MbT-Tool: An open-access tool based on Thermodynamic Electron Equivalents Model to obtain microbial-metabolic reactions to be used in biotechnological process
Open accessAbstract
Modelling cellular metabolism is a strategic factor in investigating microbial behaviour and interactions, especially for bio-technological processes. A key factor for modelling microbial activity is the calculation of nutrient amounts and products generated as a result of the microbial metabolism. Representing metabolic pathways through balanced reactions is a complex and time-consuming task for biologists, ecologists, modellers and engineers. A new computational tool to represent microbial pathways through microbial metabolic reactions (MMRs) using the approach of the Thermodynamic Electron Equivalents Model has been designed and implemented in the open-access framework NetLogo. This computational tool, called MbT-Tool (Metabolism based on Thermodynamics) can write MMRs for different microbial functional groups, such as aerobic heterotrophs, nitrifiers, denitrifiers, methanogens, sulphate reducers, sulphide oxidizers and fermenters. The MbT-Tool's code contains eighteen organic and twenty inorganic reduction-half-reactions, four N-sources (NH4 (+), NO3 (-), NO2 (-), N2) to biomass synthesis and twenty-four microbial empirical formulas, one of which can be determined by the user (CnHaObNc). MbT-Tool is an open-source program capable of writing MMRs based on thermodynamic concepts, which are applicable in a wide range of academic research interested in designing, optimizing and modelling microbial activity without any extensive chemical, microbiological and programing experience.
AI snapshot
Written from the paper’s full text.
TL;DR
The paper presents MbT-Tool, an open-access NetLogo tool that writes microbial metabolic reactions (MMRs) using the Thermodynamic Electron Equivalents Model (TEEM1/TEEM2). It demonstrates the tool across several microbial functional groups and case studies, including yeast, denitrifiers, E. coli, and an NTA-degrading bacterium.
Key findings
- MbT-Tool contains 18 organic and 20 inorganic reduction-half-reactions, 4 N-sources (NH4+, NO3−, NO2−, N2) for biomass synthesis, and 24 microbial empirical formulas, plus one user-defined CnHaObNc formula.
- It can write MMRs for aerobic heterotrophs, nitrifiers, denitrifiers, methanogens, sulphate reducers, sulphide oxidizers, and fermenters.
- In the NTA-degrading case, the reported cell yield was 50.760 g cells/mol NTA, while MbT-Tool predicted 51.311 g cells/mol NTA using TEEM1 and ε = 0.33.
- For E. coli diauxic growth, using TEEM2 with q = 1 and ε = 0.37, the tool produced Yg/m = 97.139 g cells/mol donor, Yc/m = 3.917 mol Ccells/mol donor, and Yc/c = 0.435 mol Ccell/mol Cdonor.
Methods
- The tool was implemented in NetLogo (at least NetLogo 5.0) as open-source software based on TEEM1 and TEEM2, with inputs including electron donor(s), electron acceptor, N-source, empirical biomass formula, ε, and for TEEM2 the oxygenase parameter q.
- Outputs include Rd, Ra, Rc, Re, Rs, feo, fso, ε, the MMR (R), and calculated microbial yield; users can export outputs as a .txt file.
- Case studies used literature-derived empirical formulas and yields: Saccharomyces cerevisiae (C6.33H10.21O3.53N; ε = 0.57 and 0.84; reported yield 0.098 mol Ccells/mol Cdonor), Paracoccus denitrificans (C3H5.4O1.45N0.75; TEEM2; four denitrification reductions), E. coli (C3.85H6.69O1.78N; TEEM2, q = 1, ε = 0.37), and an NTA-degrading bacterium (C5H7O2N; TEEM1, ε = 0.33).
Limitations
- Stated: the tool’s outputs cannot be compared directly with experimental results; only after constructing a model with MbT-Tool results would a non-expert user be able to interpret them.
- Stated: users should not select the same chemical species as both electron donor and electron acceptor, because inconsistent electron fractions can occur; the tool stops and alerts the user if this happens.
- Evident from the text: MbT-Tool itself does not simulate microbiological, ecological, or biotechnological processes, and its predictions depend on user-selected ε values, empirical biomass formulas, and TEEM version choices.
Model-written summary. Check it against the paper before relying on it.
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Cites
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Claims the paper makes
0 of 61 cited sources checked · 0 supported · 0 flagged
- Findingreasoning
MbT-Tool is an open-source program capable of writing MMRs based on thermodynamic concepts.
“MbT-Tool is an open-source program capable of writing MMRs based on thermodynamic concepts, which are applicable in a wide range of academic research interested in designing, optimizing and modelling microbial activity without any extensive chemical, microbiological and programing experience.”
Quote in the paperSubstantial claim - Findingnone given
A new computational tool to represent microbial pathways through microbial metabolic reactions (MMRs) using the Thermodynamic Electron Equivalents Model has been designed and implemented in the open-access framework NetLogo.
“A new computational tool to represent microbial pathways through microbial metabolic reactions (MMRs) using the approach of the Thermodynamic Electron Equivalents Model has been designed and implemented in the open-access framework NetLogo.”
Quote in the paperSubstantial claim - Findingnone given
The computational tool, called MbT-Tool, can write MMRs for different microbial functional groups, such as aerobic heterotrophs, nitrifiers, denitrifiers, methanogens, sulphate reducers, sulphide oxidizers and fermenters.
“This computational tool, called MbT-Tool (Metabolism based on Thermodynamics) can write MMRs for different microbial functional groups, such as aerobic heterotrophs, nitrifiers, denitrifiers, methanogens, sulphate reducers, sulphide oxidizers and fermenters.”
Quote in the paperSubstantial claim - Findingcitation
The computational tool is implemented in the widely used, free and open source program NetLogo, a multi-agent programmable modelling environment.
“The computational tool is implemented in the widely used, free and open source program NetLogo, a multi-agent programmable modelling environment [39].”
