Analysis and interpretation of organic compounds in Martian meteorites with Raman imaging and chemometrics

Leire Coloma , Julene Aramendia , Jose Manuel Amigo , Iratxe Población , Fernando Alberquilla , Giulia Gorla , Jennifer Huidobro , Imanol Torre-Fdez , Gorka Arana , Juan Manuel Madariaga
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Abstract

One of the focuses of the research being developed on Mars (and consequently in samples from Mars) is the detection and study of organic compounds. Perseverance rover, currently analysing the Martian surface, is equipped with top-level instrumentation to detect mostly organic molecules. One of the techniques being used is Raman spectroscopy, due to its capability to analyse both inorganic and organic compounds simultaneously and its non-destructive and non-invasive properties. Unfortunately, it becomes cumbersome to determine the belonging of specific Raman bands in complex mixtures composed of an undetermined number of organic and inorganic molecules. Therefore, the study of this mixed information must be carried out with dedicated Chemometrics methods in order to understand the number of compounds present in a mixture (using Principal Component Analysis – PCA) and to obtain the pure spectra and the relative intensity of each compound (using spectral unmixing methods like Multivariate Curve Resolution – MCR). This manuscript presents an analysis of specific areas from the NWA 6148 Martian Nakhlite using Raman imaging, coupled with principal component analysis (PCA) and multivariate curve resolution (MCR), to determine the spatial distribution and spectral signatures of all organic and inorganic molecules present in these areas. The proposed methodology could be applied to the laboratory study of the future Mars-returned samples and other extraterrestrial samples returned to Earth.

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用拉曼成像和化学计量学分析和解释火星陨石中的有机化合物
在火星上(因此也在火星样本中)开展的研究的重点之一是探测和研究有机化合物。目前正在火星表面进行分析的毅力号漫游车配备了顶级仪器,主要用于探测有机分子。拉曼光谱是正在使用的技术之一,因为它能够同时分析无机和有机化合物,而且具有非破坏性和非侵入性的特点。遗憾的是,在由数量不确定的有机和无机分子组成的复杂混合物中,确定特定拉曼光谱带的归属变得非常麻烦。因此,必须使用专门的化学计量学方法来研究这些混合信息,以了解混合物中存在的化合物数量(使用主成分分析 - PCA),并获得纯光谱和每种化合物的相对强度(使用光谱非混合方法,如多变量曲线解析 - MCR)。本手稿介绍了利用拉曼成像技术,结合主成分分析(PCA)和多变量曲线分辨率(MCR),对 NWA 6148 火星钠长石特定区域进行的分析,以确定这些区域中存在的所有有机和无机分子的空间分布和光谱特征。拟议的方法可用于对未来火星返回的样本和其他返回地球的地外样本进行实验室研究。
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来源期刊
CiteScore
8.40
自引率
11.40%
发文量
1364
审稿时长
40 days
期刊介绍: Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.
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