The current study focuses on the synthesis and characterization of novel fluorinated chromane derivatives, aiming to explore their structural and biological potential. The molecular framework integrates fluorine for enhanced physicochemical properties, employing nucleophilic substitution and cyclization strategies. The synthesized derivatives (4a–4j) were characterized using advanced spectroscopic methods (1H NMR, 19F NMR, 13C NMR, and mass spectrometry) and crystallographic analysis, confirming their structural core. Biological evaluations against MCF-7 breast cancer cells revealed significant cytotoxicity, with compounds 4 g and 4f demonstrating superior activity (IC50: 2.73 µM and 3.81 µM, respectively) compared to the standard sunitinib (IC50: 5.00 µM). SAR analysis highlights the role of specific cycloaliphatic and polar substituents in enhancing activity. Additionally, docking studies targeting VEGFR2 elucidated key binding interactions, corroborating the compounds' potential as anticancer agents. This work showed the incorporation of fluorine and the rational design of fluorinated scaffolds for drug development.
{"title":"Highly diversified fluorinated chromane-thiadiazol-saturated cyclic amine hybrids: Design, synthesis, single crystal XRD and MCF-7 Cell-line Study","authors":"Bhavika Mohite , Bhadreshkumar K. Chabhadiya , Nishith Teraiya , Khushal Kapadiya , Ramavatar Meena , Aniruddhasinh Rana , Smita Jauhari","doi":"10.1016/j.jfluchem.2025.110448","DOIUrl":"10.1016/j.jfluchem.2025.110448","url":null,"abstract":"<div><div>The current study focuses on the synthesis and characterization of novel fluorinated chromane derivatives, aiming to explore their structural and biological potential. The molecular framework integrates fluorine for enhanced physicochemical properties, employing nucleophilic substitution and cyclization strategies. The synthesized derivatives <strong>(4a–4j)</strong> were characterized using advanced spectroscopic methods (<sup>1</sup>H NMR, <sup>19</sup>F NMR, <sup>13</sup>C NMR, and mass spectrometry) and crystallographic analysis, confirming their structural core. Biological evaluations against MCF-7 breast cancer cells revealed significant cytotoxicity, with compounds <strong>4 g</strong> and <strong>4f</strong> demonstrating superior activity (IC<sub>50</sub>: 2.73 µM and 3.81 µM, respectively) compared to the standard sunitinib (IC<sub>50</sub>: 5.00 µM). SAR analysis highlights the role of specific cycloaliphatic and polar substituents in enhancing activity. Additionally, docking studies targeting VEGFR2 elucidated key binding interactions, corroborating the compounds' potential as anticancer agents. This work showed the incorporation of fluorine and the rational design of fluorinated scaffolds for drug development.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"285 ","pages":"Article 110448"},"PeriodicalIF":1.7,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144366915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-05-27DOI: 10.1016/j.jfluchem.2025.110436
Andrei A. Gakh , Victor V. Semenov
The synthesis of a new class of energetic salts, N-fluorodinitromethyl heterocyclic salts, was accomplished by electrophilic fluorination of corresponding heterocyclic N-dinitromethyl ylides with diluted fluorine. These salts represent rare examples of compounds containing a fluorodinitromethyl moiety directly attached to a positively charged nitrogen atom. Further improvements can be achieved in combination with explosophoric anions, such as the cyanodinitromethanide anion. Despite their unusual structural features, N-fluorodinitromethyl heterocyclic salts have good thermal and chemical stability under ambient conditions.