Quote in the paperSubstantial claim0 of 1 sources checked- cites [39] Wilensky U. NetLogo. Cent Connect Learn Comput Model Northwest Univ Evanston, IL http://ccl.northwestern.edu/netlogo/ 1999 [accessed March 5, 2014]
Queued — the background check reaches it, usually within a day.
- Findingown data
The bacterial yield prediction obtained with the MbT-Tool for nitrilotriacetic acid (NTA) degradation is 51.311 g cells/mol NTA.
“while the bacterial yield prediction obtained with the MbT-Tool is 51.311 g cells/mol NTA.”
Quote in the paperNot a substantial claim- Rests on an assumption: The gram-negative bacterium with empirical formula C5H7O2N degrades nitrilotriacetic acid (NTA) in the absence of molecular oxygen.
- Findingreasoning
Using the MbT-Tool with TEEM2 and different ε values, a sequence of four reduction reactions (NO3− → NO2− → NO → N2O → N2) can be represented using MMRs for Paracoccus denitrificans.
“Taking into account this information we used the MbT-Tool with TEEM2 and different ε values to represent a sequence of four reduction reactions (NO3− → NO2− → NO → N2O → N2) using MMRs for this denitrifying bacterium.”
Quote in the paperSubstantial claim - Findingcitation
Using the MbT-Tool, it is possible to represent the diauxic growth of Escherichia coli on glucose and lactose.
“Considering this information, using the MbT-Tool it is possible to represent its diauxic growth on glucose and lactose.”
Quote in the paperSubstantial claim - Findingcitation
MbT-Tool is the interactive tool developed to study and model microbial metabolism based on two versions of TEEM: TEEM1 and TEEM2.
“MbT-Tool is the interactive tool developed to study and model microbial metabolism based on two versions of TEEM: TEEM1 [4] and TEEM2 [11].”
Quote in the paperSubstantial claim0 of 2 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- cites [11] McCarty P.L. Thermodynamic electron equivalents model for bacterial yield prediction: Modifications and comparative evaluations Biotechnol Bioeng 97 2007 377 388 17089390
Queued — the background check reaches it, usually within a day.
- Findingreasoning
With the combination of the pre-programmed half-reactions, it is possible to write MMRs for diverse microbial functional groups, such as aerobic heterotrophs, nitrifiers, denitrifiers, methanogens, sulphate reducers, sulphide oxidizers and fermenters.
“With the combination of these half-reactions, it is possible to write MMRs for diverse microbial functional groups, such as aerobic heterotrophs, nitrifiers, denitrifiers, methanogens, sulphate reducers, sulphide oxidizers and fermenters (in supplementary material, Table S6).”
Quote in the paperSubstantial claim - Findingnone given
Using the MbT-Tool it is possible to predict the microbial yield in standard thermodynamic conditions, e.g. P = 1 bar, temperature = 25 °C and pH = 7.0.
“Moreover, using the MbT-Tool it is possible to predict the microbial yield in standard thermodynamic conditions, e.g. P = 1 bar, temperature = 25 °C and pH = 7.0.”
Quote in the paperSubstantial claim - Premisecitation
If the empirical chemical formula includes two more elements, e.g. phosphorous and sulphur, the fitness increases to around 98-99%.
“If the formula only considers four elements, the fitness is close to 95%, but if we include two more elements, e.g. phosphorous and sulphur, the fitness increase its value to around 98–99% [36], [37].”
Quote in the paperNot a substantial claim0 of 2 sources checked- cites [36] Battley E.H. A theoretical study of the thermodynamics of microbial growth using Saccharomyces cerevisiae and a different free energy equation Q Rev Biol 88 2013 69 96 23909225
Not checked in the free run.
- cites [37] LaRowe D.E. Amend J.P. The energetics of anabolism in natural settings ISME J 10 2016 1285 1295 26859771 PMC5029197
Not checked in the free run.
- Premisecitation
In TEEM2 the intermediate is acetyl-CoA with its half-reaction standard Gibbs free energy equal to 30.9 kJ/eeq.
“In TEEM1 the intermediate is the pyruvate with its half-reaction standard Gibbs free energy equal to 35.09 kJ/eeq, and in TEEM2 the intermediate is acetyl-CoA with its half-reaction standard Gibbs free energy equal to 30.9 kJ/eeq.”
Quote in the paperNot a substantial claim0 of 1 sources checked- cites [11] McCarty P.L. Thermodynamic electron equivalents model for bacterial yield prediction: Modifications and comparative evaluations Biotechnol Bioeng 97 2007 377 388 17089390
Not checked in the free run.
- Premisecitation
TEEM2 complements TEEM1 because it considers oxygenase reactions involved and the aerobic heterotrophic oxidation of C1 organic compounds.
“The second version, TEEM2 [11], complements TEEM1 because it considers oxygenase reactions involved and the aerobic heterotrophic oxidation of C1 organic compounds.”
Quote in the paperNot a substantial claim0 of 1 sources checked- cites [11] McCarty P.L. Thermodynamic electron equivalents model for bacterial yield prediction: Modifications and comparative evaluations Biotechnol Bioeng 97 2007 377 388 17089390
Not checked in the free run.
- Premisecitation
TEEM is based on terms of the standard Gibbs free energy involved in these reactions and in how the energy between catabolism and anabolism is coupled.
“TEEM is based on terms of the standard Gibbs free energy involved in these reactions and in how the energy between catabolism and anabolism is coupled [4], [7], [8], [9], [10], [11].”
Quote in the paperSubstantial claim0 of 3 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- cites [7] McCarty P.L. Thermodynamics of biological synthesis and growth Adv Water Pollut Res 2 1965 169 187 5837726
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- cites [8] Stratton F.E. McCarty P.L. Graphical evaluation of the kinetic parameters for bacterial growth Can J Microbiol 15 1969 1201 1205 5371000
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- Premisecitation
To estimate the standard Gibbs free energy of Rc (∆Gpc), TEEM proposes a value of 3.33 KJ per gram cells, which is related to one generic microbial cell composition C5H7O2N when NH4+ serves as the N-source for cell synthesis.
