{"id":"https://openalex.org/W7224165016","doi":"https://doi.org/10.1021/acs.est.6c07214","title":"Unregulated Disinfection Byproducts from de facto Water Reuse: Molecular Evidence for EfOM-Induced Redirection of Chlorination Pathways","display_name":"Unregulated Disinfection Byproducts from de facto Water Reuse: Molecular Evidence for EfOM-Induced Redirection of Chlorination Pathways","publication_year":2026,"publication_date":"2026-10-29","ids":{"openalex":"https://openalex.org/W7224165016","doi":"https://doi.org/10.1021/acs.est.6c07214"},"language":"en","primary_location":{"id":"doi:10.1021/acs.est.6c07214","doi":"https://doi.org/10.1021/acs.est.6c07214","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.est.6c07214","pdf_url":null,"source":{"id":"https://openalex.org/S13479253","display_name":"Environmental Science & Technology","issn_l":"0013-936X","issn":["0013-936X","1520-5851"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-a","fnege-4","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Environmental Science & Technology","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100660488","display_name":"Mengjie Liu","orcid":"https://orcid.org/0000-0002-3310-9403","observed_orcids":["https://orcid.org/0000-0002-3310-9403"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210144289","display_name":"Research Center for Eco-Environmental Sciences","ror":"https://ror.org/03rpsvy57","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210144289"]},{"id":"https://openalex.org/I47720641","display_name":"Huazhong University of Science and Technology","ror":"https://ror.org/00p991c53","country_code":"CN","type":"education","lineage":["https://openalex.org/I47720641"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Mengjie Liu","raw_affiliation_strings":["Huazhong University of Science and Technology , , ,","Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Huazhong University of Science and Technology , , ,","institution_ids":["https://openalex.org/I47720641"]},{"raw_affiliation_string":"Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences , , ,","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210144289"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5120971382","display_name":"Baofeng Zhu","orcid":"https://orcid.org/0009-0006-2802-0064","observed_orcids":["https://orcid.org/0009-0006-2802-0064"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210144289","display_name":"Research Center for Eco-Environmental Sciences","ror":"https://ror.org/03rpsvy57","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210144289"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Baofeng Zhu","raw_affiliation_strings":["Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences , , ,","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210144289"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111773712","display_name":"Nigel J. D. Graham","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I47508984","display_name":"Imperial College London","ror":"https://ror.org/041kmwe10","country_code":"GB","type":"education","lineage":["https://openalex.org/I47508984"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Nigel J. D. Graham","raw_affiliation_strings":["Imperial College London , , South Kensington Campus , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Imperial College London , , South Kensington Campus , ,","institution_ids":["https://openalex.org/I47508984"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045123804","display_name":"William A. Mitch","orcid":"https://orcid.org/0000-0002-4917-0938","observed_orcids":["https://orcid.org/0000-0002-4917-0938"]},"institutions":[{"id":"https://openalex.org/I97018004","display_name":"Stanford University","ror":"https://ror.org/00f54p054","country_code":"US","type":"education","lineage":["https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"William A. Mitch","raw_affiliation_strings":["Stanford University , , 473 via Ortega , , ,"],"raw_orcid":"https://orcid.org/0000-0002-4917-0938","affiliations":[{"raw_affiliation_string":"Stanford University , , 473 via Ortega , , ,","institution_ids":["https://openalex.org/I97018004"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5005737144","display_name":"Wenzheng Yu","orcid":"https://orcid.org/0000-0001-9776-8021","observed_orcids":["https://orcid.org/0000-0001-9776-8021"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210144289","display_name":"Research Center for Eco-Environmental Sciences","ror":"https://ror.org/03rpsvy57","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210144289"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Wenzheng Yu","raw_affiliation_strings":["Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences , , ,"],"raw_orcid":"https://orcid.org/0000-0001-9776-8021","affiliations":[{"raw_affiliation_string":"Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences , , ,","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210144289"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5005737144"],"corresponding_institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210144289"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.78114899,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11493","display_name":"Water Treatment and Disinfection","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/2307","display_name":"Health, Toxicology and Mutagenesis"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11493","display_name":"Water Treatment and Disinfection","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/2307","display_name":"Health, Toxicology and Mutagenesis"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10210","display_name":"Advanced oxidation water treatment","score":0.0005000000237487257,"subfield":{"id":"https://openalex.org/subfields/2312","display_name":"Water Science and Technology"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11781","display_name":"Wastewater Treatment and Reuse","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/2311","display_name":"Waste Management and Disposal"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/disinfection-by-products","display_name":"disinfection by-products","score":0.8930000066757202},{"id":"https://openalex.org/keywords/potable-reuse","display_name":"potable reuse","score":0.7960000038146973},{"id":"https://openalex.org/keywords/halogenation","display_name":"halogenation","score":0.5360000133514404},{"id":"https://openalex.org/keywords/reaction-network-analysis","display_name":"reaction network analysis","score":0.734000027179718},{"id":"https://openalex.org/keywords/drinking-water-disinfection","display_name":"drinking water disinfection","score":0.6489999890327454}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6230000257492065},{"id":"https://openalex.org/C505241676","wikidata":"https://www.wikidata.org/wiki/Q688","display_name":"Chlorine","level":2,"score":0.5820000171661377},{"id":"https://openalex.org/C107872376","wikidata":"https://www.wikidata.org/wiki/Q321355","display_name":"Environmental chemistry","level":1,"score":0.5608000159263611},{"id":"https://openalex.org/C65973085","wikidata":"https://www.wikidata.org/wiki/Q888529","display_name":"Halogenation","level":2,"score":0.47749999165534973},{"id":"https://openalex.org/C2992317946","wikidata":"https://www.wikidata.org/wiki/Q712144","display_name":"De facto","level":2,"score":0.44369998574256897},{"id":"https://openalex.org/C206588197","wikidata":"https://www.wikidata.org/wiki/Q846574","display_name":"Reuse","level":2,"score":0.4424999952316284},{"id":"https://openalex.org/C190960625","wikidata":"https://www.wikidata.org/wiki/Q1058719","display_name":"Water treatment","level":2,"score":0.4142000079154968},{"id":"https://openalex.org/C3018613153","wikidata":"https://www.wikidata.org/wiki/Q7892","display_name":"Potable water","level":2,"score":0.3982999920845032},{"id":"https://openalex.org/C2985358483","wikidata":"https://www.wikidata.org/wiki/Q174211","display_name":"Organic chemicals","level":2,"score":0.34929999709129333},{"id":"https://openalex.org/C92376884","wikidata":"https://www.wikidata.org/wiki/Q1162199","display_name":"Portable water purification","level":2,"score":0.34220001101493835},{"id":"https://openalex.org/C39432304","wikidata":"https://www.wikidata.org/wiki/Q188847","display_name":"Environmental science","level":0,"score":0.34200000762939453},{"id":"https://openalex.org/C191015642","wikidata":"https://www.wikidata.org/wiki/Q1132459","display_name":"Fragmentation (computing)","level":2,"score":0.3382999897003174},{"id":"https://openalex.org/C3020418061","wikidata":"https://www.wikidata.org/wiki/Q1463025","display_name":"Water disinfection","level":2,"score":0.3203999996185303},{"id":"https://openalex.org/C548081761","wikidata":"https://www.wikidata.org/wiki/Q180388","display_name":"Waste management","level":1,"score":0.30979999899864197},{"id":"https://openalex.org/C48743137","wikidata":"https://www.wikidata.org/wiki/Q1783121","display_name":"Organic matter","level":2,"score":0.28220000863075256},{"id":"https://openalex.org/C112570922","wikidata":"https://www.wikidata.org/wiki/Q60528603","display_name":"Contamination","level":2,"score":0.27140000462532043},{"id":"https://openalex.org/C2992443382","wikidata":"https://www.wikidata.org/wiki/Q1783121","display_name":"Natural organic matter","level":3,"score":0.26100000739097595},{"id":"https://openalex.org/C87717796","wikidata":"https://www.wikidata.org/wiki/Q146326","display_name":"Environmental engineering","level":1,"score":0.2556000053882599}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/acs.est.6c07214","doi":"https://doi.org/10.1021/acs.est.6c07214","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.est.6c07214","pdf_url":null,"source":{"id":"https://openalex.org/S13479253","display_name":"Environmental