{"title":"Synthesis and properties of energetic N-fluorodinitromethyl heterocyclic salts","authors":"Andrei A. Gakh , Victor V. Semenov","doi":"10.1016/j.jfluchem.2025.110436","DOIUrl":"10.1016/j.jfluchem.2025.110436","url":null,"abstract":"<div><div>The synthesis of a new class of energetic salts, <em>N</em>-fluorodinitromethyl heterocyclic salts, was accomplished by electrophilic fluorination of corresponding heterocyclic <em>N-</em>dinitromethyl ylides with diluted fluorine. These salts represent rare examples of compounds containing a fluorodinitromethyl moiety directly attached to a positively charged nitrogen atom. Further improvements can be achieved in combination with explosophoric anions, such as the cyanodinitromethanide anion. Despite their unusual structural features, <em>N</em>-fluorodinitromethyl heterocyclic salts have good thermal and chemical stability under ambient conditions.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"285 ","pages":"Article 110436"},"PeriodicalIF":1.7,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144212474","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We investigated two synthetic routes (Route A: first synthesis of the CF2CFO group and then the SO2F group, Route B: first synthesis of the SO2F group and then the CF2CFO group) to synthesize CF2CFO(CF2)4SO2F (SSC monomer), the raw material for the short-side-chain perfluorinated polymer electrolyte membrane, from I(CF2)4I using the same commercially available reagents but in different order of use. In Route A, by-products [CF2CFO(CF2)4I and the compound presumed to have the structure of CF2SO2F] were formed in the second half of the synthesis of SSC monomer, but they were difficult to remove from SSC monomer. On the other hand, in Route B, by-product I(CF2)4I formed in the first half of the synthesis of SSC monomer was easily removed by the conversion with oleum. In addition, the reaction of I(CF2)4I with Na2S2O4 produced I(CF2)4SO2Na and NaO2S(CF2)4SO2Na, which were separated by the extraction operation with ethyl acetate, and NaO2S(CF2)4SO2Na was converted to I(CF2)4I by chlorine gas in the presence of NaI. We chose Route B and obtained high-purity SSC monomer.
{"title":"Synthesis of 1,1,2,2,3,3,4,4-octafluoro-4-[(1,2,2-trifluoroethenyl)oxy]butanesulfonyl fluoride","authors":"Nobuyuki Uematsu , Hideo Saito , Masa-aki Sasayama , Sayuri Aoki , Mikihiko Nakamura , Nobuto Hoshi , Masanori Ikeda","doi":"10.1016/j.jfluchem.2025.110432","DOIUrl":"10.1016/j.jfluchem.2025.110432","url":null,"abstract":"<div><div>We investigated two synthetic routes (Route A: first synthesis of the CF<sub>2</sub><img>CFO group and then the SO<sub>2</sub>F group, Route B: first synthesis of the SO<sub>2</sub>F group and then the CF<sub>2</sub><img>CFO group) to synthesize CF<sub>2</sub><img>CFO(CF<sub>2</sub>)<sub>4</sub>SO<sub>2</sub>F (SSC monomer), the raw material for the short-side-chain perfluorinated polymer electrolyte membrane, from I(CF<sub>2</sub>)<sub>4</sub>I using the same commercially available reagents but in different order of use. In Route A, by-products [CF<sub>2</sub><img>CFO(CF<sub>2</sub>)<sub>4</sub>I and the compound presumed to have the structure of CF<sub>2</sub>SO<sub>2</sub>F] were formed in the second half of the synthesis of SSC monomer, but they were difficult to remove from SSC monomer. On the other hand, in Route B, by-product I(CF<sub>2</sub>)<sub>4</sub>I formed in the first half of the synthesis of SSC monomer was easily removed by the conversion with oleum. In addition, the reaction of I(CF<sub>2</sub>)<sub>4</sub>I with Na<sub>2</sub>S<sub>2</sub>O<sub>4</sub> produced I(CF<sub>2</sub>)<sub>4</sub>SO<sub>2</sub>Na and NaO<sub>2</sub>S(CF<sub>2</sub>)<sub>4</sub>SO<sub>2</sub>Na, which were separated by the extraction operation with ethyl acetate, and NaO<sub>2</sub>S(CF<sub>2</sub>)<sub>4</sub>SO<sub>2</sub>Na was converted to I(CF<sub>2</sub>)<sub>4</sub>I by chlorine gas in the presence of NaI. We chose Route B and obtained high-purity SSC monomer.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"285 ","pages":"Article 110432"},"PeriodicalIF":1.7,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144205051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-01DOI: 10.1016/j.jfluchem.2025.110430
Larisa Politanskaya , Bulat Khasanov , Irina Bagryanskaya , Maria Niukalova , Sergey Aksakov , Irina Balashova , Vladimir Zarubaev
A series of fluorinated bicyclic fused compounds, containing fragments of pyridine and 3,4-dihydro-2H-1,4-thiazine 1,1-dioxide were synthesized via one-pot substitution of halogen atoms by N-nucleophiles in polyfluorinated precursor. Formation of the heterocyclic moiety was proceed as a two-stage process starting from Br replacement at the side chain followed by intramolecular aminodefluorination. The structures of some of the obtained heterocycles were confirmed using X-ray diffraction analysis. In addition, their inhibitory activity against influenza A/Puerto Rico/8/34 (H1N1) virus in MDCK cell culture was evaluated and compound-leader was found.