“To estimate the standard Gibbs free energy of Rc (∆Gpc), TEEM proposes a value of 3.33 KJ per gram cells [4], [9], [11], which is related to one generic microbial cell composition C5H7O2N when NH4+ serves as the N-source for cell synthesis.”
Quote in the paperSubstantial claim0 of 3 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- cites [9] McCarty P.L. Energetics and bacterial growth Org Compd Aquat Environ 1 1971 157 172
Not checked in the free run.
- cites [11] McCarty P.L. Thermodynamic electron equivalents model for bacterial yield prediction: Modifications and comparative evaluations Biotechnol Bioeng 97 2007 377 388 17089390
Not checked in the free run.
- Premisecitation
According to TEEM, the metabolic energy is obtained from the redox reaction between an eD with an eA.
“According to TEEM, the metabolic energy is obtained from the redox reaction between an eD with an eA.”
Quote in the paperSubstantial claim0 of 1 sources checked- cites [11] McCarty P.L. Thermodynamic electron equivalents model for bacterial yield prediction: Modifications and comparative evaluations Biotechnol Bioeng 97 2007 377 388 17089390
Not checked in the free run.
- Premisecitation
If the empirical chemical formula only considers four elements, the fitness is close to 95%.
“If the formula only considers four elements, the fitness is close to 95%, but if we include two more elements, e.g. phosphorous and sulphur, the fitness increase its value to around 98–99% [36], [37].”
Quote in the paperNot a substantial claim0 of 2 sources checked- cites [36] Battley E.H. A theoretical study of the thermodynamics of microbial growth using Saccharomyces cerevisiae and a different free energy equation Q Rev Biol 88 2013 69 96 23909225
Not checked in the free run.
- cites [37] LaRowe D.E. Amend J.P. The energetics of anabolism in natural settings ISME J 10 2016 1285 1295 26859771 PMC5029197
Not checked in the free run.
- Premisecitation
In TEEM1 the intermediate is pyruvate with its half-reaction standard Gibbs free energy equal to 35.09 kJ/eeq.
“In TEEM1 the intermediate is the pyruvate with its half-reaction standard Gibbs free energy equal to 35.09 kJ/eeq, and in TEEM2 the intermediate is acetyl-CoA with its half-reaction standard Gibbs free energy equal to 30.9 kJ/eeq.”
Quote in the paperNot a substantial claim0 of 1 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- Premisecitation
TEEM calculates microbial yield (Yc/c) using a relation between the standard Gibbs free energy of the catabolic and anabolic reactions and an appropriate ε value.
“TEEM calculates microbial yield (Yc/c) using a relation between the standard Gibbs free energy of the catabolic and anabolic reactions and an appropriate ε value.”
Quote in the paperSubstantial claim0 of 1 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- Premisecitation
In IBM research using the INDISIM methodology as a core model, it is essential to know the metabolic reactions carried out by microorganisms to increase or decrease their own biomass.
“In the research field on IBMs, using the INDISIM methodology as a core model, for instance [24], [25], [26], [52], [53], [54], we realized that is essential to know the metabolic reactions carried out by the micro-organisms to increase or decrease their own biomass.”
Quote in the paperSubstantial claim0 of 3 sources checked- cites [24] Ginovart M. López D. Valls J. INDISIM, an individual-based discrete simulation model to study bacterial cultures J Theor Biol 214 2002 305 319 11812180
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- cites [25] Gras A. Ginovart M. Valls J. Baveye P.C. Individual-based modelling of carbon and nitrogen dynamics in soils: Parameterization and sensitivity analysis of microbial components Ecol Model 222 2011 1998 2010
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- cites [26] Portell X. Gras A. Ginovart M. INDISIM-Saccha, an individual-based model to tackle Saccharomyces cerevisiae fermentations Ecol Model 279 2014 12 23
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- Premisecitation
Battley established C3.85H6.69O1.78N as the empirical chemical formula for Escherichia coli.
“Battley (1987) [33] established C3.85H6.69O1.78N as the empirical chemical formula for Escherichia coli.”
Quote in the paperSubstantial claim0 of 1 sources checked- cites [33] Battley E. Energetics of microbial growth 1987 Wiley
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- Premisecitation
An MMR (R = feoRa + fsoRc − Rd) represents the full stoichiometric relationships for a biological process without the experimental yield values commonly required to obtain it.
“With this information, an MMR (R = feoRa + fsoRc − Rd) is written. This reaction represents the full stoichiometric relationships for a biological process without the experimental yield values commonly required to obtain it [12].”
Quote in the paperSubstantial claim0 of 1 sources checked- cites [12] VanBriesen J.M. Evaluation of methods to predict bacterialyield using thermodynamics Biodegradation 13 2002 171 190 12498215
Not checked in the free run.
- Premisecitation
TEEM considers in its internal structure the possibility of using four different N-sources to write Rc.
“Moreover, TEEM considers in its internal structure the possibility of using four different N-sources to write Rc [4].”
Quote in the paperNot a substantial claim0 of 1 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- Premisecitation
To couple the energy from catabolism to anabolism, TEEM considers a relation between the electrons involved: electrons from eD are divided into feo (transferred to eA to generate energy) and fso (transferred to N-source for cell synthesis).
“To couple the energy from catabolism to anabolism, TEEM considers a relation between the electrons involved. The electrons that come from the eD will be divided into two portions. The first portion (feo) is transferred to the eA to generate energy (catabolism) and the other portion of electrons (fso) is transferred to the N-source for cell synthesis (anabolism).”
