Parameterizing the binding properties of dissolved organic matter with default values skews the prediction of copper solution speciation and ecotoxicity in soil
Parameterizing speciation models by setting the percentage of dissolved organic matter (DOM) that is reactive (% r-DOM) toward metal cations at a single 65% default value is very common in predictive ecotoxicology. The authors tested this practice by comparing the free copper activity (pCu2+ = –log10[Cu2+]) measured in 55 soil sample solutions with pCu2+ predicted with the Windermere humic aqueous model (WHAM) parameterized by default. Predictions of Cu toxicity to soil organisms based on measured or predicted pCu2+ were also compared. Default WHAM parameterization substantially skewed the prediction of measured pCu2+ by up to 2.7 pCu2+ units (root mean square residual = 0.75–1.3) and subsequently the prediction of Cu toxicity for microbial functions, invertebrates, and plants by up to 36%, 45%, and 59% (root mean square residuals ≤9 %, 11%, and 17%), respectively. Reparametrizing WHAM by optimizing the 2 DOM binding properties (i.e., % r-DOM and the Cu complexation constant) within a physically realistic value range much improved the prediction of measured pCu2+ (root mean square residual = 0.14–0.25). Accordingly, this WHAM parameterization successfully predicted Cu toxicity for microbial functions, invertebrates, and plants (root mean square residual ≤3.4%, 4.4%, and 5.8%, respectively). Thus, it is essential to account for the real heterogeneity in DOM binding properties for relatively accurate prediction of Cu speciation in soil solution and Cu toxic effects on soil organisms.
Main Authors: | , , , |
---|---|
Format: | article biblioteca |
Language: | eng |
Subjects: | P33 - Chimie et physique du sol, P34 - Biologie du sol, matière organique du sol, acide fulvique, modèle mathématique, complexation, cuivre, toxicité, type de sol, propriété physicochimique du sol, organisme du sol, http://aims.fao.org/aos/agrovoc/c_35657, http://aims.fao.org/aos/agrovoc/c_15972, http://aims.fao.org/aos/agrovoc/c_24199, http://aims.fao.org/aos/agrovoc/c_28303, http://aims.fao.org/aos/agrovoc/c_1868, http://aims.fao.org/aos/agrovoc/c_7826, http://aims.fao.org/aos/agrovoc/c_7204, http://aims.fao.org/aos/agrovoc/c_7182, http://aims.fao.org/aos/agrovoc/c_33552, http://aims.fao.org/aos/agrovoc/c_3081, http://aims.fao.org/aos/agrovoc/c_6543, http://aims.fao.org/aos/agrovoc/c_5155, |
Online Access: | http://agritrop.cirad.fr/582583/ http://agritrop.cirad.fr/582583/2/ETC_Djae_RHIZOtest%20Bulk%20Soil%20WHAM%20Cu%20Speciation_SD.pdf |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
id |
dig-cirad-fr-582583 |
---|---|
record_format |
koha |
spelling |
dig-cirad-fr-5825832024-01-28T23:53:30Z http://agritrop.cirad.fr/582583/ http://agritrop.cirad.fr/582583/ Parameterizing the binding properties of dissolved organic matter with default values skews the prediction of copper solution speciation and ecotoxicity in soil. Djae Tanalou, Bravin Matthieu, Garnier Cédric, Doelsch Emmanuel. 