skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Integration of a constraint-based metabolic model of Brassica napus developing seeds with 13C-metabolic flux analysis

Journal Article · · Frontiers in Plant Science
 [1];  [1];  [2];  [1];  [2];  [1]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States). Biological, Environmental & Climate Sciences Dept.
  2. Leibniz Inst. for Plant Genetics and Culture Plant Research (IPK), Gatersleben (Germany)

The use of large-scale or genome-scale metabolic reconstructions for modeling and simulation of plant metabolism and integration of those models with large-scale omics and experimental flux data is becoming increasingly important in plant metabolic research. Here we report an updated version of bna572, a bottom-up reconstruction of oilseed rape (Brassica napus L.; Brassicaceae) developing seeds with emphasis on representation of biomass-component biosynthesis. New features include additional seed-relevant pathways for isoprenoid, sterol, phenylpropanoid, flavonoid, and choline biosynthesis. Being now based on standardized data formats and procedures for model reconstruction, bna572+ is available as a COBRA-compliant Systems Biology Markup Language (SBML) model and conforms to the Minimum Information Requested in the Annotation of Biochemical Models (MIRIAM) standards for annotation of external data resources. Bna572+ contains 966 genes, 671 reactions, and 666 metabolites distributed among 11 subcellular compartments. It is referenced to the Arabidopsis thaliana genome, with gene-protein-reaction (GPR) associations resolving subcellular localization. Detailed mass and charge balancing and confidence scoring were applied to all reactions. Using B. napus seed specific transcriptome data, expression was verified for 78% of bna572+ genes and 97% of reactions. Alongside bna572+ we also present a revised carbon centric model for 13C-Metabolic Flux Analysis (13C-MFA) with all its reactions being referenced to bna572+ based on linear projections. By integration of flux ratio constraints obtained from 13C-MFA and by elimination of infinite flux bounds around thermodynamically infeasible loops based on COBRA loopless methods, we demonstrate improvements in predictive power of Flux Variability Analysis (FVA). In conclusion, using this combined approach we characterize the difference in metabolic flux of developing seeds of two B. napus genotypes contrasting in starch and oil content.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC00112704; AC0298CH10886
OSTI ID:
1178233
Report Number(s):
BNL-106138-2015-JA; R&D Project: BO-133; KC0304000
Journal Information:
Frontiers in Plant Science, Vol. 5; ISSN 1664-462X
Publisher:
Frontiers Research FoundationCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 28 works
Citation information provided by
Web of Science

References (92)

