{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,7]],"date-time":"2025-11-07T09:52:38Z","timestamp":1762509158601,"version":"3.37.3"},"reference-count":63,"publisher":"Springer Science and Business Media LLC","issue":"36","license":[{"start":{"date-parts":[[2024,7,29]],"date-time":"2024-07-29T00:00:00Z","timestamp":1722211200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2024,7,29]],"date-time":"2024-07-29T00:00:00Z","timestamp":1722211200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"funder":[{"name":"Extreme Science and Engineering Discovery Environment (XSEDE),","award":["OCI-1053575"],"award-info":[{"award-number":["OCI-1053575"]}]},{"DOI":"10.13039\/501100001665","name":"French National Research Agency","doi-asserted-by":"crossref","award":["ANR-11-LABX-005-01"],"award-info":[{"award-number":["ANR-11-LABX-005-01"]}],"id":[{"id":"10.13039\/501100001665","id-type":"DOI","asserted-by":"crossref"}]},{"name":"Institut de Recherches Pluridisciplinaires en Sciences de l\u2019Environnement","award":["IRePSE Fed 4129"],"award-info":[{"award-number":["IRePSE Fed 4129"]}]}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Environ Sci Pollut Res"],"DOI":"10.1007\/s11356-024-34453-w","type":"journal-article","created":{"date-parts":[[2024,7,29]],"date-time":"2024-07-29T10:02:56Z","timestamp":1722247376000},"page":"49427-49439","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Oxidation of metazachlor herbicide by ozone in the gas and aqueous phases: mechanistic, kinetics, and ecotoxicity studies"],"prefix":"10.1007","volume":"31","author":[{"given":"Cam-Tu","family":"Phan Dang","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dinh Hieu","family":"Truong","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Thi Le Anh","family":"Nguyen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sonia","family":"Taamalli","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Abderrahman","family":"El Bakali","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Florent","family":"Louis","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0896-5168","authenticated-orcid":false,"given":"Duy Quang","family":"Dao","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2024,7,29]]},"reference":[{"key":"34453_CR1","doi-asserted-by":"publisher","first-page":"103","DOI":"10.1016\/j.jpolmod.2023.01.001","volume":"45","author":"K Barnor","year":"2023","unstructured":"Barnor K, Caton J, Miljkovic D (2023) The role of funding on research and science: the impact of glyphosate herbicides on health and the environment. J Policy Model 45:103\u2013120. https:\/\/doi.org\/10.1016\/j.jpolmod.2023.01.001","journal-title":"J Policy Model"},{"key":"34453_CR2","doi-asserted-by":"publisher","first-page":"98","DOI":"10.1016\/j.atmosenv.2012.02.019","volume":"55","author":"TJ Barnum","year":"2012","unstructured":"Barnum TJ, Medeiros N, Hinrichs RZ (2012) Condensed-phase versus gas-phase ozonolysis of catechol: A combined experimental and theoretical study. Atmos Environ 55:98\u2013106. https:\/\/doi.org\/10.1016\/j.atmosenv.2012.02.019","journal-title":"Atmos Environ"},{"key":"34453_CR3","doi-asserted-by":"publisher","first-page":"126161","DOI":"10.1016\/j.jclepro.2021.126161","volume":"293","author":"X Bo","year":"2021","unstructured":"Bo X, Sun J, Mei Q, Wei B, An Z, Qiu Z, Han D, Xie J, He M (2021) Theoretical insights into the degradation of tyrosol stimulated by hydroxyl and sulfate radicals in wastewater and ecotoxicity evaluation. J Clean Prod 293:126161. https:\/\/doi.org\/10.1016\/j.jclepro.2021.126161","journal-title":"J Clean Prod"},{"key":"34453_CR4","doi-asserted-by":"publisher","first-page":"266","DOI":"10.1063\/1.469639","volume":"103","author":"P Borowski","year":"1995","unstructured":"Borowski P, Roos BO, Racine SC, Lee TJ, Carter S (1995) The ozonide anion: a theoretical study. J Chem Phys 