1H NMR Combined with Multivariate Statistics for Discrimination of Female and Male Flower Buds of Populus tomentosa

1H Nuclear Magnetic Resonance (1H NMR) combined with multivariate statistics was adopted to discriminate female and male flower buds of Populus tomentosa in the study. Samples of 11 female and 16 male flower buds of P. tomento...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Bo Xu, Cui Wu, Zhuojun Li, Pingping Song, Zhimao Chao
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	Chinese medicine principal component analysis hierarchical clustering analysis orthogonal partial least squares-discriminant analysis dioecious plants Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/54979264a81b41dfb469ca9e5b882fb8
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:54979264a81b41dfb469ca9e5b882fb8
record_format	dspace
spelling	oai:doaj.org-article:54979264a81b41dfb469ca9e5b882fb82021-11-11T18:28:02Z<sup>1</sup>H NMR Combined with Multivariate Statistics for Discrimination of Female and Male Flower Buds of <i>Populus tomentosa</i>10.3390/molecules262164581420-3049https://doaj.org/article/54979264a81b41dfb469ca9e5b882fb82021-10-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/21/6458https://doaj.org/toc/1420-3049<sup>1</sup>H Nuclear Magnetic Resonance (<sup>1</sup>H NMR) combined with multivariate statistics was adopted to discriminate female and male flower buds of <i>Populus tomentosa</i> in the study. Samples of 11 female and 16 male flower buds of <i>P. tomentosa</i> were collected in Beijing, China. <sup>1</sup>H NMR spectra were acquired on a 400 MHz spectrometer. In total, 30 chemical compounds were identified with standards and literature according to chemical shifts, peak areas, and multiplicity. Principal component analysis (PCA), hierarchical clustering analysis (HCA), and supervised orthogonal partial least squares-discriminant analysis (OPLS-DA) were applied to discriminate female and male flower buds. An apparent grouping trend (R<sup>2</sup>X, 0.809; Q<sup>2</sup>, 0.903) between female and male groups was exhibited with PCA and HCA. The two groups were also well discriminated with OPLS-DA (R<sup>2</sup>X, 0.808; R<sup>2</sup>Y, 0.976; Q<sup>2</sup>, 0.960). Combined with variable importance in projection (VIP) > 1.0 and <i>p <</i> 0.05 of OPLS-DA, it was found that the content of daucosterol, <i>β</i>-sitosterol, ursolic acid, and betulonic acid in male group was higher than that in female, which should be the key differences of chemical constituents in female and male flower buds of <i>P. tomentosa</i>. The study demonstrated that <sup>1</sup>H NMR combined with multivariate statistics could be used to discriminate female and male plants and clarify differences, which provided a novel method to identify the gender of dioecious plants.Bo XuCui WuZhuojun LiPingping SongZhimao ChaoMDPI AGarticleChinese medicineprincipal component analysishierarchical clustering analysisorthogonal partial least squares-discriminant analysisdioecious plantsOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6458, p 6458 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Chinese medicine principal component analysis hierarchical clustering analysis orthogonal partial least squares-discriminant analysis dioecious plants Organic chemistry QD241-441
spellingShingle	Chinese medicine principal component analysis hierarchical clustering analysis orthogonal partial least squares-discriminant analysis dioecious plants Organic chemistry QD241-441 Bo Xu Cui Wu Zhuojun Li Pingping Song Zhimao Chao <sup>1</sup>H NMR Combined with Multivariate Statistics for Discrimination of Female and Male Flower Buds of <i>Populus tomentosa</i>
description	<sup>1</sup>H Nuclear Magnetic Resonance (<sup>1</sup>H NMR) combined with multivariate statistics was adopted to discriminate female and male flower buds of <i>Populus tomentosa</i> in the study. Samples of 11 female and 16 male flower buds of <i>P. tomentosa</i> were collected in Beijing, China. <sup>1</sup>H NMR spectra were acquired on a 400 MHz spectrometer. In total, 30 chemical compounds were identified with standards and literature according to chemical shifts, peak areas, and multiplicity. Principal component analysis (PCA), hierarchical clustering analysis (HCA), and supervised orthogonal partial least squares-discriminant analysis (OPLS-DA) were applied to discriminate female and male flower buds. An apparent grouping trend (R<sup>2</sup>X, 0.809; Q<sup>2</sup>, 0.903) between female and male groups was exhibited with PCA and HCA. The two groups were also well discriminated with OPLS-DA (R<sup>2</sup>X, 0.808; R<sup>2</sup>Y, 0.976; Q<sup>2</sup>, 0.960). Combined with variable importance in projection (VIP) > 1.0 and <i>p <</i> 0.05 of OPLS-DA, it was found that the content of daucosterol, <i>β</i>-sitosterol, ursolic acid, and betulonic acid in male group was higher than that in female, which should be the key differences of chemical constituents in female and male flower buds of <i>P. tomentosa</i>. The study demonstrated that <sup>1</sup>H NMR combined with multivariate statistics could be used to discriminate female and male plants and clarify differences, which provided a novel method to identify the gender of dioecious plants.
format	article
author	Bo Xu Cui Wu Zhuojun Li Pingping Song Zhimao Chao
author_facet	Bo Xu Cui Wu Zhuojun Li Pingping Song Zhimao Chao
author_sort	Bo Xu
title	<sup>1</sup>H NMR Combined with Multivariate Statistics for Discrimination of Female and Male Flower Buds of <i>Populus tomentosa</i>
title_short	<sup>1</sup>H NMR Combined with Multivariate Statistics for Discrimination of Female and Male Flower Buds of <i>Populus tomentosa</i>
title_full	<sup>1</sup>H NMR Combined with Multivariate Statistics for Discrimination of Female and Male Flower Buds of <i>Populus tomentosa</i>
title_fullStr	<sup>1</sup>H NMR Combined with Multivariate Statistics for Discrimination of Female and Male Flower Buds of <i>Populus tomentosa</i>
title_full_unstemmed	<sup>1</sup>H NMR Combined with Multivariate Statistics for Discrimination of Female and Male Flower Buds of <i>Populus tomentosa</i>
title_sort	<sup>1</sup>h nmr combined with multivariate statistics for discrimination of female and male flower buds of <i>populus tomentosa</i>
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/54979264a81b41dfb469ca9e5b882fb8
work_keys_str_mv	AT boxu sup1suphnmrcombinedwithmultivariatestatisticsfordiscriminationoffemaleandmaleflowerbudsofipopulustomentosai AT cuiwu sup1suphnmrcombinedwithmultivariatestatisticsfordiscriminationoffemaleandmaleflowerbudsofipopulustomentosai AT zhuojunli sup1suphnmrcombinedwithmultivariatestatisticsfordiscriminationoffemaleandmaleflowerbudsofipopulustomentosai AT pingpingsong sup1suphnmrcombinedwithmultivariatestatisticsfordiscriminationoffemaleandmaleflowerbudsofipopulustomentosai AT zhimaochao sup1suphnmrcombinedwithmultivariatestatisticsfordiscriminationoffemaleandmaleflowerbudsofipopulustomentosai
_version_	1718431822812020736

<sup>1</sup>H NMR Combined with Multivariate Statistics for Discrimination of Female and Male Flower Buds of <i>Populus tomentosa</i>

Ejemplares similares