Understanding speciation and solvation of glyphosate from first principles simulations

Windom, Zachary W.; Datta, Mayukh; Huda, Md Masrul; Sabuj, Md Abdus; Rai, Neeraj

doi:10.1016/j.molliq.2022.120154

Cited by 6 publications

(2 citation statements)

References 73 publications

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“…Sub-bituminous coal contains COOH and OH functional groups, which can increase soil pH when applied to soil (Prasetyo et al, 2023). According to Windom et al (2022), the distribution of glyphosate species as a function of pH with acid dissociation constants (pKa1 = 2.22, pKa2 = 5.44, and pKa3 = 10.13) at the carboxyl and amino groups. Glyphosate belongs to the anion group and can only be adsorbed on variable-charged surfaces, not on permanently (negatively) charged surfaces.…”

Section: Effect Of Contamination From Glyphosate On Surface Change Of...mentioning

confidence: 99%

Effect of glyphosate contamination on surface charge change and nutrients of degraded Inceptisols ameliorated with sub-bituminous coal

Herviyanti,

Maulana,

Harianti

et al. 2024

J. Degrade. Min. Land Manage.

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The widespread use of glyphosate to eradicate weeds in agricultural areas has the potential for contamination and residues in the soil that must be carefully considered. This study aimed to elucidate the effect of glyphosate contamination on the chemical properties of an Inceptisol ameliorated with sub-bituminous coal. This study used a completely randomized design with three treatments and three replications, namely A = control (soil with no glyphosate and sub-bituminous coal), B = 5 kg soil + 100 mg glyphosate L-1, and C = 5 kg soil + 40 t sub-bituminous coal ha-1 + 100 mg glyphosate L-1. The results showed that glyphosate contamination significantly affected pH, electrical conductivity (EC), mineral and organic matter (OM) composition, cation exchange capacity (CEC), organic carbon (OC), total N, and available P of an Inceptisol ameliorated with sub-bituminous coal. The application of 40 t sub-bituminous coal ha-1 as an alternative ameliorant improved pH H2O by 0.30, EC by 0.05 dS m-1, OM by 1.03%, CEC by 18.08 cmol(+) kg-1, OC by 1.16%, total N by 0.20% and available P by 5.47 ppm of the soil compared to the control. The residual glyphosate concentration in the soil ameliorated with sub-bituminous coal was 0.04 mg kg-1 compared to the initial glyphosate concentration of 100 mg L-1. The correlation between glyphosate residue had no significant relationship with the chemical properties of an Inceptisol ameliorated with sub-bituminous coal.

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Section: Effect Of Contamination From Glyphosate On Surface Change Of...mentioning

confidence: 99%

Effect of glyphosate contamination on surface charge change and nutrients of degraded Inceptisols ameliorated with sub-bituminous coal

Herviyanti,

Maulana,

Harianti

et al. 2024

J. Degrade. Min. Land Manage.

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“…Biochar contains OH functional groups, which can increase soil pH when added to it. Glyphosate belongs to anions in the relevant soil pH range and can only be adsorbed on variable charged surfaces, not permanently (negatively) charged surfaces, on the distribution of glyphosate species as a function of pH with acid dissociation constants (pKa1 = 2.22, pKa2 = 5.44, and pKa3 = 10.13) of carboxyl and amino groups [25]. The increase in CEC of Inceptisols due to the effect of biochar application is determined by a simple force balance involving an electric field and solution viscosity resistance.…”

Section: The Impact Of Glyphosate On Surface Change Of Inceptisols Am...mentioning

confidence: 99%

Impact of Glyphosate Contamination on Chemical Properties of Inceptisols Amelioration with Biochar from Rice Husks, Young Coconut Waste, and Bamboo

Herviyanti,

Maulana,

Lita

et al. 2023

BIO Web Conf.

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Growing concerns over glyphosate herbicides, if not applied carefully, can have unintended consequences on agroecosystems. The objective of this research was to study glyphosate contamination on the chemical properties of Inceptisols ameliorated with biochar of rice husk (B-RH), young coconut waste (B-YCW), and bamboo (B-B). This study used a completely randomized design (CRD) with five treatments and three replications, namely A = Control (without ameliorants and glyphosate); B = Soil + 100 mg l-1 glyphosate; and C = Soil + B-RH + 100 mg l-1 glyphosate; D = Soil + B-YCW + 100 mg l-1 glyphosate and E = Soil + B-B + 100 mg l-1 glyphosate. The results showed that contamination from glyphosate had a significant effect on surface changes (pH, EC, CEC, Mineral, and SOM) and nutrients (SOC, total N, and available P) of Inceptisols that had been improved with 40 t ha-1 biochar. The correlation and equation of linear regression between residues on glyphosate (RG) had a significant interaction with chemical properties of Inceptisols amended with biochar, namely exchangeable Ca [r=0.611* and RG=0.0232(Ca)-0.0079; R²=0.3728]. CEC [r=0.593* and RG=0.0018 (CEC)-0.0312; R²=0.3514]; available P [r=0.590* and RG=0.0061(P2O5)-0.0232; R²=0.3472] and total N [r=0.570* and RG=0.257(N)-0.0621; R²=0.4312].

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Understanding the adsorption of imidazole corrosion inhibitor at the copper/water interface by ab initio molecular dynamics

Guo,

Zhang,

et al. 2024

Corrosion Science

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Understanding speciation and solvation of glyphosate from first principles simulations

Cited by 6 publications

References 73 publications

Effect of glyphosate contamination on surface charge change and nutrients of degraded Inceptisols ameliorated with sub-bituminous coal

Effect of glyphosate contamination on surface charge change and nutrients of degraded Inceptisols ameliorated with sub-bituminous coal

Impact of Glyphosate Contamination on Chemical Properties of Inceptisols Amelioration with Biochar from Rice Husks, Young Coconut Waste, and Bamboo

Understanding the adsorption of imidazole corrosion inhibitor at the copper/water interface by ab initio molecular dynamics

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