Mathematical models of lignin biosynthesis
Abstract
Lignin is a natural polymer that is interwoven with cellulose and hemicellulose within plant cell walls. Due to this molecular arrangement, lignin is a major contributor to the recalcitrance of plant materials with respect to the extraction of sugars and their fermentation into ethanol, butanol, and other potential bioenergy crops. The lignin biosynthetic pathway is similar, but not identical in different plant species. It is in each case comprised of a moderate number of enzymatic steps, but its responses to manipulations, such as gene knock-downs, are complicated by the fact that several of the key enzymes are involved in several reaction steps. This feature poses a challenge to bioenergy production, as it renders it difficult to select the most promising combinations of genetic manipulations for the optimization of lignin composition and amount.Here, we present several computational models than can aid in the analysis of data characterizing lignin biosynthesis. While minimizing technical details, we focus on the questions of what types of data are particularly useful for modeling and what genuine benefits the biofuel researcher may gain from the resulting models. We demonstrate our analysis with mathematical models for black cottonwood (Populus trichocarpa), alfalfa (Medicago truncatula), switchgrass (Panicum virgatum) and themore »
- Authors:
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Biological and Environmental Research (BER)
- OSTI Identifier:
- 1618715
- Alternate Identifier(s):
- OSTI ID: 1432148
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Published Article
- Journal Name:
- Biotechnology for Biofuels
- Additional Journal Information:
- Journal Name: Biotechnology for Biofuels Journal Volume: 11 Journal Issue: 1; Journal ID: ISSN 1754-6834
- Publisher:
- Springer Science + Business Media
- Country of Publication:
- Netherlands
- Language:
- English
- Subject:
- 59 BASIC BIOLOGICAL SCIENCES
Citation Formats
Faraji, Mojdeh, Fonseca, Luis L., Escamilla-Treviño, Luis, Barros-Rios, Jaime, Engle, Nancy, Yang, Zamin K., Tschaplinski, Timothy J., Dixon, Richard A., and Voit, Eberhard O. Mathematical models of lignin biosynthesis. Netherlands: N. p., 2018.
Web. doi:10.1186/s13068-018-1028-9.
Faraji, Mojdeh, Fonseca, Luis L., Escamilla-Treviño, Luis, Barros-Rios, Jaime, Engle, Nancy, Yang, Zamin K., Tschaplinski, Timothy J., Dixon, Richard A., & Voit, Eberhard O. Mathematical models of lignin biosynthesis. Netherlands. https://doi.org/10.1186/s13068-018-1028-9
Faraji, Mojdeh, Fonseca, Luis L., Escamilla-Treviño, Luis, Barros-Rios, Jaime, Engle, Nancy, Yang, Zamin K., Tschaplinski, Timothy J., Dixon, Richard A., and Voit, Eberhard O. Fri .
"Mathematical models of lignin biosynthesis". Netherlands. https://doi.org/10.1186/s13068-018-1028-9.
@article{osti_1618715,
title = {Mathematical models of lignin biosynthesis},
author = {Faraji, Mojdeh and Fonseca, Luis L. and Escamilla-Treviño, Luis and Barros-Rios, Jaime and Engle, Nancy and Yang, Zamin K. and Tschaplinski, Timothy J. and Dixon, Richard A. and Voit, Eberhard O.},
abstractNote = {Lignin is a natural polymer that is interwoven with cellulose and hemicellulose within plant cell walls. Due to this molecular arrangement, lignin is a major contributor to the recalcitrance of plant materials with respect to the extraction of sugars and their fermentation into ethanol, butanol, and other potential bioenergy crops. The lignin biosynthetic pathway is similar, but not identical in different plant species. It is in each case comprised of a moderate number of enzymatic steps, but its responses to manipulations, such as gene knock-downs, are complicated by the fact that several of the key enzymes are involved in several reaction steps. This feature poses a challenge to bioenergy production, as it renders it difficult to select the most promising combinations of genetic manipulations for the optimization of lignin composition and amount.Here, we present several computational models than can aid in the analysis of data characterizing lignin biosynthesis. While minimizing technical details, we focus on the questions of what types of data are particularly useful for modeling and what genuine benefits the biofuel researcher may gain from the resulting models. We demonstrate our analysis with mathematical models for black cottonwood (Populus trichocarpa), alfalfa (Medicago truncatula), switchgrass (Panicum virgatum) and the grass Brachypodium distachyon. Despite commonality in pathway structure, different plant species show different regulatory features and distinct spatial and topological characteristics. The putative lignin biosynthes pathway is not able to explain the plant specific laboratory data, and the necessity of plant specific modeling should be heeded.},
doi = {10.1186/s13068-018-1028-9},
journal = {Biotechnology for Biofuels},
number = 1,
volume = 11,
place = {Netherlands},
year = {Fri Feb 09 00:00:00 EST 2018},
month = {Fri Feb 09 00:00:00 EST 2018}
}
https://doi.org/10.1186/s13068-018-1028-9
Web of Science
Works referenced in this record:
Lignin Biosynthesis
journal, June 2003
- Boerjan, Wout; Ralph, John; Baucher, Marie
- Annual Review of Plant Biology, Vol. 54, Issue 1, p. 519-546
New types of experimental data shape the use of enzyme kinetics for dynamic network modeling
journal, November 2013
- Tummler, Katja; Lubitz, Timo; Schelker, Max
- FEBS Journal, Vol. 281, Issue 2
Improving Bioenergy Crops through Dynamic Metabolic Modeling
journal, October 2017
- Faraji, Mojdeh; Voit, Eberhard O.
