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Experimental and Simulation Study of the Solvent Effects on the Intrinsic Properties of Spherical Lignin Nanoparticles

[Image: see text] Spherical lignin nanoparticles (LNPs) fabricated via nanoprecipitation of dissolved lignin are among the most attractive biomass-derived nanomaterials. Despite various studies exploring the methods to improve the uniformity of LNPs or seeking more application opportunities for LNPs...

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Autores principales: Zou, Tao, Nonappa, Nonappa, Khavani, Mohammad, Vuorte, Maisa, Penttilä, Paavo, Zitting, Aleksi, Valle-Delgado, Juan José, Elert, Anna Maria, Silbernagl, Dorothee, Balakshin, Mikhail, Sammalkorpi, Maria, Österberg, Monika
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8591612/
https://www.ncbi.nlm.nih.gov/pubmed/34723534
http://dx.doi.org/10.1021/acs.jpcb.1c05319
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author Zou, Tao
Nonappa, Nonappa
Khavani, Mohammad
Vuorte, Maisa
Penttilä, Paavo
Zitting, Aleksi
Valle-Delgado, Juan José
Elert, Anna Maria
Silbernagl, Dorothee
Balakshin, Mikhail
Sammalkorpi, Maria
Österberg, Monika
author_facet Zou, Tao
Nonappa, Nonappa
Khavani, Mohammad
Vuorte, Maisa
Penttilä, Paavo
Zitting, Aleksi
Valle-Delgado, Juan José
Elert, Anna Maria
Silbernagl, Dorothee
Balakshin, Mikhail
Sammalkorpi, Maria
Österberg, Monika
author_sort Zou, Tao
collection PubMed
description [Image: see text] Spherical lignin nanoparticles (LNPs) fabricated via nanoprecipitation of dissolved lignin are among the most attractive biomass-derived nanomaterials. Despite various studies exploring the methods to improve the uniformity of LNPs or seeking more application opportunities for LNPs, little attention has been given to the fundamental aspects of the solvent effects on the intrinsic properties of LNPs. In this study, we employed a variety of experimental techniques and molecular dynamics (MD) simulations to investigate the solvent effects on the intrinsic properties of LNPs. The LNPs were prepared from softwood Kraft lignin (SKL) using the binary solvents of aqueous acetone or aqueous tetrahydrofuran (THF) via nanoprecipitation. The internal morphology, porosity, and mechanical properties of the LNPs were analyzed with electron tomography (ET), small-angle X-ray scattering (SAXS), atomic force microscopy (AFM), and intermodulation AFM (ImAFM). We found that aqueous acetone resulted in smaller LNPs with higher uniformity compared to aqueous THF, mainly ascribing to stronger solvent–lignin interactions as suggested by MD simulation results and confirmed with aqueous 1,4-dioxane (DXN) and aqueous dimethyl sulfoxide (DMSO). More importantly, we report that both LNPs were compact particles with relatively homogeneous density distribution and very low porosity in the internal structure. The stiffness of the particles was independent of the size, and the Young’s modulus was in the range of 0.3–4 GPa. Overall, the fundamental understandings of LNPs gained in this study are essential for the design of LNPs with optimal performance in applications.
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spelling pubmed-85916122021-11-16 Experimental and Simulation Study of the Solvent Effects on the Intrinsic Properties of Spherical Lignin Nanoparticles Zou, Tao Nonappa, Nonappa Khavani, Mohammad Vuorte, Maisa Penttilä, Paavo Zitting, Aleksi Valle-Delgado, Juan José Elert, Anna Maria Silbernagl, Dorothee Balakshin, Mikhail Sammalkorpi, Maria Österberg, Monika J Phys Chem B [Image: see text] Spherical lignin nanoparticles (LNPs) fabricated via nanoprecipitation of dissolved lignin are among the most attractive biomass-derived nanomaterials. Despite various studies exploring the methods to improve the uniformity of LNPs or seeking more application opportunities for LNPs, little attention has been given to the fundamental aspects of the solvent effects on the intrinsic properties of LNPs. In this study, we employed a variety of experimental techniques and molecular dynamics (MD) simulations to investigate the solvent effects on the intrinsic properties of LNPs. The LNPs were prepared from softwood Kraft lignin (SKL) using the binary solvents of aqueous acetone or aqueous tetrahydrofuran (THF) via nanoprecipitation. The internal morphology, porosity, and mechanical properties of the LNPs were analyzed with electron tomography (ET), small-angle X-ray scattering (SAXS), atomic force microscopy (AFM), and intermodulation AFM (ImAFM). We found that aqueous acetone resulted in smaller LNPs with higher uniformity compared to aqueous THF, mainly ascribing to stronger solvent–lignin interactions as suggested by MD simulation results and confirmed with aqueous 1,4-dioxane (DXN) and aqueous dimethyl sulfoxide (DMSO). More importantly, we report that both LNPs were compact particles with relatively homogeneous density distribution and very low porosity in the internal structure. The stiffness of the particles was independent of the size, and the Young’s modulus was in the range of 0.3–4 GPa. Overall, the fundamental understandings of LNPs gained in this study are essential for the design of LNPs with optimal performance in applications. American Chemical Society 2021-11-01 2021-11-11 /pmc/articles/PMC8591612/ /pubmed/34723534 http://dx.doi.org/10.1021/acs.jpcb.1c05319 Text en © 2021 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Zou, Tao
Nonappa, Nonappa
Khavani, Mohammad
Vuorte, Maisa
Penttilä, Paavo
Zitting, Aleksi
Valle-Delgado, Juan José
Elert, Anna Maria
Silbernagl, Dorothee
Balakshin, Mikhail
Sammalkorpi, Maria
Österberg, Monika
Experimental and Simulation Study of the Solvent Effects on the Intrinsic Properties of Spherical Lignin Nanoparticles
title Experimental and Simulation Study of the Solvent Effects on the Intrinsic Properties of Spherical Lignin Nanoparticles
title_full Experimental and Simulation Study of the Solvent Effects on the Intrinsic Properties of Spherical Lignin Nanoparticles
title_fullStr Experimental and Simulation Study of the Solvent Effects on the Intrinsic Properties of Spherical Lignin Nanoparticles
title_full_unstemmed Experimental and Simulation Study of the Solvent Effects on the Intrinsic Properties of Spherical Lignin Nanoparticles
title_short Experimental and Simulation Study of the Solvent Effects on the Intrinsic Properties of Spherical Lignin Nanoparticles
title_sort experimental and simulation study of the solvent effects on the intrinsic properties of spherical lignin nanoparticles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8591612/
https://www.ncbi.nlm.nih.gov/pubmed/34723534
http://dx.doi.org/10.1021/acs.jpcb.1c05319
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