103:266\u2013273. https:\/\/doi.org\/10.1063\/1.469639","journal-title":"J Chem Phys"},{"key":"34453_CR5","doi-asserted-by":"publisher","first-page":"e202205735","DOI":"10.1002\/anie.202205735","volume":"61","author":"M Bursch","year":"2022","unstructured":"Bursch M, Mewes J-M, Hansen A, Grimme S (2022) Best-practice DFT protocols for basic molecular computational chemistry. Angew Chem Int Ed 61:e202205735. https:\/\/doi.org\/10.1002\/anie.202205735","journal-title":"Angew Chem Int Ed"},{"key":"34453_CR6","doi-asserted-by":"publisher","first-page":"386","DOI":"10.1016\/j.scitotenv.2016.10.216","volume":"577","author":"Z Chen","year":"2017","unstructured":"Chen Z, Chen Y, Vymazal J, Kule L, Ko\u017eeluh M (2017) Dynamics of chloroacetanilide herbicides in various types of mesocosm wetlands. Sci Total Environ 577:386\u2013394. https:\/\/doi.org\/10.1016\/j.scitotenv.2016.10.216","journal-title":"Sci Total Environ"},{"key":"34453_CR7","doi-asserted-by":"publisher","first-page":"790","DOI":"10.1021\/acs.jpca.9b09638","volume":"124","author":"JR Church","year":"2020","unstructured":"Church JR, Vaida V, Skodje RT (2020) Gas-phase reaction kinetics of pyruvic acid with OH radicals: the role of tunneling, complex formation, and conformational structure. J Phys Chem A 124:790\u2013800. https:\/\/doi.org\/10.1021\/acs.jpca.9b09638","journal-title":"J Phys Chem A"},{"key":"34453_CR8","doi-asserted-by":"publisher","first-page":"137234","DOI":"10.1016\/j.chemosphere.2022.137234","volume":"312","author":"DQ Dao","year":"2023","unstructured":"Dao DQ, Taamalli S, Louis F, Kdouh D, Srour Z, Ngo TC, Truong DH, F\u00e8vre-Nollet V, Ribaucour M, El Bakali A, \u010cernu\u015b\u00e1k I (2023) Hydroxyl radical-initiated decomposition of metazachlor herbicide in the gaseous and aqueous phases: Mechanism, kinetics, and toxicity evaluation. Chemosphere 312:137234. https:\/\/doi.org\/10.1016\/j.chemosphere.2022.137234","journal-title":"Chemosphere"},{"key":"34453_CR9","doi-asserted-by":"publisher","first-page":"107","DOI":"10.1002\/qua.24811","volume":"115","author":"P Deglmann","year":"2015","unstructured":"Deglmann P, Sch\u00e4fer A, Lennartz C (2015) Application of quantum calculations in the chemical industry\u2014An overview. Int J Quantum Chem 115:107\u2013136. https:\/\/doi.org\/10.1002\/qua.24811","journal-title":"Int J Quantum Chem"},{"key":"34453_CR10","doi-asserted-by":"publisher","first-page":"107","DOI":"10.1063\/1.1749604","volume":"3","author":"H Eyring","year":"1935","unstructured":"Eyring H (1935) The Activated Complex in Chemical Reactions. J Chem Phys 3:107\u2013115. https:\/\/doi.org\/10.1063\/1.1749604","journal-title":"J Chem Phys"},{"key":"34453_CR11","unstructured":"Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Petersson GA, Nakatsuji H, Li X, Caricato M, Marenich AV, Bloino J, Janesko BG, Gomperts R, Mennucci B, Hratchian HP, Ortiz JV, Izmaylov AF, Sonnenberg JL, Williams-Young D, Ding F, Lipparini F, Egidi F, Goings J, Peng B, Petrone A, Henderson T, Ranasinghe D, Zakrzewski VG, Gao J, Rega N, Zheng G, Liang W, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Throssell K, Jr Montgomery JA, Peralta JE, Ogliaro F, Bearpark MJ, Heyd JJ, Brothers EN, Kudin KN, Staroverov VN, Keith TA, Kobayashi R, Normand J, Raghavachari K, Rendell AP, Burant JC, Iyengar SS, Tomasi J, Cossi M, Millam JM, Klene M, Adamo C, Cammi R, Ochterski JW, Martin RL, Morokuma K, Farkas O, Foresman JB, Fox DJ (2016) Gaussian 16, Revision A.03. Gaussian, Inc., Wallingford CT"},{"key":"34453_CR12","doi-asserted-by":"publisher","first-page":"173","DOI":"10.1016\/0043-1354(83)90098-2","volume":"17","author":"J Hoign\u00e9","year":"1983","unstructured":"Hoign\u00e9 J, Bader H (1983) Rate constants of reactions of ozone with organic and inorganic compounds in water\u2014I: Non-dissociating organic compounds. Water Res 