- Processes, Vol. 5, Issue 4
Stepwise inference of likely dynamic flux distributions from metabolic time series data
journal, March 2017
- Faraji, Mojdeh; Voit, Eberhard O.
- Bioinformatics, Vol. 33, Issue 14
Multiscale Metabolic Modeling of C4 Plants: Connecting Nonlinear Genome-Scale Models to Leaf-Scale Metabolism in Developing Maize Leaves
journal, March 2016
- Bogart, Eli; Myers, Christopher R.
- PLOS ONE, Vol. 11, Issue 3
Biochemical systems analysis
journal, December 1969
- Savageau, Michael A.
- Journal of Theoretical Biology, Vol. 25, Issue 3
Computational inference of the structure and regulation of the lignin pathway in Panicum virgatum
journal, September 2015
- Faraji, Mojdeh; Fonseca, Luis L.; Escamilla-Treviño, Luis
- Biotechnology for Biofuels, Vol. 8, Issue 1
AraGEM, a Genome-Scale Reconstruction of the Primary Metabolic Network in Arabidopsis
journal, December 2009
- de Oliveira Dal'Molin, Cristiana Gomes; Quek, Lake-Ee; Palfreyman, Robin William
- Plant Physiology, Vol. 152, Issue 2
Crops In Silico: Generating Virtual Crops Using an Integrative and Multi-scale Modeling Platform
journal, May 2017
- Marshall-Colon, Amy; Long, Stephen P.; Allen, Douglas K.
- Frontiers in Plant Science, Vol. 8
Analysis of optimality in natural and perturbed metabolic networks
journal, November 2002
- Segre, D.; Vitkup, D.; Church, G. M.
- Proceedings of the National Academy of Sciences, Vol. 99, Issue 23
Role of bifunctional ammonia-lyase in grass cell wall biosynthesis
journal, May 2016
- Barros, Jaime; Serrani-Yarce, Juan C.; Chen, Fang
- Nature Plants, Vol. 2, Issue 6
Lignin isolated from primary walls of hybrid aspen cell cultures indicates significant differences in lignin structure between primary and secondary cell wall
journal, August 2005
- Christiernin, Maria; Ohlsson, Anna B.; Berglund, Torkel
- Plant Physiology and Biochemistry, Vol. 43, Issue 8
Towards multiscale plant models: integrating cellular networks
journal, December 2012
- Baldazzi, Valentina; Bertin, Nadia; de Jong, Hidde
- Trends in Plant Science, Vol. 17, Issue 12
Plant genome-scale metabolic reconstruction and modelling
journal, April 2013
- de Oliveira Dal’Molin, Cristiana Gomes; Nielsen, Lars Keld
- Current Opinion in Biotechnology, Vol. 24, Issue 2
Caffeoyl Shikimate Esterase (CSE) Is an Enzyme in the Lignin Biosynthetic Pathway in Arabidopsis
journal, August 2013
- Vanholme, R.; Cesarino, I.; Rataj, K.
- Science, Vol. 341, Issue 6150
Multiscale Metabolic Modeling: Dynamic Flux Balance Analysis on a Whole-Plant Scale
journal, August 2013
- Grafahrend-Belau, E.; Junker, A.; Eschenroder, A.
- PLANT PHYSIOLOGY, Vol. 163, Issue 2
Testing Biochemistry Revisited: How In Vivo Metabolism Can Be Understood from In Vitro Enzyme Kinetics
journal, April 2012
- van Eunen, Karen; Kiewiet, José A. L.; Westerhoff, Hans V.
- PLoS Computational Biology, Vol. 8, Issue 4
Biochemical Systems Theory: A Review
journal, January 2013
- Voit, Eberhard O.
- ISRN Biomathematics, Vol. 2013
Metabolic network reconstruction of Chlamydomonas offers insight into light‐driven algal metabolism
journal, January 2011
- Chang, Roger L.; Ghamsari, Lila; Manichaikul, Ani
- Molecular Systems Biology, Vol. 7, Issue 1
Mathematical modeling of monolignol biosynthesis in Populus xylem
journal, November 2010
- Lee, Yun; Voit, Eberhard O.