Quote in the paperSubstantial claim0 of 1 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- Premisecitation
Battley established C6.33H10.21O3.53N as the empirical chemical formula for Saccharomyces cerevisiae.
“In the experiments carried out by Battley (2013, 2007, 1995) [32], [35], [36] related to the Saccharomyces cerevisiae, he has established C6.33H10.21O3.53N as the empirical chemical formula for this yeast.”
Quote in the paperSubstantial claim0 of 3 sources checked- cites [32] Battley E.H. The sources of thermal energy exchange accompanying microbial anabolism J Therm Anal Calorim 87 2007 105 111
Not checked in the free run.
- cites [35] Battley E.H. An apparent anomaly in the calculation of ash-free dry weights for the determination of cellular yields Appl Environ Microbiol 61 1995 1655 1657 16535008 PMC1388426
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- cites [36] Battley E.H. A theoretical study of the thermodynamics of microbial growth using Saccharomyces cerevisiae and a different free energy equation Q Rev Biol 88 2013 69 96 23909225
Not checked in the free run.
- Premisecitation
Wanner et al. reported a cell yield growing on nitrilotriacetic acid (NTA) equal to 50.760 g cells/mol NTA for this microbial process.
“Wanner et al. [51], reported a cell yield growing on NTA equal to 50.760 g cells/mol NTA for this microbial process”
Quote in the paperNot a substantial claim0 of 1 sources checked- cites [51] Wanner U. Kemmler J. Weilenmann H.U. Egli T. El-Banna T. Auling G. Isolation and growth of a bacterium able to degrade nitrilotriacetic acid under denitrifying conditions Biodegradation 1 1990 31 41 1368140
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- Premisecitation
van Verseveld established C3H5.4O1.45N0.75 as the empirical formula for Paracoccus denitrificans.
“In the published research carried out by H.W. van Verseveld [46], [47], [48] related to the growth of Paracoccus denitrificans, and considering succinate as electron donor and various final electron acceptors, the reported formula for this denitrifying bacterium was established as C3H5.4O1.45N0.75.”
Quote in the paperSubstantial claim0 of 3 sources checked- cites [46] van Verseveld H.W. Meijer E.M. Stouthamer A.H. Energy conservation during nitrate respiration in Paracoccus denitrificans Arch Microbiol 112 1977 17 23 843167
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- cites [47] van Verseveld H.W. Stouthamer A.H. Growth yields and the efficiency of oxidative phosphorylation during autotrophic growth of Paracoccus denitrificans on methanol and formate Arch Microbiol 118 1978 21 26 211973
Not checked in the free run.
- cites [48] van Verseveld H.W. Boon J.P. Stouthamer A.H. Growth yields and the efficiency of oxidative phosphorylation of Paracoccus denitrificans during two- (carbon) substrate-limited growth Arch Microbiol 121 1979 213 223
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- Premisereasoning
Different N-sources will obtain different results in the microbial yield.
“Therefore, different N-sources will obtain different results in the microbial yield [4], [11].”
Quote in the paperNot a substantial claim0 of 2 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- cites [11] McCarty P.L. Thermodynamic electron equivalents model for bacterial yield prediction: Modifications and comparative evaluations Biotechnol Bioeng 97 2007 377 388 17089390
Not checked in the free run.
- Classified as probably not a substantial claim. 35
- May combine two claims. 11
Probably not a substantial claim: may not pass S3 (load-bearing).
Findingown dataThe MbT-Tool's code contains twenty inorganic reduction-half-reactions.
“The MbT-Tool's code contains eighteen organic and twenty inorganic reduction-half-reactions, four N-sources (NH4+, NO3−, NO2−, N2) to biomass synthesis and twenty-four microbial empirical formulas, one of which can be determined by the user (CnHaObNc).”
Quote in the paperNot a substantial claimProbably not a substantial claim: may not pass S3 (load-bearing).
Findingown dataThe MbT-Tool's code contains eighteen organic reduction-half-reactions.
“The MbT-Tool's code contains eighteen organic and twenty inorganic reduction-half-reactions, four N-sources (NH4+, NO3−, NO2−, N2) to biomass synthesis and twenty-four microbial empirical formulas, one of which can be determined by the user (CnHaObNc).”
Quote in the paperNot a substantial claimProbably not a substantial claim: may not pass S3 (load-bearing). May combine two claims.
Findingown dataThe MbT-Tool's code contains twenty-four microbial empirical formulas, one of which can be determined by the user (CnHaObNc).
“The MbT-Tool's code contains eighteen organic and twenty inorganic reduction-half-reactions, four N-sources (NH4+, NO3−, NO2−, N2) to biomass synthesis and twenty-four microbial empirical formulas, one of which can be determined by the user (CnHaObNc).”
Quote in the paperNot a substantial claimProbably not a substantial claim: may not pass S3 (load-bearing).
Findingown dataThe MbT-Tool's code contains four N-sources (NH4+, NO3−, NO2−, N2) to biomass synthesis.
“The MbT-Tool's code contains eighteen organic and twenty inorganic reduction-half-reactions, four N-sources (NH4+, NO3−, NO2−, N2) to biomass synthesis and twenty-four microbial empirical formulas, one of which can be determined by the user (CnHaObNc).”
Quote in the paperNot a substantial claimClassified as probably not a substantial claim. May combine two claims.
Findingown dataThe MbT-Tool displays the following outputs: the Rd, Ra and Rc half-reactions, the energy reaction (Re), the synthesis reaction (Rs), feo, fso, ε, the MMR (R) and the calculated microbial yield.
“With all this data, the MbT-Tool displays the following outputs: the Rd, Ra and Rc half-reactions, the energy reaction (Re), the synthesis reaction (Rs), feo, fso, ε, the MMR (R) and the calculated microbial yield (Fig. 3).”
Quote in the paperSubstantial claimClassified as probably not a substantial claim.