17:173\u2013183. https:\/\/doi.org\/10.1016\/0043-1354(83)90098-2","journal-title":"Water Res"},{"key":"34453_CR13","doi-asserted-by":"publisher","first-page":"361","DOI":"10.1016\/j.scitotenv.2017.09.049","volume":"613\u2013614","author":"M Hv\u011bzdov\u00e1","year":"2018","unstructured":"Hv\u011bzdov\u00e1 M, Kosubov\u00e1 P, Ko\u0161\u00edkov\u00e1 M, Scherr KE, \u0160imek Z, Brodsk\u00fd L, \u0160udoma M, \u0160kulcov\u00e1 L, S\u00e1\u0148ka M, Svobodov\u00e1 M, Krko\u0161kov\u00e1 L, Va\u0161\u00ed\u010dkov\u00e1 J, Neuwirthov\u00e1 N, Bielsk\u00e1 L, Hofman J (2018) Currently and recently used pesticides in Central European arable soils. Sci Total Environ 613\u2013614:361\u2013370. https:\/\/doi.org\/10.1016\/j.scitotenv.2017.09.049","journal-title":"Sci Total Environ"},{"key":"34453_CR14","doi-asserted-by":"publisher","first-page":"25","DOI":"10.1186\/s12302-017-0123-z","volume":"29","author":"P Karier","year":"2017","unstructured":"Karier P, Kraus G, Kolber I (2017) Metazachlor traces in the main drinking water reservoir in Luxembourg: a scientific and political discussion. Environ Sci Eur 29:25. https:\/\/doi.org\/10.1186\/s12302-017-0123-z","journal-title":"Environ Sci Eur"},{"key":"34453_CR15","doi-asserted-by":"publisher","first-page":"1271","DOI":"10.1063\/1.465371","volume":"99","author":"W Koch","year":"1993","unstructured":"Koch W, Frenking G, Steffen G, Reinen D, Jansen M, Assenmacher W (1993) The low lying electronic states of O\u22123. J Chem Phys 99:1271\u20131277. https:\/\/doi.org\/10.1063\/1.465371","journal-title":"J Chem Phys"},{"key":"34453_CR16","doi-asserted-by":"publisher","first-page":"422","DOI":"10.1007\/s10661-020-08392-1","volume":"192","author":"ID Kodranov","year":"2020","unstructured":"Kodranov ID, Pergal MV, Avdin VV, Manojlovi\u0107 DD (2020) Examination of degradation and ecotoxicology of pethoxamid and metazachlor after chlorine dioxide treatment. Environ Monit Assess 192:422. https:\/\/doi.org\/10.1007\/s10661-020-08392-1","journal-title":"Environ Monit Assess"},{"key":"34453_CR17","doi-asserted-by":"publisher","first-page":"55","DOI":"10.1007\/s001289900841","volume":"62","author":"J Kreuger","year":"1999","unstructured":"Kreuger J, Peterson M, Lundgren E (1999) Agricultural inputs of pesticide residues to stream and pond sediments in a small catchment in Southern Sweden. Bull Environ Contam Toxicol 62:55\u201362. https:\/\/doi.org\/10.1007\/s001289900841","journal-title":"Bull Environ Contam Toxicol"},{"key":"34453_CR18","doi-asserted-by":"publisher","first-page":"11713","DOI":"10.1021\/acs.est.1c02556","volume":"55","author":"J Lewer","year":"2021","unstructured":"Lewer J, Huang J, Peloquin J, Kostal J (2021) Structure\u2013energetics\u2013property relationships support computational design of photodegradable pesticides. Environ Sci Technol 55:11713\u201311722. https:\/\/doi.org\/10.1021\/acs.est.1c02556","journal-title":"Environ Sci Technol"},{"key":"34453_CR19","doi-asserted-by":"publisher","first-page":"1050","DOI":"10.1080\/10807039.2015.1133242","volume":"22","author":"KA Lewis","year":"2016","unstructured":"Lewis KA, Tzilivakis J, Warner DJ, Green A (2016) An international database for pesticide risk assessments and management. Hum Ecol Risk Assess Int J 22:1050\u20131064. https:\/\/doi.org\/10.1080\/10807039.2015.1133242","journal-title":"Hum Ecol Risk Assess Int J"},{"key":"34453_CR20","doi-asserted-by":"publisher","first-page":"24735","DOI":"10.1039\/C8CP04947E","volume":"20","author":"M Li","year":"2018","unstructured":"Li M, Liu Y, Wang L (2018) Gas-phase ozonolysis of furans, methylfurans, and dimethylfurans in the atmosphere. Phys Chem Chem Phys 20:24735\u201324743","journal-title":"Phys Chem Chem Phys"},{"key":"34453_CR21","doi-asserted-by":"publisher","first-page":"541","DOI":"10.1016\/j.psep.2022.02.045","volume":"160","author":"X Li","year":"2022","unstructured":"Li X, Lv G, Wang N, Sun