Molecular Insight into the Cosolvent Effect on Lignin-Cellulose Adhesion

Langmuir : the ACS Journal of Surfaces and Colloids
Sonia Milena Aguilera-SeguraTzonka Mineva

Abstract

Understanding and controlling the physical adsorption of lignin compounds on cellulose pulp are key parameters in the successful optimization of organosolv processes. The effect of binary organic-aqueous solvents on the coordination of lignin to cellulose was studied with molecular dynamics simulations, considering ethanol and acetonitrile to be organic cosolvents in aqueous solutions in comparison to their monocomponent counterparts. The structures of the solvation shells around cellulose and lignin and the energetics of lignin-cellulose adhesion indicate a more effective disruption of lignin-cellulose binding by binary solvents. The synergic effect between solvent components is explained by their preferential interactions with lignin-cellulose complexes. In the presence of pure water, long-lasting H-bonds in the lignin-cellulose complex are observed, promoted by the nonfavorable interactions of lignin with water. Ethanol and acetonitrile compete with water and lignin for cellulose oxygen binding sites, causing a nonlinear decrease in the lignin-cellulose interactions with the amount of the organic component. This effect is modulated by the water exclusion from the cellulose solvation shell by the organic solvent component. Th...Continue Reading

References

Aug 1, 2002·Journal of the American Chemical Society·Yoshiharu NishiyamaHenri Chanzy
Mar 1, 1995·Plant Physiology·C. J. Houtman, R. H. Atalla
Oct 8, 2005·Journal of Computational Chemistry·David Van Der SpoelHerman J C Berendsen
Nov 22, 2005·Carbohydrate Research·James F MatthewsJohn W Brady
Jan 28, 2006·Science·Arthur J RagauskasTimothy Tschaplinski
Aug 19, 2006·Carbohydrate Research·Toshifumi YuiSachio Hayashi
May 13, 2008·Journal of Computational Chemistry·Olgun GuvenchAlexander D Mackerell
Aug 5, 2008·Journal of Computational Chemistry·Loukas Petridis, Jeremy C Smith
Feb 18, 2010·Journal of Chemical Theory and Computation·Olgun GuvenchAlexander D Mackerell
Mar 12, 2010·Chemical Reviews·Joseph ZakzeskiBert M Weckhuysen
Feb 23, 2011·The Journal of Physical Chemistry. B·James F MatthewsMichael F Crowley
Jul 30, 2011·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Loukas PetridisJeremy C Smith
Nov 1, 2011·Journal of the American Chemical Society·Loukas PetridisJeremy C Smith
Nov 9, 2011·Proceedings of the National Academy of Sciences of the United States of America·Anwesha N FernandesMichael C Jarvis
Jan 13, 2012·Bioinformatics·David van der SpoelCarl Caleman
Mar 16, 2012·Journal of Computational Chemistry·Thiago C F Gomes, Munir S Skaf
May 18, 2013·Biopolymers·Jodi A HaddenRobert J Woods
Nov 28, 2013·Journal of the American Chemical Society·Rodrigo L SilveiraAndriy Kovalenko
Oct 18, 2014·Biomacromolecules·Loukas PetridisJeremy C Smith
Jun 9, 2015·Scientific Reports·Sina Youssefian, Nima Rahbar
Oct 20, 2015·Bioresource Technology·Ming-Fei LiRun-Cang Sun
Nov 18, 2015·Journal of Chemical Theory and Computation·Jörg Sauter, Andrea Grafmüller
Feb 14, 2012·Journal of Chemical Theory and Computation·James F MatthewsMichael F Crowley
Oct 13, 2009·Journal of Chemical Theory and Computation·Roland SchulzJeremy C Smith
Dec 24, 2015·Biotechnology for Biofuels·Josh V VermaasJeremy C Smith
Jan 15, 2016·ChemSusChem·Loukas Petridis, Jeremy C Smith
Feb 11, 2016·Physical Chemistry Chemical Physics : PCCP·Micholas Dean SmithJeremy C Smith
Oct 25, 2016·The Plant Journal : for Cell and Molecular Biology·Jennie BerglundJakob Wohlert
Aug 3, 2016·Journal of the American Chemical Society·Barmak MostofianJeremy C Smith
Dec 27, 2016·Bioresource Technology·Aristides P CarneiroEugénia A Macedo
Mar 28, 2018·Interdisciplinary Sciences, Computational Life Sciences·Hui YangJames D Kubicki
Jul 16, 2019·Journal of the American Chemical Society·Abhishek S PatriCharles M Cai
Mar 30, 2020·Bioresource Technology·Petter Paulsen ThoresenPaul Christakopoulos
Jul 9, 2020·Proceedings of the National Academy of Sciences of the United States of America·Sai Venkatesh PingaliLoukas Petridis

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