2017. Environmental Toxicology and Chemistry, 36 (4) : 898-905.https://doi.org/10.1002/etc.3622 <https://doi.org/10.1002/etc.3622> Parameterizing the binding properties of dissolved organic matter with default values skews the prediction of copper solution speciation and ecotoxicity in soil Djae, Tanalou Bravin, Matthieu Garnier, Cédric Doelsch, Emmanuel eng 2017 Environmental Toxicology and Chemistry P33 - Chimie et physique du sol P34 - Biologie du sol matière organique du sol acide fulvique modèle mathématique complexation cuivre toxicité type de sol propriété physicochimique du sol organisme du sol http://aims.fao.org/aos/agrovoc/c_35657 http://aims.fao.org/aos/agrovoc/c_15972 http://aims.fao.org/aos/agrovoc/c_24199 http://aims.fao.org/aos/agrovoc/c_28303 http://aims.fao.org/aos/agrovoc/c_1868 http://aims.fao.org/aos/agrovoc/c_7826 http://aims.fao.org/aos/agrovoc/c_7204 http://aims.fao.org/aos/agrovoc/c_7182 http://aims.fao.org/aos/agrovoc/c_33552 France La Réunion Nouvelle-Calédonie http://aims.fao.org/aos/agrovoc/c_3081 http://aims.fao.org/aos/agrovoc/c_6543 http://aims.fao.org/aos/agrovoc/c_5155 Parameterizing speciation models by setting the percentage of dissolved organic matter (DOM) that is reactive (% r-DOM) toward metal cations at a single 65% default value is very common in predictive ecotoxicology. The authors tested this practice by comparing the free copper activity (pCu2+ = –log10[Cu2+]) measured in 55 soil sample solutions with pCu2+ predicted with the Windermere humic aqueous model (WHAM) parameterized by default. Predictions of Cu toxicity to soil organisms based on measured or predicted pCu2+ were also compared. Default WHAM parameterization substantially skewed the prediction of measured pCu2+ by up to 2.7 pCu2+ units (root mean square residual = 0.75–1.3) and subsequently the prediction of Cu toxicity for microbial functions, invertebrates, and plants by up to 36%, 45%, and 59% (root mean square residuals ≤9 %, 11%, and 17%), respectively. Reparametrizing WHAM by optimizing the 2 DOM binding properties (i.e., % r-DOM and the Cu complexation constant) within a physically realistic value range much improved the prediction of measured pCu2+ (root mean square residual = 0.14–0.25). Accordingly, this WHAM parameterization successfully predicted Cu toxicity for microbial functions, invertebrates, and plants (root mean square residual ≤3.4%, 4.4%, and 5.8%, respectively). Thus, it is essential to account for the real heterogeneity in DOM binding properties for relatively accurate prediction of Cu speciation in soil solution and Cu toxic effects on soil organisms. article info:eu-repo/semantics/article Journal Article info:eu-repo/semantics/acceptedVersion http://agritrop.cirad.fr/582583/2/ETC_Djae_RHIZOtest%20Bulk%20Soil%20WHAM%20Cu%20Speciation_SD.pdf text cc_0 info:eu-repo/semantics/openAccess https://creativecommons.org/publicdomain/zero/1.0/ https://doi.org/10.1002/etc.3622 10.1002/etc.3622 info:eu-repo/semantics/altIdentifier/doi/10.1002/etc.3622 info:eu-repo/semantics/altIdentifier/purl/https://doi.org/10.1002/etc.3622 |
institution |
CIRAD FR |
collection |
DSpace |
country |
Francia |
countrycode |
FR |
component |
Bibliográfico |
access |
En linea |
databasecode |
dig-cirad-fr |
tag |
biblioteca |
region |
Europa del Oeste |
libraryname |
Biblioteca del CIRAD Francia |
language |
eng |
topic |