Integration of gene expression data into genome-scale metabolic models journal October 2004
Systematics and phylogeny of the Brassicaceae (Cruciferae): an overview journal June 2006
Gapped BLAST and PSI-BLAST: a new generation of protein database search programs journal September 1997
Bottom-up Metabolic Reconstruction of Arabidopsis and Its Application to Determining the Metabolic Costs of Enzyme Production journal May 2014
Plastidial NAD-Dependent Malate Dehydrogenase Is Critical for Embryo Development and Heterotrophic Metabolism in Arabidopsis journal January 2014
expa: a program for calculating extreme pathways in biochemical reaction networks journal December 2004
Integration of expression data in genome-scale metabolic network reconstructions journal January 2012
Sampling the Solution Space in Genome-Scale Metabolic Networks Reveals Transcriptional Regulation in Key Enzymes journal July 2010
Seed Architecture Shapes Embryo Metabolism in Oilseed Rape journal May 2013
LibSBML: an API Library for SBML journal February 2008
Flux balance analysis of primary metabolism in Chlamydomonas reinhardtii journal January 2009
Path2Models: large-scale generation of computational models from biochemical pathway maps journal January 2013
Optknock: A bilevel programming framework for identifying gene knockout strategies for microbial strain optimization journal October 2003
Metabolic network reconstruction of Chlamydomonas offers insight into light‐driven algal metabolism journal January 2011
Syntenic gene analysis between Brassica rapa and other Brassicaceae species journal January 2012
A Diel Flux Balance Model Captures Interactions between Light and Dark Metabolism during Day-Night Cycles in C 3 and Crassulacean Acid Metabolism Leaves journal March 2014
A method for accounting for maintenance costs in flux balance analysis improves the prediction of plant cell metabolic phenotypes under stress conditions journal August 2013
Incorporating metabolic flux ratios into constraint-based flux analysis by using artificial metabolites and converging ratio determinants journal May 2007
Are we ready for genome-scale modeling in plants? journal August 2012
Role of Transcriptional Regulation in Controlling Fluxes in Central Carbon Metabolism of Saccharomyces cerevisiae : A CHEMOSTAT CULTURE STUDY journal November 2003
Proteomic Comparison of Plastids from Developing Embryos and Leaves of Brassica napus journal May 2011
Plant genome-scale metabolic reconstruction and modelling journal April 2013
AraGEM, a Genome-Scale Reconstruction of the Primary Metabolic Network in Arabidopsis journal December 2009
C4GEM, a Genome-Scale Metabolic Model to Study C 4 Plant Metabolism journal October 2010
COBRApy: COnstraints-Based Reconstruction and Analysis for Python journal January 2013
The Plastidic Pentose Phosphate Translocator Represents a Link between the Cytosolic and the Plastidic Pentose Phosphate Pathways in Plants journal February 2002
Expansion and subfunctionalisation of flavonoid 3',5'-hydroxylases in the grapevine lineage journal January 2010
Tissue-Specific Distribution of Secondary Metabolites in Rapeseed (Brassica napus L.) journal October 2012
Changes in Tocopherol and Plastochromanol-8 Contents in Seeds and Oil of Oilseed Rape ( Brassica n apus L.) during Storage As Influenced by Temperature and Air Oxygen journal May 2000
Multiscale Metabolic Modeling: Dynamic Flux Balance Analysis on a Whole-Plant Scale journal August 2013
Flux Balance Analysis of Barley Seeds: A Computational Approach to Study Systemic Properties of Central Metabolism journal November 2008
Anthocyanin biosynthetic genes in Brassica rapa journal January 2014
Software platforms to facilitate reconstructing genome-scale metabolic networks: Software platforms for network reconstruction journal November 2013
Computational analysis of storage synthesis in developing Brassica napus L. (oilseed rape) embryos: flux variability analysis in relation to 13C metabolic flux analysis: Quantitative analysis of storage synthesis in oilseed rape journal May 2011
Metabolic network reconstruction and flux variability analysis of storage synthesis in developing oilseed rape (Brassica napus L.) embryos: Flux variability analysis of storage synthesis journal May 2011
Flux Variability Analysis: Application to Developing Oilseed Rape Embryos Using Toolboxes for Constraint-Based Modeling book October 2013
The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models journal March 2003
Identifiers.org and MIRIAM Registry: community resources to provide persistent identification journal December 2011
Metabolic modeling of Chlamydomonas reinhardtii: energy requirements for photoautotrophic growth and maintenance journal April 2011
Elucidating Rice Cell Metabolism under Flooding and Drought Stresses Using Flux-Based Modeling and Analysis journal June 2013
Minimum information requested in the annotation of biochemical models (MIRIAM) journal December 2005
In silico method for modelling metabolism and gene product expression at genome scale journal January 2012
Constraining the metabolic genotype–phenotype relationship using a phylogeny of in silico methods journal February 2012
The Brassica oleracea genome reveals the asymmetrical evolution of polyploid genomes journal May 2014
Analysis of Metabolic Flux Phenotypes for Two Arabidopsis Mutants with Severe Impairment in Seed Storage Lipid Synthesis journal September 2009
Systematic Evaluation of Methods for Integration of Transcriptomic Data into Constraint-Based Models of Metabolism journal April 2014
The effects of alternate optimal solutions in constraint-based genome-scale metabolic models journal October 2003
