Optimizing ethanol production selectivity

Raman Lall; Timothy J. Donohue; Simeone Marino; Julie C. Mitchell

doi:10.1016/j.mcm.2010.01.016

Optimizing ethanol production selectivity

Raman Lall
, Timothy J. Donohue
, Simeone Marino
, Julie C. Mitchell

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

Lactococcus lactis metabolizes glucose homofermentatively to lactate. However, after disruption of the gene coding for lactate dehydrogenase, LDH, a key enzyme in NAD⁺ regeneration, the glycolytic flux shifts from homolactic to mixed-acid fermentation with the redirection of pyruvate towards production of formate, acetate, ethanol and CO₂. A mathematical model of the pyruvate metabolism pathway that enhances ethanol production was developed from in vivo Nuclear Magnetic Resonance (NMR) time-series measurements that describe the dynamics of the metabolites in L. lactis. Both Michaelis-Menten and S-system models capture the observed in vivo dynamics of the glycolysis pathway in L. lactis, while prior models describe only the in vitro dynamics. The models provide insight into the maximization of selectivity of ethanol with respect to acetate and CO₂ as undesired products in multiple reactions. High concentrations of NADH and acetyl-CoA and low concentrations of pyruvate and NAD appear to maximize ethanol selectivity.

Original language	English
Pages (from-to)	1363-1373
Number of pages	11
Journal	Mathematical and Computer Modelling
Volume	53
Issue number	7-8
DOIs	https://doi.org/10.1016/j.mcm.2010.01.016
State	Published - Apr 2011
Externally published	Yes

Funding

This work was supported by the BACTER Institute through a grant from the US Department of Energy as part of the Genomics: GTL program (DE-FG02-04ER25627). The authors also thank Daniel Noguera and Laura Vanderploeg of the University of Wisconsin for support during the project. Appendix A

Keywords

Ethanol production
Glycolysis pathway
Michaelis-Menten
S-systems
Selectivity maximization

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10.1016/j.mcm.2010.01.016

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title = "Optimizing ethanol production selectivity",

abstract = "Lactococcus lactis metabolizes glucose homofermentatively to lactate. However, after disruption of the gene coding for lactate dehydrogenase, LDH, a key enzyme in NAD+ regeneration, the glycolytic flux shifts from homolactic to mixed-acid fermentation with the redirection of pyruvate towards production of formate, acetate, ethanol and CO2. A mathematical model of the pyruvate metabolism pathway that enhances ethanol production was developed from in vivo Nuclear Magnetic Resonance (NMR) time-series measurements that describe the dynamics of the metabolites in L. lactis. Both Michaelis-Menten and S-system models capture the observed in vivo dynamics of the glycolysis pathway in L. lactis, while prior models describe only the in vitro dynamics. The models provide insight into the maximization of selectivity of ethanol with respect to acetate and CO2 as undesired products in multiple reactions. High concentrations of NADH and acetyl-CoA and low concentrations of pyruvate and NAD appear to maximize ethanol selectivity.",

keywords = "Ethanol production, Glycolysis pathway, Michaelis-Menten, S-systems, Selectivity maximization",

author = "Raman Lall and Donohue, \{Timothy J.\} and Simeone Marino and Mitchell, \{Julie C.\}",

year = "2011",

month = apr,

doi = "10.1016/j.mcm.2010.01.016",

language = "English",

volume = "53",

pages = "1363--1373",

journal = "Mathematical and Computer Modelling",

issn = "0895-7177",

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TY - JOUR

T1 - Optimizing ethanol production selectivity

AU - Lall, Raman

AU - Donohue, Timothy J.

AU - Marino, Simeone

AU - Mitchell, Julie C.

PY - 2011/4

Y1 - 2011/4

N2 - Lactococcus lactis metabolizes glucose homofermentatively to lactate. However, after disruption of the gene coding for lactate dehydrogenase, LDH, a key enzyme in NAD+ regeneration, the glycolytic flux shifts from homolactic to mixed-acid fermentation with the redirection of pyruvate towards production of formate, acetate, ethanol and CO2. A mathematical model of the pyruvate metabolism pathway that enhances ethanol production was developed from in vivo Nuclear Magnetic Resonance (NMR) time-series measurements that describe the dynamics of the metabolites in L. lactis. Both Michaelis-Menten and S-system models capture the observed in vivo dynamics of the glycolysis pathway in L. lactis, while prior models describe only the in vitro dynamics. The models provide insight into the maximization of selectivity of ethanol with respect to acetate and CO2 as undesired products in multiple reactions. High concentrations of NADH and acetyl-CoA and low concentrations of pyruvate and NAD appear to maximize ethanol selectivity.

AB - Lactococcus lactis metabolizes glucose homofermentatively to lactate. However, after disruption of the gene coding for lactate dehydrogenase, LDH, a key enzyme in NAD+ regeneration, the glycolytic flux shifts from homolactic to mixed-acid fermentation with the redirection of pyruvate towards production of formate, acetate, ethanol and CO2. A mathematical model of the pyruvate metabolism pathway that enhances ethanol production was developed from in vivo Nuclear Magnetic Resonance (NMR) time-series measurements that describe the dynamics of the metabolites in L. lactis. Both Michaelis-Menten and S-system models capture the observed in vivo dynamics of the glycolysis pathway in L. lactis, while prior models describe only the in vitro dynamics. The models provide insight into the maximization of selectivity of ethanol with respect to acetate and CO2 as undesired products in multiple reactions. High concentrations of NADH and acetyl-CoA and low concentrations of pyruvate and NAD appear to maximize ethanol selectivity.

KW - Ethanol production

KW - Glycolysis pathway

KW - Michaelis-Menten

KW - S-systems

KW - Selectivity maximization

UR - https://www.scopus.com/pages/publications/79951579832

U2 - 10.1016/j.mcm.2010.01.016

DO - 10.1016/j.mcm.2010.01.016

M3 - Article

AN - SCOPUS:79951579832

SN - 0895-7177

VL - 53

SP - 1363

EP - 1373

JO - Mathematical and Computer Modelling

JF - Mathematical and Computer Modelling

IS - 7-8

ER -

Optimizing ethanol production selectivity

Abstract

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Keywords

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