Findingnone givenThe MbT-Tool by itself does not simulate any microbiological, ecological or biotechnological process.
“The MbT-Tool by itself does not simulate any microbiological, ecological or biotechnological process”
Quote in the paperSubstantial claimClassified as probably not a substantial claim. May combine two claims.
FindingreasoningUsers without extensive programming experience can modify the code, introducing new chemical species to write new reduction-half-reactions, as well as other options for investigating alternative metabolic pathways or adapting certain processes according to specific studies.
“Users without extensive programming experience can modify the code, introducing new chemical species to write new reduction-half-reactions, as well as other options for investigating alternative metabolic pathways or adapting certain processes according to specific studies.”
Quote in the paperSubstantial claimMay combine two claims.
FindingcitationMbT-Tool considers Battley's hypothesis as valid and allows use of the same microbial biomass formula and writing MMR using different growing substrates.
“Therefore, the MbT-Tool considers Battley's hypothesis as valid and allows use of the same microbial biomass formula and writing MMR using different growing substrates.”
Quote in the paperSubstantial claim0 of 1 sources checked- cites Battley (2013) source
- The authors state this as an assumption: The empirical composition of the same cells metabolizing any given substrate is expected to be the same.
May combine two claims.
FindingreasoningFor Escherichia coli diauxic growth on glucose and lactose, using the MbT-Tool with TEEM2, NH4+ as N-source, two electron donors (glucose and lactate) and one electron acceptor (oxygen), and ε=0.37, the predicted bacterial yields are Yg/m = 97.139 g cells/mol donor, Yc/m = 3.917 molCcells/mol donor, and Yc/c = 0.435 molCcell/molCdonor.
“Bacterial yield: Yg/m = 97.139 (gramscells/moldonor); Yc/m = 3.917 (molCcells/moldonor) and Yc/c = 0.435 (molCcell/molCdonor).”
Quote in the paperNot a substantial claimClassified as probably not a substantial claim.
Findingnone givenThe user does not have to pay for using the MbT-Tool.
“that the user doesn't have to pay for using the MbT-Tool”
Quote in the paperSubstantial claimClassified as probably not a substantial claim.
Findingnone givenThe MbT-Tool user interface displays all variables and parameters regarding the composition of the microbial biomass and the substrates that can be selected to describe the metabolic processes, avoiding the complex and tedious calculations of the implemented thermodynamic model by the user.
“The MbT-Tool user interface displays all variables and parameters regarding the composition of the microbial biomass and the substrates that can be selected to describe the metabolic processes, avoiding the complex and tedious calculations of the implemented thermodynamic model by the user.”
Quote in the paperSubstantial claimClassified as probably not a substantial claim.
Findingnone givenThe non-expert user achieves an MMR in which one of the products is the chemical composition of the microorganism involved in the process and some values of its bacterial yield.
“The non-expert user achieves an MMR in which one of the products is the chemical composition of the micro-organism involved in the process and some values of its bacterial yield.”
Quote in the paperSubstantial claimProbably not a substantial claim: may not pass S3 (load-bearing).
FindingreasoningAn inconsistent value will be obtained when these fractions of electrons are greater than one or below zero.
“An inconsistent value will be obtained when these fractions of electrons are greater than one or below zero.”
Quote in the paperNot a substantial claimProbably not a substantial claim: may not pass S3 (load-bearing).
Findingnone givenThe user could download these outputs in an archive with a '.txt' extension.
“The user could also download these outputs in an archive with a “.txt” extension.”
Quote in the paperNot a substantial claimProbably not a substantial claim: may not pass S3 (load-bearing).
FindingreasoningIf this numerical inconsistency occurs, the MbT-Tool stops and shows an alert message to the user.
“If this numerical inconsistency occurs, the MbT-Tool stops and shows an alert message to the user.”
Quote in the paperNot a substantial claimClassified as probably not a substantial claim.
Findingnone givenThe user is able to modify the source-code to extend the scope of the MbT-Tool into their specific research field and expertise.
“that the user is able to modify the source-code to extend the scope of the MbT-Tool into their specific research field and expertise.”
Quote in the paperSubstantial claimClassified as probably not a substantial claim.
Findingnone givenWith the MbT-Tool it is possible to write MMRs conducted by microbes.
“With the MbT-Tool it is possible to write MMRs conducted by microbes.”
Quote in the paperSubstantial claimClassified as probably not a substantial claim.
Findingnone givenIt is not possible to compare the MbT-Tool's outputs directly with experimental results.
“However, this tool has a limitation: it is not possible to compare the MbT-Tool's outputs directly with experimental results.”
Quote in the paperSubstantial claimProbably not a substantial claim: may not pass S3 (load-bearing).
FindingreasoningThe scope of the MbT-Tool is not limited to the number of pre-programmed half-reactions included in this version.
“Moreover, the scope of the MbT-Tool is not limited to the number of the pre-programmed half-reactions included in this version.”
Quote in the paperNot a substantial claimClassified as probably not a substantial claim.
Findingnone givenIf eD and eA are the same, the result of the calculations using their standard Gibbs free energy could provoke an inconsistent value on the fraction of electrons destined for cellular synthesis or electrons destined for energy.
“If eD and eA are the same, the result of the calculations using their standard Gibbs free energy could provoke an inconsistent value on the fraction of electrons destined for cellular synthesis or electrons destined for energy.”
Quote in the paperSubstantial claimMay combine two claims.
FindingreasoningUsing the MbT-Tool, it is possible to represent two metabolic pathways for Saccharomyces cerevisiae: biomass synthesis from glucose, and biomass synthesis from pyruvate to ethanol.
“Considering this information, using the MbT-Tool it is possible to represent two metabolic pathways: the biomass synthesis from glucose, and the biomass synthesis from pyruvate to ethanol.”
Quote in the paperSubstantial claimProbably not a substantial claim: may not pass S3 (load-bearing), S4 (based).