{"title":"Efficient synthesis, structure and anti-influenza virus activity of fluorinated pyrido[4,3-b][1,4]thiazine 1,1-dioxide derivatives","authors":"Larisa Politanskaya , Bulat Khasanov , Irina Bagryanskaya , Maria Niukalova , Sergey Aksakov , Irina Balashova , Vladimir Zarubaev","doi":"10.1016/j.jfluchem.2025.110430","DOIUrl":"10.1016/j.jfluchem.2025.110430","url":null,"abstract":"<div><div>A series of fluorinated bicyclic fused compounds, containing fragments of pyridine and 3,4-dihydro-2<em>H</em>-1,4-thiazine 1,1-dioxide were synthesized via one-pot substitution of halogen atoms by N-nucleophiles in polyfluorinated precursor. Formation of the heterocyclic moiety was proceed as a two-stage process starting from Br replacement at the side chain followed by intramolecular aminodefluorination. The structures of some of the obtained heterocycles were confirmed using X-ray diffraction analysis. In addition, their inhibitory activity against influenza A/Puerto Rico/8/34 (H1N1) virus in MDCK cell culture was evaluated and compound-leader was found.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"283 ","pages":"Article 110430"},"PeriodicalIF":1.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-01DOI: 10.1016/j.jfluchem.2025.110427
Jiawen Deng , Lukang Lin , Yahan Zhang , Xu Yao , Jun Zhang , Jin-Hong Lin , Wenbin Yi , Xing Zheng , Ji-Chang Xiao
Two types of 5-trifluoromethyl tetrazole-based energetic salts were successfully synthesized from trifluoroacetamide and sodium azide. The synthetic approach is characterized by its simplicity and safety. The X-ray diffraction analysis reveals the presence of both intermolecular and intramolecular hydrogen bonding within the crystal lattice of energetic salts. The synthesized compound 4 demonstrated notable physical properties, including high densities (1.64 g cm-3), great thermal stability (with decomposition temperatures of 167 °C), and excellent insensitivity (impact sensitivity exceeding 40 J). These attributes suggest that the compound 4 possess promising energetic performance and is potential candidates for use as insensitive high-energy materials.
