Sustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics

Underutilized biowaste materials are investigated for their potential as sustainable textile colorants through an approach based on mass spectrometry, bioinformatics, and chemometrics. In this study, colorful decoctions were prepared from the outer bark of <i>Eucalyptus deglupta</i> and...

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Autores principales:	Ralph John Emerson J. Molino, Klidel Fae B. Rellin, Ricky B. Nellas, Hiyas A. Junio
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	natural colorants ultrahigh-performance liquid chromatography–high resolution mass spectrometry (UHPLC–HRMS) metabolomics GNPS molecular networking Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/1255c782db504320ad7ef539e2716087
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spelling	oai:doaj.org-article:1255c782db504320ad7ef539e27160872021-11-11T18:37:00ZSustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics10.3390/molecules262166451420-3049https://doaj.org/article/1255c782db504320ad7ef539e27160872021-11-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/21/6645https://doaj.org/toc/1420-3049Underutilized biowaste materials are investigated for their potential as sustainable textile colorants through an approach based on mass spectrometry, bioinformatics, and chemometrics. In this study, colorful decoctions were prepared from the outer bark of <i>Eucalyptus deglupta</i> and fruit peels of <i>Syzygium samarangense, Syzygium malaccense, Diospyros discolor</i>, and <i>Dillenia philippinensis.</i> Textile dyeing was performed along with liquid chromatography–mass spectrometry (LC–MS)-based untargeted metabolomics to determine the small molecules responsible for the observed colors. Global Natural Products Social Molecular Networking (GNPS) guided the annotation of black-producing proanthocyanidins in <i>D. philippinensis</i> and <i>E. deglupta</i> through complexation with FeSO<sub>4</sub> mordant. Flavonoids from the yellow-colored <i>D. philippinensis</i> extracts were found to be similar to those in <i>Terminalia catappa</i>, a known traditional dye source. A higher intensity of epicatechin in <i>E. deglupta</i> produced a red-brown color in the presence of Cu<sup>2+</sup>. Furthermore, <i>Syzygium</i> fruit peels have poor wash-fastness in cotton fibers, but bioactive chalcone unique to <i>S. samarangense</i> samples may be a potential nutritional food colorant. Unsupervised PCA and supervised OPLS-DA chemometrics distinguished chemical features that affect dyeing properties beyond the observed color. These findings, along with growing data on natural dyes, could guide future research on sustainable colorants.Ralph John Emerson J. MolinoKlidel Fae B. RellinRicky B. NellasHiyas A. JunioMDPI AGarticlenatural colorantsultrahigh-performance liquid chromatography–high resolution mass spectrometry (UHPLC–HRMS)metabolomicsGNPSmolecular networkingOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6645, p 6645 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	natural colorants ultrahigh-performance liquid chromatography–high resolution mass spectrometry (UHPLC–HRMS) metabolomics GNPS molecular networking Organic chemistry QD241-441
spellingShingle	natural colorants ultrahigh-performance liquid chromatography–high resolution mass spectrometry (UHPLC–HRMS) metabolomics GNPS molecular networking Organic chemistry QD241-441 Ralph John Emerson J. Molino Klidel Fae B. Rellin Ricky B. Nellas Hiyas A. Junio Sustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics
description	Underutilized biowaste materials are investigated for their potential as sustainable textile colorants through an approach based on mass spectrometry, bioinformatics, and chemometrics. In this study, colorful decoctions were prepared from the outer bark of <i>Eucalyptus deglupta</i> and fruit peels of <i>Syzygium samarangense, Syzygium malaccense, Diospyros discolor</i>, and <i>Dillenia philippinensis.</i> Textile dyeing was performed along with liquid chromatography–mass spectrometry (LC–MS)-based untargeted metabolomics to determine the small molecules responsible for the observed colors. Global Natural Products Social Molecular Networking (GNPS) guided the annotation of black-producing proanthocyanidins in <i>D. philippinensis</i> and <i>E. deglupta</i> through complexation with FeSO<sub>4</sub> mordant. Flavonoids from the yellow-colored <i>D. philippinensis</i> extracts were found to be similar to those in <i>Terminalia catappa</i>, a known traditional dye source. A higher intensity of epicatechin in <i>E. deglupta</i> produced a red-brown color in the presence of Cu<sup>2+</sup>. Furthermore, <i>Syzygium</i> fruit peels have poor wash-fastness in cotton fibers, but bioactive chalcone unique to <i>S. samarangense</i> samples may be a potential nutritional food colorant. Unsupervised PCA and supervised OPLS-DA chemometrics distinguished chemical features that affect dyeing properties beyond the observed color. These findings, along with growing data on natural dyes, could guide future research on sustainable colorants.
format	article
author	Ralph John Emerson J. Molino Klidel Fae B. Rellin Ricky B. Nellas Hiyas A. Junio
author_facet	Ralph John Emerson J. Molino Klidel Fae B. Rellin Ricky B. Nellas Hiyas A. Junio
author_sort	Ralph John Emerson J. Molino
title	Sustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics
title_short	Sustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics
title_full	Sustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics
title_fullStr	Sustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics
title_full_unstemmed	Sustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics
title_sort	sustainable hues: exploring the molecular palette of biowaste dyes through lc-ms metabolomics
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/1255c782db504320ad7ef539e2716087
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Sustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics

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