X, Li X, Li M (2022) Theoretical insights into the transformation mechanism and eco-toxicity effects of 5-Fluorouracil by O3 and\u00b7OH in waters. Process Saf Environ Prot 160:541\u2013550. https:\/\/doi.org\/10.1016\/j.psep.2022.02.045","journal-title":"Process Saf Environ Prot"},{"key":"34453_CR22","doi-asserted-by":"publisher","first-page":"10463","DOI":"10.1029\/JD090iD06p10463","volume":"90","author":"JA Logan","year":"1985","unstructured":"Logan JA (1985) Tropospheric ozone: Seasonal behavior, trends, and anthropogenic influence. J Geophys Res Atmospheres 90:10463\u201310482. https:\/\/doi.org\/10.1029\/JD090iD06p10463","journal-title":"J Geophys Res Atmospheres"},{"key":"34453_CR23","doi-asserted-by":"publisher","first-page":"580","DOI":"10.1002\/jcc.22885","volume":"33","author":"T Lu","year":"2012","unstructured":"Lu T, Chen F (2012) Multiwfn: A multifunctional wavefunction analyzer. J Comput Chem 33:580\u2013592. https:\/\/doi.org\/10.1002\/jcc.22885","journal-title":"J Comput Chem"},{"key":"34453_CR24","series-title":"Implications in Crop Science","doi-asserted-by":"publisher","first-page":"253","DOI":"10.1007\/978-3-319-27455-3_13","volume-title":"Plant, Soil and Microbes","author":"I Mahmood","year":"2016","unstructured":"Mahmood I, Imadi SR, Shazadi K, Gul A, Hakeem KR (2016) Effects of pesticides on environment. In: Hakeem KR, Akhtar MS, Abdullah SNA (eds) Plant, Soil and Microbes, vol 1. Implications in Crop Science. Springer International Publishing, Cham, pp 253\u2013269. https:\/\/doi.org\/10.1007\/978-3-319-27455-3_13"},{"key":"34453_CR25","doi-asserted-by":"publisher","DOI":"10.1007\/s11356-023-25908-7","author":"V Malinovska","year":"2023","unstructured":"Malinovska V, Kuklina I, Lozek F, Velisek J, Kozak P (2023) Responses of signal crayfish Pacifastacus leniusculus to single short-term pulse exposure of pesticides at environmentally relevant concentrations. Environ Sci Pollut Res. https:\/\/doi.org\/10.1007\/s11356-023-25908-7","journal-title":"Environ Sci Pollut Res"},{"key":"34453_CR26","doi-asserted-by":"publisher","first-page":"966","DOI":"10.1063\/1.1742723","volume":"24","author":"RA Marcus","year":"1956","unstructured":"Marcus RA (1956) On the Theory of Oxidation-Reduction Reactions Involving Electron Transfer. I J Chem Phys 24:966\u2013978. https:\/\/doi.org\/10.1063\/1.1742723","journal-title":"I J Chem Phys"},{"key":"34453_CR27","doi-asserted-by":"publisher","first-page":"867","DOI":"10.1063\/1.1743423","volume":"26","author":"RA Marcus","year":"1957","unstructured":"Marcus RA (1957a) On the theory of oxidation-reduction reactions involving electron transfer. II. Applications to Data on the Rates of Isotopic Exchange Reactions. J Chem Phys 26:867\u2013871. https:\/\/doi.org\/10.1063\/1.1743423","journal-title":"J Chem Phys"},{"key":"34453_CR28","doi-asserted-by":"publisher","first-page":"872","DOI":"10.1063\/1.1743424","volume":"26","author":"RA Marcus","year":"1957","unstructured":"Marcus RA (1957b) On the theory of oxidation-reduction reactions involving electron transfer. III. Applications to Data on the Rates of Organic Redox Reactions. J Chem Phys 26:872\u2013877. https:\/\/doi.org\/10.1063\/1.1743424","journal-title":"J Chem Phys"},{"key":"34453_CR29","doi-asserted-by":"publisher","first-page":"1111","DOI":"10.1002\/anie.199311113","volume":"32","author":"RA Marcus","year":"1993","unstructured":"Marcus RA (1993) Electron transfer reactions in chemistry: theory and experiment (Nobel Lecture). Angew Chem Int Ed Engl 32:1111\u20131121. https:\/\/doi.org\/10.1002\/anie.199311113","journal-title":"Angew Chem Int Ed Engl"},{"key":"34453_CR30","doi-asserted-by":"publisher","first-page":"6378","DOI":"10.1021\/jp810292n","volume":"113","author":"AV Marenich","year":"2009","unstructured":"Marenich AV, Cramer CJ, Truhlar DG (2009) Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions. J