以三氟乙酰胺和叠氮化钠为原料，成功合成了两种5-三氟甲基四唑类含能盐。该方法具有简单、安全的特点。x射线衍射分析揭示了能盐晶格中存在分子间和分子内氢键。合成的化合物4具有显著的物理性能，包括高密度（1.64 g cm-3）、热稳定性（分解温度为167℃）和优异的不敏感性（冲击灵敏度超过40 J）。这些特性表明该化合物4具有良好的能量性能，是用作不敏感高能材料的潜在候选者。
{"title":"Synthesis and characterization of 5-(trifluoromethyl)tetrazol-based energetic salts","authors":"Jiawen Deng , Lukang Lin , Yahan Zhang , Xu Yao , Jun Zhang , Jin-Hong Lin , Wenbin Yi , Xing Zheng , Ji-Chang Xiao","doi":"10.1016/j.jfluchem.2025.110427","DOIUrl":"10.1016/j.jfluchem.2025.110427","url":null,"abstract":"<div><div>Two types of 5-trifluoromethyl tetrazole-based energetic salts were successfully synthesized from trifluoroacetamide and sodium azide. The synthetic approach is characterized by its simplicity and safety. The X-ray diffraction analysis reveals the presence of both intermolecular and intramolecular hydrogen bonding within the crystal lattice of energetic salts. The synthesized compound <strong>4</strong> demonstrated notable physical properties, including high densities (1.64 g cm<sup>-3</sup>), great thermal stability (with decomposition temperatures of 167 °C), and excellent insensitivity (impact sensitivity exceeding 40 J). These attributes suggest that the compound <strong>4</strong> possess promising energetic performance and is potential candidates for use as insensitive high-energy materials.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"283 ","pages":"Article 110427"},"PeriodicalIF":1.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143912818","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-01DOI: 10.1016/j.jfluchem.2025.110425
Zhou Yu , Sheng Wang , Wenbo Chen , Lele Wen , Long Lu
An efficient method for synthesizing sulfonyl fluorides by fluorinating sulfonyl hydrazides with 10 % F2/N2 was developed. This transformation demonstrated a broad substrate scope, yielding a series of sulfonyl fluorides in moderate to good yields. Additionally, a 10 g scale experiment was conducted, demonstrating the practicality of this method.
{"title":"Fluorination of sulfonyl hydrazides with fluorine gas for the synthesis of sulfonyl fluorides","authors":"Zhou Yu , Sheng Wang , Wenbo Chen , Lele Wen , Long Lu","doi":"10.1016/j.jfluchem.2025.110425","DOIUrl":"10.1016/j.jfluchem.2025.110425","url":null,"abstract":"<div><div>An efficient method for synthesizing sulfonyl fluorides by fluorinating sulfonyl hydrazides with 10 % F<sub>2</sub>/N<sub>2</sub> was developed. This transformation demonstrated a broad substrate scope, yielding a series of sulfonyl fluorides in moderate to good yields. Additionally, a 10 g scale experiment was conducted, demonstrating the practicality of this method.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"283 ","pages":"Article 110425"},"PeriodicalIF":1.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-01DOI: 10.1016/j.jfluchem.2025.110429
Hai-Han Liu, Zhong-Min Su, Hong-Liang Xu
Due to its toxicity and hazard, the experimental observation of the structure and characteristics of hydrogen fluoride (HF) clusters poses significant challenges. In this work, by integrating theoretical analysis with prior experimental findings, we determined that the stable chair-like hexamer structure (HF)6 can be transformed into a planar cyclic anion (HF)6@e upon the addition of a single electron. Excitingly, there is a larger interaction (Eint = -9.92 kcal/mol) between the two (HF)6 layers in [(HF)6]2@e: an innovative one electron sigma bond (σ1e) emerges. Further, the geometry of σ1e can be adjusted by varying the strength of the additional electric field. This study offers new insights into the HF clusters and demands further explorations in this field.
