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dc.contributor.authorKaur, Sukhmanpreet
dc.contributor.authorKumar, Vijay
dc.contributor.authorChawla, Mohit
dc.contributor.authorCavallo, Luigi
dc.contributor.authorPoater, Albert
dc.contributor.authorUpadhyay, Niraj
dc.date.accessioned2017-07-06T09:43:06Z
dc.date.available2017-07-06T09:43:06Z
dc.date.issued2017-07-04
dc.identifier.citationKaur S, Kumar V, Chawla M, Cavallo L, Poater A, et al. (2017) Pesticides Curbing Soil Fertility: Effect of Complexation of Free Metal Ions. Frontiers in Chemistry 5. Available: http://dx.doi.org/10.3389/fchem.2017.00043.
dc.identifier.issn2296-2646
dc.identifier.pmid28725644
dc.identifier.doi10.3389/fchem.2017.00043
dc.identifier.urihttp://hdl.handle.net/10754/625168
dc.description.abstractResearchers have suggested that the reason behind infertility is pernicious effect of broad spectrum pesticides on non target, beneficial microorganism of soil. Here, studying the chelating effect of selective organophosphate and carbamate pesticides with essential metal ions, at all possible combinations of three different pH (4 ± 0.05, 7 ± 0.05 and 9 ± 0.05) and three different temperatures (15 ± 0.5°C, 30 ± 0.5°C and 45 ± 0.5°C), shows very fast rate of reaction which further increases with increase of pH and temperature. Carbonyl oxygen of carbamate and phosphate oxygen of organophosphate were found to be common ligating sites among all the complexes. Formed metal complexes were found to be highly stable and water insoluble on interaction with essential metal ions in solvent medium as well as over silica. Density functional theory (DFT) calculations not only reinforced the experimental observations, but, after a wide computational conformational analysis, unraveled the nature of the high stable undesired species that consist of pesticides complexed by metal ions from the soil. All in all, apart from the direct toxicity of pesticides, the indirect effect by means of complexation of free metal ions impoverishes the soil.
dc.description.sponsorshipThis work is supported (financially) by UGC, India through UGC- start-up grant provided to NU (No.F. 30-70/2014) and by Rajiv Gandhi National Fellowship scheme awarded to VK (RGNF-SCHIM-1223). Authors are thankful to Gautami Ltd. India, for providing active component of technical grade pesticides. Authors also like to acknowledge SIC, Dr. H.S. Gour University, SAIF, Panjab University Chandigarh, SAIF IIT Madras and SAIF Kochi Kerala for instrumental support. AP thanks the Spanish MINECO for a project CTQ2014-59832-JIN. MC and LC thank King Abdullah University of Science and Technology for support.
dc.publisherFrontiers Media SA
dc.relation.urlhttp://journal.frontiersin.org/article/10.3389/fchem.2017.00043/full
dc.rightsThis is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.titlePesticides Curbing Soil Fertility: Effect of Complexation of Free Metal Ions
dc.typeArticle
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.identifier.journalFrontiers in Chemistry
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionDepartment of Chemistry, Lovely Professional University, Jalandhar, India
dc.contributor.institutionRegional Ayurveda Research Institute for Drug Development, Gwalior, India
dc.contributor.institutionDepartament de Química, Facultat de Ciències, Institut de Química Computacional i Catàlisi, Universitat de Girona, Girona, Spain
dc.contributor.institutionDepartment of Chemistry, Dr. Harisingh Gour Vishwavidyalaya, Sagar, India
kaust.personChawla, Mohit
kaust.personCavallo, Luigi
kaust.personPoater, Albert
refterms.dateFOA2018-06-13T14:45:13Z


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This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
Except where otherwise noted, this item's license is described as This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.