Phys Chem B 113:6378\u20136396. https:\/\/doi.org\/10.1021\/jp810292n","journal-title":"J Phys Chem B"},{"key":"34453_CR31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.est.3c08488","author":"L Mayer","year":"2024","unstructured":"Mayer L, Degrendele C, \u0160enk P, Kohoutek J, P\u0159ibylov\u00e1 P, Kuku\u010dka P, Melymuk L, Durand A, Ravier S, Alastuey A, Baker AR, Baltensperger U, Baumann-Stanzer K, Biermann T, Bohlin-Nizzetto P, Ceburnis D, Conil S, Couret C, Deg\u00f3rska A, Diapouli E, Eckhardt S, Eleftheriadis K, Forster GL, Freier K, Gheusi F, Gini MI, Hell\u00e9n H, Henne S, Herrmann H, Holubov\u00e1 \u0160mejkalov\u00e1 A, H\u00f5rrak U, H\u00fcglin C, Junninen H, Kristensson A, Langrene L, Levula J, Lothon M, Ludewig E, Makkonen U, Matejovi\u010dov\u00e1 J, Mihalopoulos N, Min\u00e1rikov\u00e1 V, Moche W, Noe SM, P\u00e9rez N, Pet\u00e4j\u00e4 T, Pont V, Poulain L, Quivet E, Ratz G, Rehm T, Reimann S, Simmons I, Sonke JE, Sorribas M, Spoor R, Swart DPJ, Vasilatou V, Wortham H, Yela M, Zarmpas P, Zellweger F\u00e4si C, T\u00f8rseth K, Laj P, Kl\u00e1nov\u00e1 J, Lammel G (2024) Widespread Pesticide Distribution in the European Atmosphere Questions their Degradability in Air. Environ Sci Technol. https:\/\/doi.org\/10.1021\/acs.est.3c08488","journal-title":"Environ Sci Technol"},{"key":"34453_CR32","doi-asserted-by":"publisher","first-page":"664","DOI":"10.1002\/etc.5620180412","volume":"18","author":"WM Meylan","year":"1999","unstructured":"Meylan WM, Howard PH, Boethling RS, Aronson D, Printup H, Gouchie S (1999) Improved method for estimating bioconcentration\/bioaccumulation factor from octanol\/water partition coefficient. Environ Toxicol Chem 18:664\u2013672. https:\/\/doi.org\/10.1002\/etc.5620180412","journal-title":"Environ Toxicol Chem"},{"key":"34453_CR33","unstructured":"Miyoshi A (2022) GPOP Software, Rev. 2022.01. 20m1"},{"key":"34453_CR34","doi-asserted-by":"publisher","first-page":"73","DOI":"10.1016\/j.aquatox.2007.02.001","volume":"82","author":"S Mohr","year":"2007","unstructured":"Mohr S, Berghahn R, Feibicke M, Meinecke S, Ottenstroer T, Schmiedling I, Schmiediche R, Schmidt R (2007) Effects of the herbicide metazachlor on macrophytes and ecosystem function in freshwater pond and stream mesocosms. Aquat Toxicol 82:73\u201384. https:\/\/doi.org\/10.1016\/j.aquatox.2007.02.001","journal-title":"Aquat Toxicol"},{"key":"34453_CR35","doi-asserted-by":"publisher","first-page":"530","DOI":"10.1016\/j.envpol.2007.07.010","volume":"152","author":"S Mohr","year":"2008","unstructured":"Mohr S, Feibicke M, Berghahn R, Schmiediche R, Schmidt R (2008) Response of plankton communities in freshwater pond and stream mesocosms to the herbicide metazachlor. Environ Pollut 152:530\u2013542. https:\/\/doi.org\/10.1016\/j.envpol.2007.07.010","journal-title":"Environ Pollut"},{"key":"34453_CR36","doi-asserted-by":"publisher","first-page":"109941","DOI":"10.1016\/j.jece.2023.109941","volume":"11","author":"TC Ngo","year":"2023","unstructured":"Ngo TC, Taamalli S, Srour Z, F\u00e8vre-Nollet V, El Bakali A, Louis F, \u010cernu\u015b\u00e1k I, Dao DQ (2023) Theoretical insights into the oxidation of quinmerac herbicide initiated by HO\u2022 radical in aqueous media: Mechanism, kinetics, and ecotoxicity. J Environ Chem Eng 11:109941. https:\/\/doi.org\/10.1016\/j.jece.2023.109941","journal-title":"J Environ Chem Eng"},{"key":"34453_CR37","doi-asserted-by":"publisher","first-page":"148","DOI":"10.3389\/fpubh.2016.00148","volume":"4","author":"P Nicolopoulou-Stamati","year":"2016","unstructured":"Nicolopoulou-Stamati P, Maipas S, Kotampasi C, Stamatis P, Hens L (2016) Chemical pesticides and human health: the urgent need for a new concept in agriculture. Front Public Health 4:148","journal-title":"Front Public Health"},{"key":"34453_CR38","doi-asserted-by":"publisher","first-page":"542","DOI":"10.1002\/poc.3447","volume":"28","author":"AM