P33 - Chimie et physique du sol P34 - Biologie du sol matière organique du sol acide fulvique modèle mathématique complexation cuivre toxicité type de sol propriété physicochimique du sol organisme du sol http://aims.fao.org/aos/agrovoc/c_35657 http://aims.fao.org/aos/agrovoc/c_15972 http://aims.fao.org/aos/agrovoc/c_24199 http://aims.fao.org/aos/agrovoc/c_28303 http://aims.fao.org/aos/agrovoc/c_1868 http://aims.fao.org/aos/agrovoc/c_7826 http://aims.fao.org/aos/agrovoc/c_7204 http://aims.fao.org/aos/agrovoc/c_7182 http://aims.fao.org/aos/agrovoc/c_33552 http://aims.fao.org/aos/agrovoc/c_3081 http://aims.fao.org/aos/agrovoc/c_6543 http://aims.fao.org/aos/agrovoc/c_5155 P33 - Chimie et physique du sol P34 - Biologie du sol matière organique du sol acide fulvique modèle mathématique complexation cuivre toxicité type de sol propriété physicochimique du sol organisme du sol http://aims.fao.org/aos/agrovoc/c_35657 http://aims.fao.org/aos/agrovoc/c_15972 http://aims.fao.org/aos/agrovoc/c_24199 http://aims.fao.org/aos/agrovoc/c_28303 http://aims.fao.org/aos/agrovoc/c_1868 http://aims.fao.org/aos/agrovoc/c_7826 http://aims.fao.org/aos/agrovoc/c_7204 http://aims.fao.org/aos/agrovoc/c_7182 http://aims.fao.org/aos/agrovoc/c_33552 http://aims.fao.org/aos/agrovoc/c_3081 http://aims.fao.org/aos/agrovoc/c_6543 http://aims.fao.org/aos/agrovoc/c_5155 |
spellingShingle |
P33 - Chimie et physique du sol P34 - Biologie du sol matière organique du sol acide fulvique modèle mathématique complexation cuivre toxicité type de sol propriété physicochimique du sol organisme du sol http://aims.fao.org/aos/agrovoc/c_35657 http://aims.fao.org/aos/agrovoc/c_15972 http://aims.fao.org/aos/agrovoc/c_24199 http://aims.fao.org/aos/agrovoc/c_28303 http://aims.fao.org/aos/agrovoc/c_1868 http://aims.fao.org/aos/agrovoc/c_7826 http://aims.fao.org/aos/agrovoc/c_7204 http://aims.fao.org/aos/agrovoc/c_7182 http://aims.fao.org/aos/agrovoc/c_33552 http://aims.fao.org/aos/agrovoc/c_3081 http://aims.fao.org/aos/agrovoc/c_6543 http://aims.fao.org/aos/agrovoc/c_5155 P33 - Chimie et physique du sol P34 - Biologie du sol matière organique du sol acide fulvique modèle mathématique complexation cuivre toxicité type de sol propriété physicochimique du sol organisme du sol http://aims.fao.org/aos/agrovoc/c_35657 http://aims.fao.org/aos/agrovoc/c_15972 http://aims.fao.org/aos/agrovoc/c_24199 http://aims.fao.org/aos/agrovoc/c_28303 http://aims.fao.org/aos/agrovoc/c_1868 http://aims.fao.org/aos/agrovoc/c_7826 http://aims.fao.org/aos/agrovoc/c_7204 http://aims.fao.org/aos/agrovoc/c_7182 http://aims.fao.org/aos/agrovoc/c_33552 http://aims.fao.org/aos/agrovoc/c_3081 http://aims.fao.org/aos/agrovoc/c_6543 http://aims.fao.org/aos/agrovoc/c_5155 Djae, Tanalou Bravin, Matthieu Garnier, Cédric Doelsch, Emmanuel Parameterizing the binding properties of dissolved organic matter with default values skews the prediction of copper solution speciation and ecotoxicity in soil |
description |
Parameterizing speciation models by setting the percentage of dissolved organic matter (DOM) that is reactive (% r-DOM) toward metal cations at a single 65% default value is very common in predictive ecotoxicology. The authors tested this practice by comparing the free copper activity (pCu2+ = –log10[Cu2+]) measured in 55 soil sample solutions with pCu2+ predicted with the Windermere humic aqueous model (WHAM) parameterized by default. Predictions of Cu toxicity to soil organisms based on measured or predicted pCu2+ were also compared. Default WHAM parameterization substantially skewed the prediction of measured pCu2+ by up to 2.7 pCu2+ units (root mean square residual = 0.75–1.3) and subsequently the prediction of Cu toxicity for microbial functions, invertebrates, and plants by up to 36%, 45%, and 59% (root mean square residuals ≤9 %, 11%, and 