{"title":"One electron into the multilayer cyclic hexamer of hydrogen fluoride","authors":"Hai-Han Liu, Zhong-Min Su, Hong-Liang Xu","doi":"10.1016/j.jfluchem.2025.110429","DOIUrl":"10.1016/j.jfluchem.2025.110429","url":null,"abstract":"<div><div>Due to its toxicity and hazard, the experimental observation of the structure and characteristics of hydrogen fluoride (HF) clusters poses significant challenges. In this work, by integrating theoretical analysis with prior experimental findings, we determined that the stable chair-like hexamer structure (HF)<sub>6</sub> can be transformed into a planar cyclic anion (HF)<sub>6</sub>@e upon the addition of a single electron. Excitingly, there is a larger interaction (<em>E</em><sub>int</sub> = -9.92 kcal/mol) between the two (HF)<sub>6</sub> layers in [(HF)<sub>6</sub>]<sub>2</sub>@e: an innovative <em>one electron sigma bond</em> (<em>σ</em><sub>1e</sub>) emerges. Further, the geometry of <em>σ</em><sub>1e</sub> can be adjusted by varying the strength of the additional electric field. This study offers new insights into the HF clusters and demands further explorations in this field.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"283 ","pages":"Article 110429"},"PeriodicalIF":1.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143903519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-01DOI: 10.1016/j.jfluchem.2025.110428
Sheng Wang , Zhou Yu , Wenbo Chen , Yaming Wu , Chun-Hui Xing , Long Lu
An efficient and mild approach was developed for the difluoroamination of diaryl gem‑dichlorides. This transformation was achieved using the ferric chloride as a Lewis acid and difluorosulfamate tetramethylammonium salt as the difluoroamination reagent. The method exhibited moderate functional group tolerance, highlighting its versatility for introducing difluoroamino groups. And the retention of the CCl bond in the product offers the potential possibilities for subsequent modifications.
{"title":"Difluoroamination of diaryl gem-dichlorides with difluorosulfamate tetramethylammonium salts","authors":"Sheng Wang , Zhou Yu , Wenbo Chen , Yaming Wu , Chun-Hui Xing , Long Lu","doi":"10.1016/j.jfluchem.2025.110428","DOIUrl":"10.1016/j.jfluchem.2025.110428","url":null,"abstract":"<div><div>An efficient and mild approach was developed for the difluoroamination of diaryl gem‑dichlorides. This transformation was achieved using the ferric chloride as a Lewis acid and difluorosulfamate tetramethylammonium salt as the difluoroamination reagent. The method exhibited moderate functional group tolerance, highlighting its versatility for introducing difluoroamino groups. And the retention of the C<img>Cl bond in the product offers the potential possibilities for subsequent modifications.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"283 ","pages":"Article 110428"},"PeriodicalIF":1.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143912819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-01DOI: 10.1016/j.jfluchem.2025.110435
Syed Muzzamil Hussain Shah , Ebrahim Al-Qadami , Ismail Abdulazeez , Mohamed A. Yassin , Sani I. Abba , Dahiru U. Lawal , Isam H. Aljundi
Emerging pollutants (EPs), a diverse group of organic contaminants including pharmaceuticals, personal care products, and industrial chemicals such as per- and polyfluoroalkyl substances (PFAS), pose a significant threat to global water quality, human health, and ecological systems. These persistent and often unregulated compounds necessitate effective removal strategies. To better understand the range of available PFAS treatment methods in water and their reported efficiency, a literature-based systematic review was conducted in multiple phases, ensuring a thorough and structured analysis. In the first phase, a comprehensive search of Scopus and Web of Science (WoS) was performed, employing specific keywords to identify the relevant research. As this study prioritized experimental research on PFAS degradation and removal, the selection process involved excluding duplicates, non-English publications, modeling studies, book chapters, PFAS monitoring and characterization studies, and the review articles. After a thorough screening, the technical papers specifically investigating the treatment methods were selected for an in-depth analysis, focusing on the several parameters, including the medium type, target PFAS, treatment type, treatment method and the treatment efficacy. This review critically synthesizes key information on effective treatment technologies and experimental procedures, presenting a year-wise analysis of advancements and trends. Therefore, the findings presented herein provide a comprehensive overview of the progress in PFAS degradation technologies, highlighting key advancements, challenges, and research gaps. Thus, this review serves as a valuable resource to guide future research and the development of more efficient and sustainable PFAS treatment strategies.