Priya","year":"2015","unstructured":"Priya AM, Senthilkumar L (2015) Reaction of OH radical and ozone with methyl salicylate \u2013 A DFT study. J Phys Org Chem 28:542\u2013553. https:\/\/doi.org\/10.1002\/poc.3447","journal-title":"J Phys Org Chem"},{"key":"34453_CR39","doi-asserted-by":"publisher","first-page":"125","DOI":"10.1007\/s12088-019-00841-x","volume":"60","author":"KS Rajmohan","year":"2020","unstructured":"Rajmohan KS, Chandrasekaran R, Varjani S (2020) A Review on occurrence of pesticides in environment and current technologies for their remediation and management. Indian J Microbiol 60:125\u2013138. https:\/\/doi.org\/10.1007\/s12088-019-00841-x","journal-title":"Indian J Microbiol"},{"key":"34453_CR40","doi-asserted-by":"publisher","first-page":"124657","DOI":"10.1016\/j.jclepro.2020.124657","volume":"283","author":"L Rani","year":"2021","unstructured":"Rani L, Thapa K, Kanojia N, Sharma N, Singh S, Grewal AS, Srivastav AL, Kaushal J (2021) An extensive review on the consequences of chemical pesticides on human health and environment. J Clean Prod 283:124657. https:\/\/doi.org\/10.1016\/j.jclepro.2020.124657","journal-title":"J Clean Prod"},{"key":"34453_CR41","doi-asserted-by":"publisher","first-page":"149","DOI":"10.1017\/S0043174500057118","volume":"40","author":"J Rouchaud","year":"1992","unstructured":"Rouchaud J, Metsue M, Himme MV, Bulcke R, Gillet J, Vanparys L (1992) Soil Degradation of Metazachlor in agronomic and vegetable crop fields. Weed Sci 40:149\u2013154. https:\/\/doi.org\/10.1017\/S0043174500057118","journal-title":"Weed Sci"},{"key":"34453_CR42","doi-asserted-by":"publisher","first-page":"245","DOI":"10.3109\/1040841X.2014.929564","volume":"42","author":"B Singh","year":"2016","unstructured":"Singh B, Singh K (2016) Microbial degradation of herbicides. Crit Rev Microbiol 42:245\u2013261. https:\/\/doi.org\/10.3109\/1040841X.2014.929564","journal-title":"Crit Rev Microbiol"},{"key":"34453_CR43","doi-asserted-by":"publisher","first-page":"6812","DOI":"10.1021\/ja00438a006","volume":"98","author":"DL Singleton","year":"1976","unstructured":"Singleton DL, Cvetanovic RJ (1976) Temperature dependence of the reaction of oxygen atoms with olefins. J Am Chem Soc 98:6812\u20136819. https:\/\/doi.org\/10.1021\/ja00438a006","journal-title":"J Am Chem Soc"},{"key":"34453_CR44","doi-asserted-by":"publisher","first-page":"456","DOI":"10.1016\/j.cej.2018.10.074","volume":"358","author":"J Sun","year":"2019","unstructured":"Sun J, Wei B, Mei Q, An Z, Wang X, He M (2019) Ozonation of 3-methylcatechol and 4-methylcatechol in the atmosphere and aqueous particles: Mechanism, kinetics and ecotoxicity assessment. Chem Eng J 358:456\u2013466. https:\/\/doi.org\/10.1016\/j.cej.2018.10.074","journal-title":"Chem Eng J"},{"key":"34453_CR45","doi-asserted-by":"publisher","first-page":"126744","DOI":"10.1016\/j.chemosphere.2020.126744","volume":"253","author":"Y Sun","year":"2020","unstructured":"Sun Y, Chen X, Xu F, Wang X (2020) Quantum chemical calculations on the mechanism and kinetics of ozone-initiated removal of p-coumaryl alcohol in the atmosphere. Chemosphere 253:126744. https:\/\/doi.org\/10.1016\/j.chemosphere.2020.126744","journal-title":"Chemosphere"},{"key":"34453_CR46","doi-asserted-by":"publisher","first-page":"145203","DOI":"10.1016\/j.scitotenv.2021.145203","volume":"770","author":"Y Sun","year":"2021","unstructured":"Sun Y, Chen X, Liu L, Xu F, Zhang X (2021) Mechanisms and kinetics studies of the atmospheric oxidation of eugenol by hydroxyl radicals and ozone molecules. Sci Total Environ 770:145203. https:\/\/doi.org\/10.1016\/j.scitotenv.2021.145203","journal-title":"Sci Total Environ"},{"key":"34453_CR47","doi-asserted-by":"publisher","first-page":"109167","DOI":"10.1016\/j.jece.2022.109167","volume":"11","author":"Y Sun","year":"2022","unstructured":"Sun