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

• Published in: Molecules (Basel, Switzerland) Vol. 26; no. 21; p. 6645
• Main Authors: Molino, Ralph John Emerson J, Rellin, Klidel Fae B, Nellas, Ricky B, Junio, Hiyas A
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 02.11.2021; MDPI
• Subjects: Annotations; Bark; Bioinformatics; Biological Products; Chemometrics; Chromatography, High Pressure Liquid - methods; Color; Coloring agents; Coloring Agents - chemistry; Cotton fibers; Cultural heritage; Discoloration; Dyeing; Dyes; Epicatechin; Eucalyptus; Eucalyptus deglupta; Fibers; Flavonoids; Food dyes; Fruits; GNPS; Libraries; Liquid chromatography; Mass spectrometry; Mass spectroscopy; Medical Waste Disposal; Metabolites; Metabolomics; molecular networking; Molecular Structure; Molecular weight; Mordant dyes; natural colorants; Natural products; R&D; Research & development; Social organization; Spectroscopy; Sustainability; Syzygium samarangense; Tandem Mass Spectrometry - methods; Textile research; Textiles; ultrahigh-performance liquid chromatography–high resolution mass spectrometry (UHPLC–HRMS); Philippines; ultrahigh-performance liquid chromatography–high resolution mass spectrometry (UHPLC–HRMS); GNPS; molecular networking; metabolomics; natural colorants
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules26216645

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 and fruit peels of , and 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 and through complexation with FeSO mordant. Flavonoids from the yellow-colored extracts were found to be similar to those in , a known traditional dye source. A higher intensity of epicatechin in produced a red-brown color in the presence of Cu . Furthermore, fruit peels have poor wash-fastness in cotton fibers, but bioactive chalcone unique to 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.