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Modeling lignin polymerization, I: simulation model of dehydrogenation polymers

(2010) PLANT PHYSIOLOGY. 153(3). p.1332-1344
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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.
Keywords
CELLULOSE, CHEMISTRY, LIGNIFICATION, COMPUTER SIMREL, PULPING EFFICIENCY, GUAIACYL, POPLAR, BIOSYNTHESIS, SYRINGYL, MONOMERS

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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, Frederik, 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.
@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},
}

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