17%), respectively. Reparametrizing WHAM by optimizing the 2 DOM binding properties (i.e., % r-DOM and the Cu complexation constant) within a physically realistic value range much improved the prediction of measured pCu2+ (root mean square residual = 0.14–0.25). Accordingly, this WHAM parameterization successfully predicted Cu toxicity for microbial functions, invertebrates, and plants (root mean square residual ≤3.4%, 4.4%, and 5.8%, respectively). Thus, it is essential to account for the real heterogeneity in DOM binding properties for relatively accurate prediction of Cu speciation in soil solution and Cu toxic effects on soil organisms. |
format |
article |
topic_facet |
P33 - Chimie et physique du sol P34 - Biologie du sol matière organique du sol acide fulvique modèle mathématique complexation cuivre toxicité type de sol propriété physicochimique du sol organisme du sol http://aims.fao.org/aos/agrovoc/c_35657 http://aims.fao.org/aos/agrovoc/c_15972 http://aims.fao.org/aos/agrovoc/c_24199 http://aims.fao.org/aos/agrovoc/c_28303 http://aims.fao.org/aos/agrovoc/c_1868 http://aims.fao.org/aos/agrovoc/c_7826 http://aims.fao.org/aos/agrovoc/c_7204 http://aims.fao.org/aos/agrovoc/c_7182 http://aims.fao.org/aos/agrovoc/c_33552 http://aims.fao.org/aos/agrovoc/c_3081 http://aims.fao.org/aos/agrovoc/c_6543 http://aims.fao.org/aos/agrovoc/c_5155 |
author |
Djae, Tanalou Bravin, Matthieu Garnier, Cédric Doelsch, Emmanuel |
author_facet |
Djae, Tanalou Bravin, Matthieu Garnier, Cédric Doelsch, Emmanuel |
author_sort |
Djae, Tanalou |
title |
Parameterizing the binding properties of dissolved organic matter with default values skews the prediction of copper solution speciation and ecotoxicity in soil |
title_short |
Parameterizing the binding properties of dissolved organic matter with default values skews the prediction of copper solution speciation and ecotoxicity in soil |
title_full |
Parameterizing the binding properties of dissolved organic matter with default values skews the prediction of copper solution speciation and ecotoxicity in soil |
title_fullStr |
Parameterizing the binding properties of dissolved organic matter with default values skews the prediction of copper solution speciation and ecotoxicity in soil |
title_full_unstemmed |
Parameterizing the binding properties of dissolved organic matter with default values skews the prediction of copper solution speciation and ecotoxicity in soil |
title_sort |
parameterizing the binding properties of dissolved organic matter with default values skews the prediction of copper solution speciation and ecotoxicity in soil |
url |
http://agritrop.cirad.fr/582583/ http://agritrop.cirad.fr/582583/2/ETC_Djae_RHIZOtest%20Bulk%20Soil%20WHAM%20Cu%20Speciation_SD.pdf |
work_keys_str_mv |
AT djaetanalou parameterizingthebindingpropertiesofdissolvedorganicmatterwithdefaultvaluesskewsthepredictionofcoppersolutionspeciationandecotoxicityinsoil AT bravinmatthieu parameterizingthebindingpropertiesofdissolvedorganicmatterwithdefaultvaluesskewsthepredictionofcoppersolutionspeciationandecotoxicityinsoil AT garniercedric parameterizingthebindingpropertiesofdissolvedorganicmatterwithdefaultvaluesskewsthepredictionofcoppersolutionspeciationandecotoxicityinsoil AT doelschemmanuel parameterizingthebindingpropertiesofdissolvedorganicmatterwithdefaultvaluesskewsthepredictionofcoppersolutionspeciationandecotoxicityinsoil |
_version_ |
1792499165238919168 |