- Mathematical Biosciences, Vol. 228, Issue 1
Integrative Analysis of Transgenic Alfalfa (Medicago sativa L.) Suggests New Metabolic Control Mechanisms for Monolignol Biosynthesis
journal, May 2011
- Lee, Yun; Chen, Fang; Gallego-Giraldo, Lina
- PLoS Computational Biology, Vol. 7, Issue 5
Can yeast glycolysis be understood in terms of in vitro kinetics of the constituent enzymes? Testing biochemistry: Do we understand yeast glycolysis?
journal, September 2000
- Teusink, Bas; Passarge, Jutta; Reijenga, Corinne A.
- European Journal of Biochemistry, Vol. 267, Issue 17
Comprehensive classification and perspective for modelling photorespiratory metabolism
journal, April 2013
- Arnold, A.; Nikoloski, Z.
- Plant Biology, Vol. 15, Issue 4
A user-friendly means to scale from the biochemistry of photosynthesis to whole crop canopies and production in time and space - development of Java WIMOVAC: Development of Java WIMOVAC
journal, October 2016
- Song, Qingfeng; Chen, Dairui; Long, Stephen P.
- Plant, Cell & Environment, Vol. 40, Issue 1
Identification of Metabolic Pathway Systems
journal, February 2016
- Dolatshahi, Sepideh; Voit, Eberhard O.
- Frontiers in Genetics, Vol. 7
The best models of metabolism: The best models of metabolism
journal, May 2017
- Voit, Eberhard O.
- Wiley Interdisciplinary Reviews: Systems Biology and Medicine, Vol. 9, Issue 6
Regulation of Secondary Cell Wall Development by Cortical Microtubules during Tracheary Element Differentiation in Arabidopsis Cell Suspensions
journal, February 2005
- Oda, Yoshihisa; Mimura, Tetsuro; Hasezawa, Seiichiro
- Plant Physiology, Vol. 137, Issue 3
An indirect optimization method for biochemical systems: Description of method and application to the maximization of the rate of ethanol, glycerol, and carbohydrate production inSaccharomyces cerevisiae
journal, September 1997
- Torres, Néstor V.; Voit, Eberhard O.; Glez-Alcón, Carlos
- Biotechnology and Bioengineering, Vol. 55, Issue 5
What is flux balance analysis?
journal, March 2010
- Orth, Jeffrey D.; Thiele, Ines; Palsson, Bernhard Ø
- Nature Biotechnology, Vol. 28, Issue 3
The importance and challenges of in vivo-like enzyme kinetics
journal, May 2014
- van Eunen, Karen; Bakker, Barbara M.
- Perspectives in Science, Vol. 1, Issue 1-6
A Genomics Approach to Deciphering Lignin Biosynthesis in Switchgrass
journal, November 2013
- Shen, H.; Mazarei, M.; Hisano, H.
- The Plant Cell, Vol. 25, Issue 11
Complete Proteomic-Based Enzyme Reaction and Inhibition Kinetics Reveal How Monolignol Biosynthetic Enzyme Families Affect Metabolic Flux and Lignin in Populus trichocarpa
journal, March 2014
- Wang, Jack P.; Naik, Punith P.; Chen, Hsi-Chuan
- The Plant Cell, Vol. 26, Issue 3
Functional Analysis of Metabolic Channeling and Regulation in Lignin Biosynthesis: A Computational Approach
journal, November 2012
- Lee, Yun; Escamilla-Treviño, Luis; Dixon, Richard A.
- PLoS Computational Biology, Vol. 8, Issue 11
Molecular-Genetic Analysis of Plant Cytochrome P450-Dependent Monooxygenases
journal, June 1998
- Chapple, Clint
- Annual Review of Plant Physiology and Plant Molecular Biology, Vol. 49, Issue 1
Works referencing / citing this record:
Enzymatic basis for C‐lignin monomer biosynthesis in the seed coat of Cleome hassleriana
journal, May 2019
- Zhuo, Chunliu; Rao, Xiaolan; Azad, Rajeev
- The Plant Journal, Vol. 99, Issue 3
A dynamic model of lignin biosynthesis in Brachypodium distachyon
journal, September 2018
- Faraji, Mojdeh; Fonseca, Luis L.; Escamilla-Treviño, Luis
- Biotechnology for Biofuels, Vol. 11, Issue 1
Enzyme-Enzyme Interactions in Monolignol Biosynthesis
journal, January 2019
- Wang, Jack P.; Liu, Baoguang; Sun, Yi
- Frontiers in Plant Science, Vol. 9
Lignin biosynthesis: old roads revisited and new roads explored
journal, December 2019
- Dixon, Richard A.; Barros, Jaime
- Open Biology, Vol. 9, Issue 12