Metabolic network analysis integrated with transcript verification for sequenced genomes journal July 2009
Genome-scale modeling using flux ratio constraints to enable metabolic engineering of clostridial metabolism in silico journal January 2012
Reconstruction of Arabidopsis metabolic network models accounting for subcellular compartmentalization and tissue-specificity journal December 2011
Predicting microbial growth journal June 2014
AraCyc: A Biochemical Pathway Database for Arabidopsis journal June 2003
Fast thermodynamically constrained flux variability analysis journal February 2013
A proof for loop-law constraints in stoichiometric metabolic networks journal January 2012
Prediction of metabolic fluxes by incorporating genomic context and flux-converging pattern analyses journal August 2010
An in silico compartmentalized metabolic model of Brassica napus enables the systemic study of regulatory aspects of plant central metabolism journal March 2011
Responses to Light Intensity in a Genome-Scale Model of Rice Metabolism journal May 2013
A Genome-Scale Metabolic Model of Arabidopsis and Some of Its Properties journal September 2009
Shrinking the Metabolic Solution Space Using Experimental Datasets journal August 2012
Phosphorylation of Arabidopsis transketolase at Ser428 provides a potential paradigm for the metabolic control of chloroplast carbon metabolism journal February 2014
Combined Noninvasive Imaging and Modeling Approaches Reveal Metabolic Compartmentation in the Barley Endosperm journal August 2011
Zea mays iRS1563: A Comprehensive Genome-Scale Metabolic Reconstruction of Maize Metabolism journal July 2011
Malate valves to balance cellular energy supply journal January 2004
Elimination of Thermodynamically Infeasible Loops in Steady-State Metabolic Models journal February 2011
BiGG: a Biochemical Genetic and Genomic knowledgebase of large scale metabolic reconstructions journal January 2010
Quantitative prediction of cellular metabolism with constraint-based models: the COBRA Toolbox v2.0 journal August 2011
BRENDA in 2013: integrated reactions, kinetic data, enzyme function data, improved disease classification: new options and contents in BRENDA journal November 2012
Metabolic flux analysis as a tool in metabolic engineering of plants journal April 2008
Experimental flux measurements on a network scale journal January 2011
Predictive Modeling of Biomass Component Tradeoffs in Brassica napus Developing Oilseeds Based on in Silico Manipulation of Storage Metabolism journal September 2012
Transcript abundance on its own cannot be used to infer fluxes in central metabolism journal November 2014
Probing in Vivo Metabolism by Stable Isotope Labeling of Storage Lipids and Proteins in Developing Brassica napus Embryos journal August 2002
High-throughput comparison, functional annotation, and metabolic modeling of plant genomes using the PlantSEED resource journal June 2014
Frontiers in metabolic reconstruction and modeling of plant genomes journal January 2012
The Plastid-Localized NAD-Dependent Malate Dehydrogenase Is Crucial for Energy Homeostasis in Developing Arabidopsis thaliana Seeds journal January 2014
The colorless flavonoids of Arabidopsis Thaliana (Brassicaceae). I. A model system to study the orthodihydroxy structure journal April 1998
Systems analysis of metabolic phenotypes: what have we learnt? journal April 2014
Flux-Balance Modeling of Plant Metabolism journal January 2011
SUBA3: a database for integrating experimentation and prediction to define the SUBcellular location of proteins in Arabidopsis journal November 2012
A protocol for generating a high-quality genome-scale metabolic reconstruction journal January 2010
rBioNet: A COBRA toolbox extension for reconstructing high-quality biochemical networks journal May 2011
Integration of Genome-Scale Modeling and Transcript Profiling Reveals Metabolic Pathways Underlying Light and Temperature Acclimation in Arabidopsis journal April 2013
The genome of the mesopolyploid crop species Brassica rapa journal August 2011
13CFLUX2—high-performance software suite for 13C-metabolic flux analysis journal October 2012
A Comprehensive Analysis of the NADP-Malic Enzyme Gene Family of Arabidopsis journal August 2005
Monte Carlo sampling can be used to determine the size and shape of the steady-state flux space journal June 2004
A Genome-Scale Metabolic Model Accurately Predicts Fluxes in Central Carbon Metabolism under Stress Conditions journal July 2010
The SuBliMinaL Toolbox: automating steps in the reconstruction of metabolic networks text January 2011
Mining of Miniature Transposable Elements in Brassica Species at BrassicaTED book January 2021
The SuBliMinaL Toolbox: automating steps in the reconstruction of metabolic networks journal June 2011
Comparative deep transcriptional profiling of four developing oilseeds: Transcriptional profiling of oilseeds journal October 2011
AlgaGEM – a genome-scale metabolic reconstruction of algae based on the Chlamydomonas reinhardtii genome journal January 2011

Cited By (6)

Fluxomics links cellular functional analyses to whole-plant phenotyping journal April 2017
A 13C isotope labeling method for the measurement of lignin metabolic flux in Arabidopsis stems journal June 2018
Shoot tip culture: a step towards 13C metabolite flux analysis of sink leaf metabolism journal May 2019
Modeling Rice Metabolism: From Elucidating Environmental Effects on Cellular Phenotype to Guiding Crop Improvement journal November 2016
Fast-SNP: a fast matrix pre-processing algorithm for efficient loopless flux optimization of metabolic models journal August 2016
Genome-Scale Model Reveals Metabolic Basis of Biomass Partitioning in a Model Diatom journal May 2016