Findingnone givenThe power and scope of the MbT-Tool increases if the molar relationship between the main four elements can be changed to define the empirical chemical formula that represents the microbial biomass.
“Also, the power and scope of the MbT-Tool increases if we take into account the possibility of changing the molar relationship between the main four elements to define the empirical chemical formula that represents the microbial biomass.”
Quote in the paperNot a substantial claimProbably not a substantial claim: may not pass S3 (load-bearing).
FindingcitationMbT-Tool runs on any computer that supports JAVA with an operating system (OS): Windows, Mac OS X and Linux.
“It runs on any computer that supports JAVA with an operating system (OS): Windows, Mac OS X and Linux [22], [39], [40].”
Quote in the paperNot a substantial claim0 of 3 sources checked- cites [22] Hellweger F.L. Clegg R.J. Clark J.R. Plugge C.M. Kreft J.-U. Advancing microbial sciences by individual-based modelling Nat Rev Microbiol 14 2016 461 471 27265769
Not checked in the free run.
- cites [39] Wilensky U. NetLogo. Cent Connect Learn Comput Model Northwest Univ Evanston, IL http://ccl.northwestern.edu/netlogo/ 1999 [accessed March 5, 2014]
Not checked in the free run.
- cites [40] Tisue S. Wilensky U. Netlogo: a simple environment for modeling complexity Int Conf … 2004
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
Classified as probably not a substantial claim.
InterpretationreasoningMbT-Tool is applicable in a wide range of academic research interested in designing, optimizing and modelling microbial activity without any extensive chemical, microbiological and programing experience.
“MbT-Tool is an open-source program capable of writing MMRs based on thermodynamic concepts, which are applicable in a wide range of academic research interested in designing, optimizing and modelling microbial activity without any extensive chemical, microbiological and programing experience.”
Quote in the paperSubstantial claimProbably not a substantial claim: may not pass S3 (load-bearing).
PremisecitationTEEM has two versions, TEEM1 and TEEM2.
“TEEM has two versions, the first one, TEEM1 [4], considers a realistic formulation of the anabolic reaction taking into account different N-sources such as ammonium (NH4+), nitrate (NO3−), nitrite (NO2−) and di-nitrogen (N2), and a complete explanation of ε between catabolism and anabolism.”
Quote in the paperNot a substantial claim0 of 2 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- cites [11] McCarty P.L. Thermodynamic electron equivalents model for bacterial yield prediction: Modifications and comparative evaluations Biotechnol Bioeng 97 2007 377 388 17089390
Not checked in the free run.
Classified as probably not a substantial claim.
PremisecitationRc is a hypothetical half-reaction, which considers as reactants the N-source (NH4+, NO3−, NO2− or N2), carbon dioxide (CO2) and bicarbonate (HCO3−), and as products water and the microbial biomass represented by an empirical chemical formula of cells (CnHaObNc).
“Rc is a hypothetical half-reaction, which considers as reactants the N-source (NH4+, NO3−, NO2− or N2), carbon dioxide (CO2) and bicarbonate (HCO3−), and as products water and the microbial biomass represented by an empirical chemical formula of cells (CnHaObNc).”
Quote in the paperSubstantial claim0 of 1 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
Probably not a substantial claim: may not pass S3 (load-bearing). May combine two claims.
PremisecitationTEEM1 considers a realistic formulation of the anabolic reaction taking into account different N-sources such as ammonium (NH4+), nitrate (NO3−), nitrite (NO2−) and di-nitrogen (N2), and a complete explanation of ε between catabolism and anabolism.
“TEEM has two versions, the first one, TEEM1 [4], considers a realistic formulation of the anabolic reaction taking into account different N-sources such as ammonium (NH4+), nitrate (NO3−), nitrite (NO2−) and di-nitrogen (N2), and a complete explanation of ε between catabolism and anabolism.”
Quote in the paperNot a substantial claim0 of 1 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
Classified as probably not a substantial claim.
PremisecitationTo establish the adequacy of the empirical chemical formula, researchers compared theoretical thermodynamic calculations using the cell's empirical chemical formula with the thermodynamics of growth of the same micro-organism on several substrates using batch cultures growing in the exponential phase at μmax.
“To establish the adequacy of this formula, researchers compared theoretical thermodynamic calculations using the cell's empirical chemical formula with the thermodynamics of growth of the same micro-organism on several substrates using batch cultures growing in the exponential phase at μmax[32], [33], [34], [35].”
Quote in the paperSubstantial claim0 of 3 sources checked- cites [32] Battley E.H. The sources of thermal energy exchange accompanying microbial anabolism J Therm Anal Calorim 87 2007 105 111
Not checked in the free run.
- cites [33] Battley E. Energetics of microbial growth 1987 Wiley
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- cites [34] Battley E.H. The thermodynamics of growth of Escherichia coli K-12 on succinic acid Pure Appl Chem 65 1993 1881 1886
Not checked in the free run.
Probably not a substantial claim: may not pass S3 (load-bearing).
PremisecitationIn other research fields, e.g. bio-geochemical processes in marine environments, and taking into account different pressure, temperature, pH and N-sources for cell synthesis, the reported ∆Gpc value is 302 J per gram cells.
“In other research fields, e.g. bio-geochemical processes in marine environments, and taking into account different pressure, temperature, pH and N-sources for cell synthesis the reported ∆Gpc value is 302 J per gram cells [3], [37], [38].”
Quote in the paperNot a substantial claim0 of 3 sources checked- cites [3] Amend J.P. LaRowe D.E. McCollom T.M. Shock E.L. The energetics of organic synthesis inside and outside the cell Philos Trans R Soc Lond B Biol Sci 368 2013 20120255 23754809 PMC3685458
Not checked in the free run.