新兴污染物（EPs）是一组不同的有机污染物，包括药品、个人护理产品和工业化学品，如全氟烷基和多氟烷基物质（PFAS），对全球水质、人类健康和生态系统构成重大威胁。这些持久性和不受管制的化合物需要有效的去除策略。为了更好地了解水中可用的PFAS处理方法的范围及其报道的效率，我们分多个阶段进行了基于文献的系统综述，以确保进行全面和结构化的分析。第一阶段，综合检索Scopus和Web of Science (WoS)，使用特定关键词识别相关研究。由于本研究优先考虑PFAS降解和去除的实验研究，因此选择过程包括排除重复、非英文出版物、建模研究、书籍章节、PFAS监测和表征研究以及综述文章。经过全面筛选，选择专门研究处理方法的技术论文进行深入分析，重点关注介质类型、靶PFAS、处理类型、处理方法、处理效果等几个参数。本综述批判性地综合了有关有效治疗技术和实验程序的关键信息，提出了对进展和趋势的年度分析。因此，本文的研究结果提供了PFAS降解技术进展的全面概述，突出了关键进展、挑战和研究差距。因此，本综述为指导未来研究和开发更有效和可持续的PFAS治疗策略提供了宝贵的资源。
{"title":"Per- and polyfluoroalkyl substances (PFASs) in water-based environments: A systematic review of treatment technologies and research trends (2017–2024)","authors":"Syed Muzzamil Hussain Shah , Ebrahim Al-Qadami , Ismail Abdulazeez , Mohamed A. Yassin , Sani I. Abba , Dahiru U. Lawal , Isam H. Aljundi","doi":"10.1016/j.jfluchem.2025.110435","DOIUrl":"10.1016/j.jfluchem.2025.110435","url":null,"abstract":"<div><div>Emerging pollutants (EPs), a diverse group of organic contaminants including pharmaceuticals, personal care products, and industrial chemicals such as per- and polyfluoroalkyl substances (PFAS), pose a significant threat to global water quality, human health, and ecological systems. These persistent and often unregulated compounds necessitate effective removal strategies. To better understand the range of available PFAS treatment methods in water and their reported efficiency, a literature-based systematic review was conducted in multiple phases, ensuring a thorough and structured analysis. In the first phase, a comprehensive search of Scopus and Web of Science (WoS) was performed, employing specific keywords to identify the relevant research. As this study prioritized experimental research on PFAS degradation and removal, the selection process involved excluding duplicates, non-English publications, modeling studies, book chapters, PFAS monitoring and characterization studies, and the review articles. After a thorough screening, the technical papers specifically investigating the treatment methods were selected for an in-depth analysis, focusing on the several parameters, including the medium type, target PFAS, treatment type, treatment method and the treatment efficacy. This review critically synthesizes key information on effective treatment technologies and experimental procedures, presenting a year-wise analysis of advancements and trends. Therefore, the findings presented herein provide a comprehensive overview of the progress in PFAS degradation technologies, highlighting key advancements, challenges, and research gaps. Thus, this review serves as a valuable resource to guide future research and the development of more efficient and sustainable PFAS treatment strategies.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"283 ","pages":"Article 110435"},"PeriodicalIF":1.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-01DOI: 10.1016/j.jfluchem.2025.110431
Matheus P. Freitas
Cyclobutane, a key cycloalkane in various functional compounds, including pharmaceuticals, exhibits significant property modifications upon fluorination, such as altered conformation, polarity, and lipophilicity. This quantum-chemical study, performed at the G3MP2B3 level, investigates the effects of mono- and difluorination of cyclobutane. It examines the energetics of incorporating axial and equatorial fluorines at geminal, vicinal, and 1,3-relative positions. Isodesmic reaction analysis reveals that fluorination of cyclobutane is thermodynamically favorable overall. However, introducing axial fluorine is less energetically favorable, rendering diaxial trans-1,2- and cis-1,3-cyclobutanes unstable. Among the isomers, 1,1-difluorocyclobutane achieves notable stabilization via an anomeric-like interaction (nF → σ*CF), whereas other isomers experience greater destabilization due to Lewis-type interactions compared to electron delocalization. Axial and equatorial C − F bonds can be distinguished by their 1JCF coupling constants. These insights are valuable for the rational design of fluorinated cyclobutane derivatives with properties influenced by the stereochemical arrangement and relative positioning of fluorine atoms.
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