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Modeling lignin polymerization, I: simulation model of dehydrogenation polymers

Frederik van Parijs UGent, Kris Morreel UGent, John Ralph, Wout Boerjan UGent and Roeland Merks UGent (2010) PLANT PHYSIOLOGY. 153(3). p.1332-1344
abstract
Lignin is a heteropolymer that is thought to form in the cell wall by combinatorial radical coupling of monolignols. Here, we present a simulation model of in vitro lignin polymerization, based on the combinatorial coupling theory, which allows us to predict the reaction conditions controlling the primary structure of lignin polymers. Our model predicts two controlling factors for the beta-O-4 content of syringyl-guaiacyl lignins: the supply rate of monolignols and the relative amount of supplied sinapyl alcohol monomers. We have analyzed the in silico degradability of the resulting lignin polymers by cutting the resulting lignin polymers at beta-O-4 bonds. These are cleaved in analytical methods used to study lignin composition, namely thioacidolysis and derivatization followed by reductive cleavage, under pulping conditions, and in some lignocellulosic biomass pretreatments.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
CELLULOSE, CHEMISTRY, LIGNIFICATION, COMPUTER SIMREL, PULPING EFFICIENCY, GUAIACYL, POPLAR, BIOSYNTHESIS, SYRINGYL, MONOMERS
journal title
PLANT PHYSIOLOGY
Plant Physiol.
volume
153
issue
3
pages
1332 - 1344
Web of Science type
Article
Web of Science id
000279400200035
JCR category
PLANT SCIENCES
JCR impact factor
6.451 (2010)
JCR rank
8/185 (2010)
JCR quartile
1 (2010)
ISSN
0032-0889
DOI
10.1104/pp.110.154468
language
English
UGent publication?
yes
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
1038821
handle
http://hdl.handle.net/1854/LU-1038821
date created
2010-09-08 19:12:34
date last changed
2012-09-19 14:04:03
@article{1038821,
  abstract     = {Lignin is a heteropolymer that is thought to form in the cell wall by combinatorial radical coupling of monolignols. Here, we present a simulation model of in vitro lignin polymerization, based on the combinatorial coupling theory, which allows us to predict the reaction conditions controlling the primary structure of lignin polymers. Our model predicts two controlling factors for the beta-O-4 content of syringyl-guaiacyl lignins: the supply rate of monolignols and the relative amount of supplied sinapyl alcohol monomers. We have analyzed the in silico degradability of the resulting lignin polymers by cutting the resulting lignin polymers at beta-O-4 bonds. These are cleaved in analytical methods used to study lignin composition, namely thioacidolysis and derivatization followed by reductive cleavage, under pulping conditions, and in some lignocellulosic biomass pretreatments.},
  author       = {van Parijs, Frederik and Morreel, Kris and Ralph, John and Boerjan, Wout and Merks, Roeland},
  issn         = {0032-0889},
  journal      = {PLANT PHYSIOLOGY},
  keyword      = {CELLULOSE,CHEMISTRY,LIGNIFICATION,COMPUTER SIMREL,PULPING EFFICIENCY,GUAIACYL,POPLAR,BIOSYNTHESIS,SYRINGYL,MONOMERS},
  language     = {eng},
  number       = {3},
  pages        = {1332--1344},
  title        = {Modeling lignin polymerization, I: simulation model of dehydrogenation polymers},
  url          = {http://dx.doi.org/10.1104/pp.110.154468},
  volume       = {153},
  year         = {2010},
}

Chicago
van Parijs, Frederik, Kris Morreel, John Ralph, Wout Boerjan, and Roeland Merks. 2010. “Modeling Lignin Polymerization, I: Simulation Model of Dehydrogenation Polymers.” Plant Physiology 153 (3): 1332–1344.
APA
van Parijs, F., Morreel, K., Ralph, J., Boerjan, W., & Merks, R. (2010). Modeling lignin polymerization, I: simulation model of dehydrogenation polymers. PLANT PHYSIOLOGY, 153(3), 1332–1344.
Vancouver
1.
van Parijs F, Morreel K, Ralph J, Boerjan W, Merks R. Modeling lignin polymerization, I: simulation model of dehydrogenation polymers. PLANT PHYSIOLOGY. 2010;153(3):1332–44.
MLA
van Parijs, Frederik, Kris Morreel, John Ralph, et al. “Modeling Lignin Polymerization, I: Simulation Model of Dehydrogenation Polymers.” PLANT PHYSIOLOGY 153.3 (2010): 1332–1344. Print.