- cites [37] LaRowe D.E. Amend J.P. The energetics of anabolism in natural settings ISME J 10 2016 1285 1295 26859771 PMC5029197
Not checked in the free run.
- cites [38] LaRowe D.E. Amend J.P. Catabolic rates, population sizes and doubling/replacement times of microorganisms in natural settings Am J Sci 315 2015 167 203
Not checked in the free run.
Classified as probably not a substantial claim.
PremisecitationTEEM writes a stoichiometric reaction to describe the overall cellular metabolism from reduction-half-reactions for the electron-donor (Rd), electron-acceptor (Ra) and cell synthesis (Rc).
“TEEM writes a stoichiometric reaction to describe the overall cellular metabolism from reduction-half-reactions for: the electron-donor (Rd), electron-acceptor (Ra) and cell synthesis (Rc).”
Quote in the paperSubstantial claim0 of 3 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
- cites [7] McCarty P.L. Thermodynamics of biological synthesis and growth Adv Water Pollut Res 2 1965 169 187 5837726
Not checked in the free run.
- cites [8] Stratton F.E. McCarty P.L. Graphical evaluation of the kinetic parameters for bacterial growth Can J Microbiol 15 1969 1201 1205 5371000
Not checked in the free run.
Probably not a substantial claim: may not pass S3 (load-bearing).
PremisecitationIn most common cases, the q value ranges from 0 to 4.
“But in the most common cases, the “q” value ranges from 0 to 4.”
Quote in the paperNot a substantial claim0 of 2 sources checked- cites [13] Xiao J. VanBriesen J.M. Expanded thermodynamic model for microbial true yield prediction Biotechnol Bioeng 93 2006 110 121 16155947
Not checked in the free run.
- cites [14] Xiao J. VanBriesen J.M. Expanded thermodynamic true yield prediction model: Adjustments and limitations Biodegradation 19 2008 99 127 17562190
Not checked in the free run.
May combine two claims.
PremisecitationTEEM calculates the relationship between feo and fso using (i) standard Gibbs free energy of Rd, Ra and Rc, (ii) standard Gibbs free energy of the intracellular intermediates compounds, and (iii) an appropriate ε value.
“TEEM calculates the relationship between feo and fso using: (i) standard Gibbs free energy of Rd, Ra and Rc, (ii) standard Gibbs free energy of the intracellular intermediates compounds, and (iii) an appropriate ε value.”
Quote in the paperSubstantial claim0 of 1 sources checked- cites [4] Rittmann B.E. McCarty P.L. Environmental biotechnology: principles and applications 2001
Couldn’t be matched to a paper in Crossref, so it can’t be checked.
Probably not a substantial claim: may not pass S3 (load-bearing). May combine two claims.
PremisereasoningNetLogo is licensed under GPL and it was chosen mainly for the way this platform is organized: the source-code is very well documented, open and easy to read, giving the option to share this developed tool with other researchers without difficulty.
“NetLogo is licensed under GPL (GNU General Public Licence) and it was chosen mainly for the way this platform is organized: the source-code is very well documented, open and easy to read, giving the option to share this developed tool with other researchers without difficulty.”
Quote in the paperNot a substantial claimProbably not a substantial claim: may not pass S3 (load-bearing).
PremisecitationThe empirical formula C5H7O2N represents a gram-negative bacterium.
“In the MbT-Tool, we selected a gram-negative bacterium with the empirical formula of C5H7O2N [5].”
Quote in the paperNot a substantial claim0 of 1 sources checked- cites [5] VanBriesen J.M. Rittmann B.E. Mathematical description of microbiological reactions involving intermediates Biotechnol Bioeng 67 2000 35 52 10581434
Not checked in the free run.
Probably not a substantial claim: may not pass S3 (load-bearing).
Premisenone givenMicroorganisms use oxygenase reactions to create more biodegradable forms of substrates.
“Basically, micro-organisms utilize the oxygenase reactions to create more biodegradable forms of substrates.”
Quote in the paperNot a substantial claim0 of 3 sources checked- cites [41] Schirmer A. Rude M.A. Li X. Popova E. del Cardayre S.B. Microbial biosynthesis of alkanes Science 329 80- 2010 559 562 20671186
Not checked in the free run.
- cites [42] Peters J. Witholt B. Solubilization of the overexpressed integral membrane protein alkane monooxygenase of the recombinant Escherichia coli W3110[pGEc47] Biochim Biophys Acta Biomembr 1196 1994 145 153 7841178
Not checked in the free run.
- cites [43] Timkovich R. Thrasher J.S. Carbon monoxide oxygenase activity of cytochrome cd1 Biochemistry 27 1988 5383 5388 3139034
Not checked in the free run.
Probably not a substantial claim: may not pass S3 (load-bearing).
PremisecitationThe MMR (R) is the reaction that McCarty defines as global reaction, which arises from the combination between the catabolic reaction with the anabolic reaction and the value of ε.
“This MMR is the reaction that McCarty defines as global reaction, which arises from the combination between: the catabolic reaction with the anabolic reaction and the value of ε[11].”
Quote in the paperNot a substantial claim0 of 1 sources checked- cites [11] McCarty P.L. Thermodynamic electron equivalents model for bacterial yield prediction: Modifications and comparative evaluations Biotechnol Bioeng 97 2007 377 388 17089390
Not checked in the free run.
Classified as probably not a substantial claim.
InterpretationreasoningThe results obtained from the MbT-Tool allow the user to start with calculations or simulations for studying microbiological, ecological or biotechnological processes.
“but the results obtained from the MbT-Tool allow the user to start with the calculations or the simulations for the study of any of these research fields.”
Quote in the paperSubstantial claimProbably not a substantial claim: may not pass S3 (load-bearing). May combine two claims.
PremisecitationThe composition of the microbial biomass, represented by CnHaObNc, seems to be related to the substrates where the micro-organism grows and it can be slightly different depending on the C-sources and N-sources.
