Integrated analysis of cellulose structure and properties using solid-state low-field H-NMR and photoacoustic spectroscopy

Abstract In this study, we explore the structural intricacies of cellulose, a polymer composed of glucose monomers arranged in a linear chain, primarily investigated through solid-state NMR techniques. Specifically, we employ low-field proton nuclear magnetic resonance (H-NMR) to delve into the dive...

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Main Authors: Levente Csóka, Worakan Csoka, Ella Tirronen, Ekaterina Nikolskaya, Yrjö Hiltunen, Bunsho Ohtani
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:Scientific Reports
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Online Access:https://doi.org/10.1038/s41598-024-80069-y
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author Levente Csóka
Worakan Csoka
Ella Tirronen
Ekaterina Nikolskaya
Yrjö Hiltunen
Bunsho Ohtani
author_facet Levente Csóka
Worakan Csoka
Ella Tirronen
Ekaterina Nikolskaya
Yrjö Hiltunen
Bunsho Ohtani
author_sort Levente Csóka
collection DOAJ
description Abstract In this study, we explore the structural intricacies of cellulose, a polymer composed of glucose monomers arranged in a linear chain, primarily investigated through solid-state NMR techniques. Specifically, we employ low-field proton nuclear magnetic resonance (H-NMR) to delve into the diverse hydrogen atom types within the cellulose molecule. The low-field H-NMR technique allows us to discern these hydrogen atoms based on their distinct chemical shifts, providing valuable insights into the various functional groups present in cellulose. Our focus extends to the examination of anomeric protons of glucose units and protons linked to carbon atoms engaged in glycosidic linkages within cellulose chains, which exist in diverse crystalline and amorphous forms. Solid-state low-field H-NMR spectroscopy aids in characterizing the crystallinity degrees and amorphous regions within cellulose, revealing time-dependent changes in free induction decay (FID) signals. Complementing this, we investigate the photo-absorption properties of cellulose fibers under both continuous and modulated irradiation using reversed double-beam photoacoustic spectroscopy (RDB-PAS). This photoacoustic approach allows us to observe ultraviolet- and visible light-induced processes, including electron trap filling and reductive changes on the fiber surface. Our findings suggest that RDB-PAS is a feasible method for estimating the electron trap distribution, serving as a potential measure of the density of crystalline cellulose defects. This integrated approach of combining solid-state low-field H-NMR and RDB-PAS techniques offers a comprehensive understanding of cellulose structure and properties, enhancing our ability to characterize its diverse features.
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spelling doaj-art-312e1d96008e4328989937f1bac5b3842025-01-19T12:22:18ZengNature PortfolioScientific Reports2045-23222025-01-011511910.1038/s41598-024-80069-yIntegrated analysis of cellulose structure and properties using solid-state low-field H-NMR and photoacoustic spectroscopyLevente Csóka0Worakan Csoka1Ella Tirronen2Ekaterina Nikolskaya3Yrjö Hiltunen4Bunsho Ohtani5Faculty of Informatics, ELTE Eötvös Loránd UniversityInstitute of Cellulose and Paper Technology, Celltech-Paper LtdFiberLaboratory, South-Eastern Finland University of Applied SciencesFiberLaboratory, South-Eastern Finland University of Applied SciencesFiberLaboratory, South-Eastern Finland University of Applied SciencesNonprofitable Organization Touche NPOAbstract In this study, we explore the structural intricacies of cellulose, a polymer composed of glucose monomers arranged in a linear chain, primarily investigated through solid-state NMR techniques. Specifically, we employ low-field proton nuclear magnetic resonance (H-NMR) to delve into the diverse hydrogen atom types within the cellulose molecule. The low-field H-NMR technique allows us to discern these hydrogen atoms based on their distinct chemical shifts, providing valuable insights into the various functional groups present in cellulose. Our focus extends to the examination of anomeric protons of glucose units and protons linked to carbon atoms engaged in glycosidic linkages within cellulose chains, which exist in diverse crystalline and amorphous forms. Solid-state low-field H-NMR spectroscopy aids in characterizing the crystallinity degrees and amorphous regions within cellulose, revealing time-dependent changes in free induction decay (FID) signals. Complementing this, we investigate the photo-absorption properties of cellulose fibers under both continuous and modulated irradiation using reversed double-beam photoacoustic spectroscopy (RDB-PAS). This photoacoustic approach allows us to observe ultraviolet- and visible light-induced processes, including electron trap filling and reductive changes on the fiber surface. Our findings suggest that RDB-PAS is a feasible method for estimating the electron trap distribution, serving as a potential measure of the density of crystalline cellulose defects. This integrated approach of combining solid-state low-field H-NMR and RDB-PAS techniques offers a comprehensive understanding of cellulose structure and properties, enhancing our ability to characterize its diverse features.https://doi.org/10.1038/s41598-024-80069-yCotton cellulose fibresSolid-state low-field proton NMRCrystallinityReversed double-beam photoacoustic spectroscopyElectron trapNon-radiative recombination
spellingShingle Levente Csóka
Worakan Csoka
Ella Tirronen
Ekaterina Nikolskaya
Yrjö Hiltunen
Bunsho Ohtani
Integrated analysis of cellulose structure and properties using solid-state low-field H-NMR and photoacoustic spectroscopy
Scientific Reports
Cotton cellulose fibres
Solid-state low-field proton NMR
Crystallinity
Reversed double-beam photoacoustic spectroscopy
Electron trap
Non-radiative recombination
title Integrated analysis of cellulose structure and properties using solid-state low-field H-NMR and photoacoustic spectroscopy
title_full Integrated analysis of cellulose structure and properties using solid-state low-field H-NMR and photoacoustic spectroscopy
title_fullStr Integrated analysis of cellulose structure and properties using solid-state low-field H-NMR and photoacoustic spectroscopy
title_full_unstemmed Integrated analysis of cellulose structure and properties using solid-state low-field H-NMR and photoacoustic spectroscopy
title_short Integrated analysis of cellulose structure and properties using solid-state low-field H-NMR and photoacoustic spectroscopy
title_sort integrated analysis of cellulose structure and properties using solid state low field h nmr and photoacoustic spectroscopy
topic Cotton cellulose fibres
Solid-state low-field proton NMR
Crystallinity
Reversed double-beam photoacoustic spectroscopy
Electron trap
Non-radiative recombination
url https://doi.org/10.1038/s41598-024-80069-y
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