Y, Li M, Hadizadeh MH, Xu F (2022) OH\/O3-initiated transformation of primidone in AOPs based on the theoretical calculations: mechanisms, kinetics, and eco-toxicity assessments. J Environ Chem Eng 11:109167","journal-title":"J Environ Chem Eng"},{"key":"34453_CR48","doi-asserted-by":"publisher","first-page":"976","DOI":"10.1039\/C9EW01078E","volume":"6","author":"A Tekle-R\u00f6ttering","year":"2020","unstructured":"Tekle-R\u00f6ttering A, Lim S, Reisz E, Lutze HV, Sajjad Abdighahroudi M, Willach S, Schmidt W, Tentscher PR, Rentsch D, McArdell CS, Schmidt TC, von Gunten U (2020) Reactions of pyrrole, imidazole, and pyrazole with ozone: kinetics and mechanisms. Environ Sci Water Res Technol 6:976\u2013992. https:\/\/doi.org\/10.1039\/C9EW01078E","journal-title":"Environ Sci Water Res Technol"},{"key":"34453_CR49","unstructured":"Turner AJ (2021) The Pesticide Manual 19th Edition, BCPC."},{"key":"34453_CR50","doi-asserted-by":"publisher","first-page":"26","DOI":"10.1016\/j.scitotenv.2017.11.032","volume":"618","author":"U Ulrich","year":"2018","unstructured":"Ulrich U, H\u00f6rmann G, Unger M, Pfannerstill M, Steinmann F, Fohrer N (2018) Lentic small water bodies: Variability of pesticide transport and transformation patterns. Sci Total Environ 618:26\u201338. https:\/\/doi.org\/10.1016\/j.scitotenv.2017.11.032","journal-title":"Sci Total Environ"},{"key":"34453_CR51","unstructured":"US EPA (1998) Proposed category for persistent, bioaccumulative, and toxic chemicals 63:53417\u201353423"},{"key":"34453_CR52","unstructured":"US EPA (2015a) EPI SuiteTM-estimation program interface. Website: https:\/\/www.epa.gov\/tsca-screening-tools\/epi-suitetm-estimation-program-interface. Accessed 10 Jul 2024"},{"key":"34453_CR53","unstructured":"US EPA (2015b) Toxicity Estimation Software Tool (TEST). Website: https:\/\/www.epa.gov\/comptox-tools\/toxicity-estimation-software-tool-test.\u00a0Accessed 10 Jul 2024"},{"key":"34453_CR54","unstructured":"US EPA (2017) Ecological structure activity relationships (ECOSAR) predictive model. Website: https:\/\/www.epa.gov\/tsca-screening-tools\/ecological-structure-activity-relationships-ecosar-predictive-model.\u00a0Accessed 10 Jul 2024"},{"key":"34453_CR55","doi-asserted-by":"publisher","first-page":"81","DOI":"10.1016\/S0167-8809(96)01096-1","volume":"60","author":"HMG van der Werf","year":"1996","unstructured":"van der Werf HMG (1996) Assessing the impact of pesticides on the environment. Agric Ecosyst Environ 60:81\u201396. https:\/\/doi.org\/10.1016\/S0167-8809(96)01096-1","journal-title":"Agric Ecosyst Environ"},{"key":"34453_CR56","doi-asserted-by":"publisher","first-page":"875","DOI":"10.1038\/s41598-020-57740-1","volume":"10","author":"J Velisek","year":"2020","unstructured":"Velisek J, Stara A, Kubec J, Zuskova E, Buric M, Kouba A (2020) Effects of metazachlor and its major metabolite metazachlor OA on early life stages of marbled crayfish. Sci Rep 10:875. https:\/\/doi.org\/10.1038\/s41598-020-57740-1","journal-title":"Sci Rep"},{"key":"34453_CR57","doi-asserted-by":"publisher","first-page":"759","DOI":"10.1103\/PhysRevA.35.759","volume":"35","author":"LJ Wang","year":"1987","unstructured":"Wang LJ, Woo SB, Helmy EM (1987) Laser photodetachment of O3-. Phys Rev A 35:759\u2013763. https:\/\/doi.org\/10.1103\/PhysRevA.35.759","journal-title":"Phys Rev A"},{"key":"34453_CR58","doi-asserted-by":"publisher","first-page":"638","DOI":"10.1016\/j.scitotenv.2017.11.155","volume":"619\u2013620","author":"G Weber","year":"2018","unstructured":"Weber G, Christmann N, Thiery A-C, Martens D, Kubiniok J (2018) Pesticides in agricultural headwater streams in southwestern Germany and effects on macroinvertebrate populations. Sci Total Environ 619\u2013620:638\u2013648. https:\/\/doi.org\/10.1016\/j.scitotenv.2017.11.155","journal-title":"Sci Total