学和物理的角度来看，EMSC也可以应用于拉曼光谱，最近提出。在这项工作中，EMSC程序的可靠性进行了测试，通过应用到一个定义明确的生物系统：20个标准氨基酸和它们的组合肽。第一步是收集这20种氨基酸的拉曼数据库，随后应用EMSC处理从氨基酸混合物和肽中检索定量信息。一个关键的审查结果，表明EMSC必须小心处理复杂的生物系统。
The Raman spectra of biological materials always exhibit complex profiles, constituting several peaks and/or bands which arise due to the large variety of biomolecules. The extraction of quantitative information from these spectra is not a trivial task. While qualitative information can be retrieved from the changes in peaks frequencies or from the appearance/disappearance of some peaks, quantitative analysis requires an examination of peak intensities. Unfortunately in biological samples it is not easy to identify a reference peak for normalizing intensities, and this makes it very difficult to study the peak intensities. In the last decades a more refined mathematical tool, the extended multiplicative signal correction (EMSC), has been proposed for treating infrared spectra, which is also capable of providing quantitative information. From the mathematical and physical point of view, EMSC can also be applied to Raman spectra, as recently proposed. In this work the reliability of the EMSC procedure is tested by application to a well defined biological system: the 20 standard amino acids and their combination in peptides. The first step is the collection of a Raman database of these 20 amino acids, and subsequently EMSC processing is applied to retrieve quantitative information from amino acids mixtures and peptides. A critical review of the results is presented, showing that EMSC has to be carefully handled for complex biological systems.