{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,25]],"date-time":"2026-07-25T03:09:04Z","timestamp":1784948944461,"version":"3.55.0"},"reference-count":74,"publisher":"MDPI AG","issue":"19","license":[{"start":{"date-parts":[[2024,9,24]],"date-time":"2024-09-24T00:00:00Z","timestamp":1727136000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["41703110"],"award-info":[{"award-number":["41703110"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["LJKMZ20220440"],"award-info":[{"award-number":["LJKMZ20220440"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["ES202309"],"award-info":[{"award-number":["ES202309"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["LJKLJ202403"],"award-info":[{"award-number":["LJKLJ202403"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Basic Scientific Research Projects of Liaoning Province Education Department","award":["41703110"],"award-info":[{"award-number":["41703110"]}]},{"name":"Basic Scientific Research Projects of Liaoning Province Education Department","award":["LJKMZ20220440"],"award-info":[{"award-number":["LJKMZ20220440"]}]},{"name":"Basic Scientific Research Projects of Liaoning Province Education Department","award":["ES202309"],"award-info":[{"award-number":["ES202309"]}]},{"name":"Basic Scientific Research Projects of Liaoning Province Education Department","award":["LJKLJ202403"],"award-info":[{"award-number":["LJKLJ202403"]}]},{"name":"Open Project of State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology","award":["41703110"],"award-info":[{"award-number":["41703110"]}]},{"name":"Open Project of State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology","award":["LJKMZ20220440"],"award-info":[{"award-number":["LJKMZ20220440"]}]},{"name":"Open Project of State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology","award":["ES202309"],"award-info":[{"award-number":["ES202309"]}]},{"name":"Open Project of State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology","award":["LJKLJ202403"],"award-info":[{"award-number":["LJKLJ202403"]}]},{"name":"Fundamental Research Funds for Public Universities in Liaoning","award":["41703110"],"award-info":[{"award-number":["41703110"]}]},{"name":"Fundamental Research Funds for Public Universities in Liaoning","award":["LJKMZ20220440"],"award-info":[{"award-number":["LJKMZ20220440"]}]},{"name":"Fundamental Research Funds for Public Universities in Liaoning","award":["ES202309"],"award-info":[{"award-number":["ES202309"]}]},{"name":"Fundamental Research Funds for Public Universities in Liaoning","award":["LJKLJ202403"],"award-info":[{"award-number":["LJKLJ202403"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Polychlorinated naphthalenes (PCNs) are a new type of persistent organic pollutant (POP) characterized by persistence, bioaccumulation, dioxin-like toxicity, and long-range atmospheric transport. Focusing on one type of PCN, monochlorinated naphthalenes (CN-1, CN-2), this study aimed to examine their photodegradation in the environment. In this work, CN-1 and CN-2 were employed as the model pollutants to investigate their photodegradation process under UV-C irradiation. Factors like the pH, initial concentrations of CN-1, and inorganic anions were investigated. Next, the roles of hydroxyl radicals (\u2022OH), superoxide anion radicals (O2\u2022\u2212), and singlet oxygen (1O2) in the photodegradation process were discussed and proposed via theory computation. The results show that the photodegradation of CN-1 and CN-2 follows pseudo-first-order kinetics. Acidic conditions promote the photodegradation of CN-1, while the effects of pH on the photodegradation of CN-2 are not remarkable. Cl\u2212, NO3\u2212, and SO32\u2212 accelerate the photodegradation of CN-1, whereas the effect of SO42\u2212 and CO32\u2212 is not significant. Additionally, the contributions of \u2022OH and O2\u2022\u2212 to the photodegradation of CN-1 are 20.47% and 38.80%, while, for CN-2, the contribution is 16.40% and 16.80%, respectively. Moreover, the contribution of 1O2 is 15.7%. Based on DFT calculations, C4 and C6 of the CN-1 benzene ring are prioritized attack sites for \u2022OH, while C2 and C9 of CN-2 are prioritized attack sites.<\/jats:p>","DOI":"10.3390\/molecules29194535","type":"journal-article","created":{"date-parts":[[2024,9,24]],"date-time":"2024-09-24T10:41:47Z","timestamp":1727174507000},"page":"4535","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Unveiling the Photodegradation Mechanism of Monochlorinated Naphthalenes under UV-C Irradiation: Affecting Factors Analysis, the Roles of Hydroxyl Radicals, and DFT Calculation"],"prefix":"10.3390","volume":"29","author":[{"given":"Yingtan","family":"Yu","sequence":"first","affiliation":[{"name":"School of Environment, Liaoning University, Shenyang 110036, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mengdi","family":"Liu","sequence":"additional","affiliation":[{"name":"School of Environment, Liaoning University, Shenyang 110036, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shimeng","family":"Wang","sequence":"additional","affiliation":[{"name":"School of Environment, Liaoning University, Shenyang 110036, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chaoxing","family":"Zhang","sequence":"additional","affiliation":[{"name":"School of Environment, Liaoning University, Shenyang 110036, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xue","family":"Zhang","sequence":"additional","affiliation":[{"name":"School of Environment, Liaoning University, Shenyang 110036, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li","family":"Liu","sequence":"additional","affiliation":[{"name":"School of Environment, Liaoning University, Shenyang 110036, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shuang","family":"Xue","sequence":"additional","affiliation":[{"name":"School of Environment, Liaoning University, Shenyang 110036, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,9,24]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"2134","DOI":"10.1016\/j.chemosphere.2015.10.017","article-title":"Seasonal and Spatial Distributions of Atmospheric Polychlorinated Naphthalenes in Shanghai, China","volume":"144","author":"Die","year":"2016","journal-title":"Chemosphere"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"14802","DOI":"10.1007\/s11356-017-8967-8","article-title":"Assessment of Long-Range Transport Potential of Polychlorinated Naphthalenes Based on Three-Dimensional QSAR Models","volume":"24","author":"Wang","year":"2017","journal-title":"Environ. 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