Environ"},{"key":"34453_CR59","doi-asserted-by":"publisher","first-page":"113036","DOI":"10.1016\/j.ecoenv.2021.113036","volume":"228","author":"L Wijewardene","year":"2021","unstructured":"Wijewardene L, Wu N, H\u00f6rmann G, Messyasz B, Riis T, H\u00f6lzel C, Ulrich U, Fohrer N (2021) Effects of the herbicides metazachlor and flufenacet on phytoplankton communities\u2014A microcosm assay. Ecotoxicol Environ Saf 228:113036. https:\/\/doi.org\/10.1016\/j.ecoenv.2021.113036","journal-title":"Ecotoxicol Environ Saf"},{"key":"34453_CR60","doi-asserted-by":"publisher","first-page":"131004","DOI":"10.1016\/j.chemosphere.2021.131004","volume":"282","author":"X Wu","year":"2021","unstructured":"Wu X, Hou Q, Huang J, Chai J, Zhang F (2021) Exploring the OH-initiated reactions of styrene in the atmosphere and the role of van der Waals complex. Chemosphere 282:131004. https:\/\/doi.org\/10.1016\/j.chemosphere.2021.131004","journal-title":"Chemosphere"},{"key":"34453_CR61","doi-asserted-by":"publisher","first-page":"126930","DOI":"10.1016\/j.jhazmat.2021.126930","volume":"422","author":"J Yao","year":"2022","unstructured":"Yao J, Tang Y, Zhang Y, Ruan M, Wu W, Sun J (2022) New theoretical investigation of mechanism, kinetics, and toxicity in the degradation of dimetridazole and ornidazole by hydroxyl radicals in aqueous phase. J Hazard Mater 422:126930. https:\/\/doi.org\/10.1016\/j.jhazmat.2021.126930","journal-title":"J Hazard Mater"},{"key":"34453_CR62","doi-asserted-by":"publisher","first-page":"50","DOI":"10.1016\/j.chemphys.2018.06.019","volume":"513","author":"Y Zhang","year":"2018","unstructured":"Zhang Y, Song R, Sun Y, Sun J, Tang Y, Wang R (2018) Mechanistic and kinetic study on the reaction of Pyrrole (C4H5N) with O(3P). Chem Phys 513:50\u201357. https:\/\/doi.org\/10.1016\/j.chemphys.2018.06.019","journal-title":"Chem Phys"},{"key":"34453_CR63","doi-asserted-by":"publisher","first-page":"215","DOI":"10.1007\/s00214-007-0310-x","volume":"120","author":"Y Zhao","year":"2008","unstructured":"Zhao Y, Truhlar DG (2008) The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals. Theor Chem Acc 120:215\u2013241. https:\/\/doi.org\/10.1007\/s00214-007-0310-x","journal-title":"Theor Chem Acc"}],"container-title":["Environmental Science and Pollution Research"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11356-024-34453-w.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s11356-024-34453-w\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11356-024-34453-w.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,8,8]],"date-time":"2024-08-08T07:28:07Z","timestamp":1723102087000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s11356-024-34453-w"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,7,29]]},"references-count":63,"journal-issue":{"issue":"36","published-online":{"date-parts":[[2024,8]]}},"alternative-id":["34453"],"URL":"https:\/\/doi.org\/10.1007\/s11356-024-34453-w","relation":{},"ISSN":["1614-7499"],"issn-type":[{"type":"electronic","value":"1614-7499"}],"subject":[],"published":{"date-parts":[[2024,7,29]]},"assertion":[{"value":"29 April 2024","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"18 July 2024","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"29 July 2024","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"Not applicable.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Ethics approval"}},{"value":"Informed consent was obtained from all individual participants included in the study.","order":3,"name":"Ethics","group":{"name":"EthicsHeading","label":"Consent to participate"}},{"value":"Written informed consent for publication of this paper was obtained from all authors.","order":4,"name":"Ethics","group":{"name":"EthicsHeading","label":"Consent for publication"}},{"value":"The authors declare no competing interests.","order":5,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}}]}}