Science & Technology","issn_l":"0013-936X","issn":["0013-936X","1520-5851"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","dongbi-a","fnege-4","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Environmental Science & Technology","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Clean water and sanitation","score":0.965499997138977,"id":"https://metadata.un.org/sdg/6"},{"display_name":"Responsible consumption and production","score":0.6000000238418579,"id":"https://metadata.un.org/sdg/12"},{"display_name":"Good health and well-being","score":0.46810001134872437,"id":"https://metadata.un.org/sdg/3"}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321133","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35"},{"id":"https://openalex.org/F4320321543","display_name":"China Postdoctoral Science Foundation","ror":"https://ror.org/0426zh255"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":30,"referenced_works":["https://openalex.org/W602584655","https://openalex.org/W2006253121","https://openalex.org/W2013554270","https://openalex.org/W2036535031","https://openalex.org/W2037766564","https://openalex.org/W2042052842","https://openalex.org/W2064075882","https://openalex.org/W2076514280","https://openalex.org/W2079295664","https://openalex.org/W2089100212","https://openalex.org/W2092737177","https://openalex.org/W2323147369","https://openalex.org/W2417081123","https://openalex.org/W2609555750","https://openalex.org/W2614601878","https://openalex.org/W2799980520","https://openalex.org/W2942733422","https://openalex.org/W3093715371","https://openalex.org/W3105601944","https://openalex.org/W3204074964","https://openalex.org/W4200060688","https://openalex.org/W4376866914","https://openalex.org/W4391536494","https://openalex.org/W4392705846","https://openalex.org/W4402217044","https://openalex.org/W4413347151","https://openalex.org/W4414305770","https://openalex.org/W4415127040","https://openalex.org/W7139064645","https://openalex.org/W7167887951"],"related_works":["https://openalex.org/W7125709226","https://openalex.org/W2018747868","https://openalex.org/W3205781637","https://openalex.org/W4387869426","https://openalex.org/W4310249361","https://openalex.org/W2926592144","https://openalex.org/W4389042471","https://openalex.org/W3093460088","https://openalex.org/W3189724026","https://openalex.org/W7131840076"],"abstract_inverted_index":{"Abstract":[0],"Unplanned":[1],"potable":[2],"reuse":[3,168],"introduces":[4,97],"effluent-derived":[5],"organic":[6],"matter":[7],"(EfOM)":[8],"into":[9],"drinking":[10],"water":[11,119],"sources.":[12],"While":[13],"conventional":[14],"coagulation":[15],"partially":[16],"removes":[17],"EfOM,":[18],"the":[19,36,72],"residual":[20],"fraction":[21],"undergoes":[22],"chlorination":[23],"and":[24,82,133,162],"may":[25],"form":[26],"toxic":[27],"disinfection":[28],"byproducts":[29,164],"(DBPs)":[30],"that":[31,61,102],"escape":[32],"current":[33],"monitoring.":[34],"However,":[35],"molecular":[37,141],"mechanisms":[38],"by":[39],"which":[40],"EfOM":[41,62,76,96],"alters":[42],"DBP":[43,155],"formation":[44],"pathways":[45,80],"remain":[46],"poorly":[47],"understood.":[48],"Here,":[49],"we":[50],"combine":[51],"ultrahigh-resolution":[52],"mass":[53],"spectrometry":[54],"with":[55,125],"reaction":[56],"network":[57],"analysis":[58],"to":[59,68,86,112,131,144,153,158],"reveal":[60],"significantly":[63],"redirects":[64],"chlorine":[65],"pathways.":[66],"Compared":[67],"EfOM-free":[69],"surface":[70],"water,":[71],"presence":[73],"of":[74,88],"20%":[75],"decreases":[77],"direct":[78],"halogenation":[79],"(addition":[81],"substitution)":[83],"from":[84,129],"4.2%":[85],"1.8%":[87],"total":[89],"transformation":[90],"events.":[91],"This":[92],"shift":[93],"occurs":[94],"because":[95],"reduced,":[98],"high-molecular-weight,":[99],"heteroatom-rich":[100],"molecules":[101],"cannot":[103],"be":[104],"directly":[105],"halogenated;":[106],"they":[107],"require":[108],"HOCl-driven":[109],"oxidative":[110],"fragmentation":[111],"generate":[113],"halogenation-susceptible":[114],"intermediates.":[115],"Consequently,":[116],"chlorinated":[117],"finished":[118],"accumulates":[120],"sulfur-containing":[121,161],"DBPs":[122,136],"(CHOS":[123],"compounds,":[124],"relative":[126],"intensity":[127],"increasing":[128],"35%":[130],"60%)":[132],"complex":[134],"\u201corphan\u201d":[135],"lacking":[137],"identifiable":[138],"precursors":[139],"(with":[140],"features":[142],"linked":[143],"elevated":[145],"toxicity).":[146],"These":[147],"findings":[148],"highlight":[149],"an":[150],"urgent":[151],"need":[152],"update":[154],"monitoring":[156],"frameworks":[157],"include":[159],"unregulated":[160],"orphan":[163],"in":[165],"de":[166],"facto":[167],"scenarios.":[169]},"counts_by_year":[],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2026-10-30T00:00:00"}