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Simultaneous Quantification of 14 Compounds in Achillea millefolium by GC-MS Analysis and Near-Infrared Spectroscopy Combined with Multivariate Techniques

The proposed work is focused on the simultaneous quantification of 14 compounds in the medicinal plant Achillea millefolium based on Near-Infrared Spectroscopy (NIR). The regression model of single-compound models (SCMs) and multicompound model (MCM) were created by partial least-squares regression...

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Autores principales: Guo, Lan-Ping, Yang, Jian, Zhou, Li, Wang, Sheng, Kang, Chuan-Zhi, Huck, Christian W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8166488/
https://www.ncbi.nlm.nih.gov/pubmed/34123458
http://dx.doi.org/10.1155/2021/5566612
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author Guo, Lan-Ping
Yang, Jian
Zhou, Li
Wang, Sheng
Kang, Chuan-Zhi
Huck, Christian W.
author_facet Guo, Lan-Ping
Yang, Jian
Zhou, Li
Wang, Sheng
Kang, Chuan-Zhi
Huck, Christian W.
author_sort Guo, Lan-Ping
collection PubMed
description The proposed work is focused on the simultaneous quantification of 14 compounds in the medicinal plant Achillea millefolium based on Near-Infrared Spectroscopy (NIR). The regression model of single-compound models (SCMs) and multicompound model (MCM) were created by partial least-squares regression (PLSR). Also, these models were calibrated by gas chromatographic mass spectroscopy (GC-MS). The results showed that the averaged standard errors of prediction (SEP) for the SCMs and MCM were 0.49 and 0.62, respectively, and most of the 14 compounds were significantly correlated. 43 correlations were significant at the 0.01 level (47.25% of the total), and 11 correlations were significant at the 0.05 level (12.09% of the total). The first three principal components (PCs) of principal component analysis (PCA) can explain >78% of the total variance. According to the component matrix and the communality table, octadecanoic acid has the largest influence on PC 1 (extraction squared = 46.72%), whose extraction was 0.932. The communality of neophytadiene, Z,Z,Z-9,12,15-octadecatrienoic acid, and oleic acid was also found to be large, whose extractions were 0.955, 0.937, and 0.859, respectively. These results indicate that if one compound shows a linear relationship with the NIR absorbance signal (SCM) also, an MCM can be created due to the close interrelations of these compounds. In this context, the present work highlights a suitable sample preparation technique to perform NIR analysis of raw plant material to benefit from robust and precise calibrations. To sum up, this NIR spectroscopic approach offers a precise, rapid, and cost-effective high-throughput analytical technique to simultaneously and noninvasively perform quantitative analysis of raw plant materials.
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spelling pubmed-81664882021-06-11 Simultaneous Quantification of 14 Compounds in Achillea millefolium by GC-MS Analysis and Near-Infrared Spectroscopy Combined with Multivariate Techniques Guo, Lan-Ping Yang, Jian Zhou, Li Wang, Sheng Kang, Chuan-Zhi Huck, Christian W. J Anal Methods Chem Research Article The proposed work is focused on the simultaneous quantification of 14 compounds in the medicinal plant Achillea millefolium based on Near-Infrared Spectroscopy (NIR). The regression model of single-compound models (SCMs) and multicompound model (MCM) were created by partial least-squares regression (PLSR). Also, these models were calibrated by gas chromatographic mass spectroscopy (GC-MS). The results showed that the averaged standard errors of prediction (SEP) for the SCMs and MCM were 0.49 and 0.62, respectively, and most of the 14 compounds were significantly correlated. 43 correlations were significant at the 0.01 level (47.25% of the total), and 11 correlations were significant at the 0.05 level (12.09% of the total). The first three principal components (PCs) of principal component analysis (PCA) can explain >78% of the total variance. According to the component matrix and the communality table, octadecanoic acid has the largest influence on PC 1 (extraction squared = 46.72%), whose extraction was 0.932. The communality of neophytadiene, Z,Z,Z-9,12,15-octadecatrienoic acid, and oleic acid was also found to be large, whose extractions were 0.955, 0.937, and 0.859, respectively. These results indicate that if one compound shows a linear relationship with the NIR absorbance signal (SCM) also, an MCM can be created due to the close interrelations of these compounds. In this context, the present work highlights a suitable sample preparation technique to perform NIR analysis of raw plant material to benefit from robust and precise calibrations. To sum up, this NIR spectroscopic approach offers a precise, rapid, and cost-effective high-throughput analytical technique to simultaneously and noninvasively perform quantitative analysis of raw plant materials. Hindawi 2021-05-24 /pmc/articles/PMC8166488/ /pubmed/34123458 http://dx.doi.org/10.1155/2021/5566612 Text en Copyright © 2021 Lan-Ping Guo et al. https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Guo, Lan-Ping
Yang, Jian
Zhou, Li
Wang, Sheng
Kang, Chuan-Zhi
Huck, Christian W.
Simultaneous Quantification of 14 Compounds in Achillea millefolium by GC-MS Analysis and Near-Infrared Spectroscopy Combined with Multivariate Techniques
title Simultaneous Quantification of 14 Compounds in Achillea millefolium by GC-MS Analysis and Near-Infrared Spectroscopy Combined with Multivariate Techniques
title_full Simultaneous Quantification of 14 Compounds in Achillea millefolium by GC-MS Analysis and Near-Infrared Spectroscopy Combined with Multivariate Techniques
title_fullStr Simultaneous Quantification of 14 Compounds in Achillea millefolium by GC-MS Analysis and Near-Infrared Spectroscopy Combined with Multivariate Techniques
title_full_unstemmed Simultaneous Quantification of 14 Compounds in Achillea millefolium by GC-MS Analysis and Near-Infrared Spectroscopy Combined with Multivariate Techniques
title_short Simultaneous Quantification of 14 Compounds in Achillea millefolium by GC-MS Analysis and Near-Infrared Spectroscopy Combined with Multivariate Techniques
title_sort simultaneous quantification of 14 compounds in achillea millefolium by gc-ms analysis and near-infrared spectroscopy combined with multivariate techniques
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8166488/
https://www.ncbi.nlm.nih.gov/pubmed/34123458
http://dx.doi.org/10.1155/2021/5566612
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