“The composition of the microbial biomass, which is represented by CnHaObNc, seems to be related to the substrates where the micro-organism grows and it can be slightly different depending on the C-sources and N-sources [14].”
Quote in the paperNot a substantial claim0 of 1 sources checked- cites [14] Xiao J. VanBriesen J.M. Expanded thermodynamic true yield prediction model: Adjustments and limitations Biodegradation 19 2008 99 127 17562190
Not checked in the free run.
Probably not a substantial claim: may not pass S2 (checkable), S3 (load-bearing). May combine two claims.
PremisecitationNetLogo's flat learning curve and comprehensive documentation make it a user-friendly tool, easily accessible to chemists, biologists, ecologists, engineers and modellers.
“Additionally, the NetLogo's rather flat learning curve and comprehensive documentation [57] make this a user-friendly tool, easily accessible to chemists, biologists, ecologists, engineers and modellers, among others.”
Quote in the paperNot a substantial claim0 of 1 sources checked- cites [57] Railsback S.F. Grimm V. Agent-based and individual-based modeling: a practical introduction 2012 Princeton University Press
Not checked in the free run.
The authors state this as an assumption.
The empirical composition of the same cells metabolizing any given substrate is expected to be the same.
“However, Battley (2013) asserts that the empirical composition of the same cells metabolizing any given substrate is expected to be the same. Therefore, the MbT-Tool considers Battley's hypothesis as valid and allows use of the same microbial biomass formula and writing MMR using different growing substrates.”
The authors state this as an assumption.
A fraction of the thermodynamic free energy involved is lost at each energy transfer between catabolism and anabolism.
“This term is included because TEEM considers that a fraction of the thermodynamic free energy involved is lost at each energy transfer between catabolism and anabolism [13], [14].”
The paper relies on this without support.
The MbT-Tool is the only open-access and open-source software that allows the writing of MMRs based on thermodynamic concepts.
“The MbT-Tool is, as far as we know, the only open-access and open-source software, that allows the writing of MMRs based on thermodynamic concepts.”
The paper relies on this without support.
NH4+ is the universal N-source for biomass synthesis.
“We used NH4+ because this chemical species is the universal N-source to biomass synthesis”
The paper relies on this without support.
The gram-negative bacterium with empirical formula C5H7O2N degrades nitrilotriacetic acid (NTA) in the absence of molecular oxygen.
“This bacterium degrades nitrilotriacetic acid (NTA) in the absence of molecular oxygen.”
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
Each contradiction between two passages listed here was confirmed by an independent check.
The second carbon source is called both lactose and lactate
MinorThe E. coli case study says it represents growth on glucose and lactose, but its stated electron donors are glucose and lactate. Lactose and lactate are different compounds.
“it is possible to represent its diauxic growth on glucose and lactose.”
“We used two eDs (glucose and lactate) and one eA (oxygen)”
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Doloman, A., & Seefeldt, L. C. (2020) · Frontiers in Microbiology · doi:10.3389/fmicb.2020.540378 · Cited by 3 · see citing works
Stoichiometry and Bacterial Energetics
Achal, V. (2025) · Springer eBooks · doi:10.1007/978-981-95-1610-0_2
Delattre, H. (2018) · theses.fr (ABES) · doi:10.70675/b7a598a3z5b12z4d7dz888ez3d2532bff017
Enhancement of anammox coupled arsenate reduction by coexisting iron-bearing minerals
Wang, W., Xiong, W., Jiang, Q., Ding, L., Wang, P., Li, J., Yin, H., & Cai, P. (2026) · Journal of Hazardous Materials · doi:10.1016/j.jhazmat.2026.142611
- Authors
- Araujo Granda, P., Gras, A., & Ginovart, M.
- Affiliations
- Chemical Engineering Faculty, Central University of Ecuador, Ciudad Universitaria – Ritter s/n y Bolivia, P.O. Box. 17-01-3972, Quito, Ecuador
- Universitat Politècnica de Catalunya (ES)
- Department of Mathematics, Universitat Politència de Catalunya, Edifici D4, Esteve Terradas 8, 08860 Castelldefels, Barcelona, Spain
- Corresponding author
- Gras, Anna
- Venue
- Computational and Structural Biotechnology Journal
- Published
- 2016-01
- Volume
- 14
- Pages
- 325-332
- ISSN
- 2001-0370 (ISSN-L)
- PMC
- PMC5013251
- OpenAlex
- W2510972057
- Semantic Scholar
- 2024dad2d1b56d1c2995aa5ef2cd0a96be927d29
- Cited by
- 9
- References
- 57
- Citations by year
- 2026: 1 · 2025: 1 · 2022: 1 · 2021: 2 · 2020: 1 · 2018: 1 · 2017: 2
- FWCI
- 0.39
- Type
- journal article
- Language
- en
- Open access
- gold
- doi.org
- Licence
- Locations
- Computational and Structural Biotechnology Journal (publishedVersion, cc-by)
- PubMed Central (publishedVersion, cc-by)
- PubMed (publishedVersion)
- DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
- RECERCAT (Consorci de Serveis Universitaris de Catalunya) (submittedVersion, cc-by-nc-nd)
- UPCommons institutional repository (Universitat Politècnica de Catalunya) (submittedVersion, cc-by-nc-nd)
- Funders
- SENESCYT - Ecuador National Secretary of Higher Education, Science, Technology and Innovation (94-2012)
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Microbial Metabolic Engineering and Bioproduction
- Physical Sciences › Environmental Science › Environmental Engineering › Microbial Fuel Cells and Bioremediation
- Physical Sciences › Chemistry › Physical and Theoretical Chemistry › thermodynamics and calorimetric analyses
- Keywords
- NetLogo, microbial functional groups, nitrifying bacteria, denitrifiers, methanogenic archaea, fermenters, biomass synthesis, nutrient stoichiometry, bioprocess design
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