A simple pre-factor for contaminant biodegradation potential and its application to pesticides risk assessment

Fiona H. M. Tang; Daniele la Cecilia; R. Willem Vervoort; Nicholas V. Coleman; Chris Conoley; Federico Maggi

doi:10.1016/j.matcom.2019.08.009

A simple pre-factor for contaminant biodegradation potential and its application to pesticides risk assessment

Fiona H. M. Tang^*, Daniele la Cecilia, R. Willem Vervoort, Nicholas V. Coleman, Chris Conoley, Federico Maggi

^*Corresponding author for this work

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

1 Citation (Scopus)

Abstract

In this study, we extend our earlier work presented in the 22nd International Congress on Modelling and Simulation (MODSIM 2017) and propose a simple parametric pre-factor (the biodegradation potential ψ_Β), which can be used to estimate the biodegraded fraction of a contaminant in soil. ψ_Βcan be determined based on either first-order or Michaelis–Menten–Monod (MMM) kinetics. We show the application in the environmental risk assessments of the herbicides atrazine (ATZ) and glyphosate (GLP). We compare the ATZ and GLP biodegraded fractions estimated with ψ_Βagainst those predicted with bioreactive models accounting for more comprehensive ATZ and GLP biodegradation reaction networks. Our analyses show that ψ_Βmatched relativity well the biodegraded fraction predicted by the mechanistic model, with ψ_Βcalculated using the MMM framework providing a more accurate result. We conclude that ψ_Βcan be used to scale the predicted environmental concentration of a contaminant to account for its biodegradation potential in simplistic transport models.

Original language	English
Pages (from-to)	108-120
Number of pages	13
Journal	Mathematics and Computers in Simulation
Volume	175
Early online date	20 Aug 2019
DOIs	https://doi.org/10.1016/j.matcom.2019.08.009
Publication status	Published - Sept 2020
Externally published	Yes

Keywords

Atrazine
Glyphosate
Agrochemicals
Contamination
Ecological risk index
Specific biomass affinity

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10.1016/j.matcom.2019.08.009

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title = "A simple pre-factor for contaminant biodegradation potential and its application to pesticides risk assessment",

abstract = "In this study, we extend our earlier work presented in the 22nd International Congress on Modelling and Simulation (MODSIM 2017) and propose a simple parametric pre-factor (the biodegradation potential ψΒ ), which can be used to estimate the biodegraded fraction of a contaminant in soil. ψΒ can be determined based on either first-order or Michaelis–Menten–Monod (MMM) kinetics. We show the application in the environmental risk assessments of the herbicides atrazine (ATZ) and glyphosate (GLP). We compare the ATZ and GLP biodegraded fractions estimated with ψΒ against those predicted with bioreactive models accounting for more comprehensive ATZ and GLP biodegradation reaction networks. Our analyses show that ψΒ matched relativity well the biodegraded fraction predicted by the mechanistic model, with ψΒ calculated using the MMM framework providing a more accurate result. We conclude that ψΒ can be used to scale the predicted environmental concentration of a contaminant to account for its biodegradation potential in simplistic transport models.",

keywords = "Atrazine, Glyphosate, Agrochemicals, Contamination, Ecological risk index, Specific biomass affinity",

author = "Tang, {Fiona H. M.} and {la Cecilia}, Daniele and Vervoort, {R. Willem} and Coleman, {Nicholas V.} and Chris Conoley and Federico Maggi",

year = "2020",

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doi = "10.1016/j.matcom.2019.08.009",

language = "English",

volume = "175",

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journal = "Mathematics and Computers in Simulation",

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T1 - A simple pre-factor for contaminant biodegradation potential and its application to pesticides risk assessment

AU - Tang, Fiona H. M.

AU - la Cecilia, Daniele

AU - Vervoort, R. Willem

AU - Coleman, Nicholas V.

AU - Conoley, Chris

AU - Maggi, Federico

PY - 2020/9

Y1 - 2020/9

N2 - In this study, we extend our earlier work presented in the 22nd International Congress on Modelling and Simulation (MODSIM 2017) and propose a simple parametric pre-factor (the biodegradation potential ψΒ ), which can be used to estimate the biodegraded fraction of a contaminant in soil. ψΒ can be determined based on either first-order or Michaelis–Menten–Monod (MMM) kinetics. We show the application in the environmental risk assessments of the herbicides atrazine (ATZ) and glyphosate (GLP). We compare the ATZ and GLP biodegraded fractions estimated with ψΒ against those predicted with bioreactive models accounting for more comprehensive ATZ and GLP biodegradation reaction networks. Our analyses show that ψΒ matched relativity well the biodegraded fraction predicted by the mechanistic model, with ψΒ calculated using the MMM framework providing a more accurate result. We conclude that ψΒ can be used to scale the predicted environmental concentration of a contaminant to account for its biodegradation potential in simplistic transport models.

AB - In this study, we extend our earlier work presented in the 22nd International Congress on Modelling and Simulation (MODSIM 2017) and propose a simple parametric pre-factor (the biodegradation potential ψΒ ), which can be used to estimate the biodegraded fraction of a contaminant in soil. ψΒ can be determined based on either first-order or Michaelis–Menten–Monod (MMM) kinetics. We show the application in the environmental risk assessments of the herbicides atrazine (ATZ) and glyphosate (GLP). We compare the ATZ and GLP biodegraded fractions estimated with ψΒ against those predicted with bioreactive models accounting for more comprehensive ATZ and GLP biodegradation reaction networks. Our analyses show that ψΒ matched relativity well the biodegraded fraction predicted by the mechanistic model, with ψΒ calculated using the MMM framework providing a more accurate result. We conclude that ψΒ can be used to scale the predicted environmental concentration of a contaminant to account for its biodegradation potential in simplistic transport models.

KW - Atrazine

KW - Glyphosate

KW - Agrochemicals

KW - Contamination

KW - Ecological risk index

KW - Specific biomass affinity

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U2 - 10.1016/j.matcom.2019.08.009

DO - 10.1016/j.matcom.2019.08.009

M3 - Article

SN - 0378-4754

VL - 175

SP - 108

EP - 120

JO - Mathematics and Computers in Simulation

JF - Mathematics and Computers in Simulation

ER -

A simple pre-factor for contaminant biodegradation potential and its application to pesticides risk assessment

Abstract

Keywords

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