Journal of Chemical Sciences最新文献

{"title":"Palladium-catalyzed site-selective arylation of alkyl 2,4- and 2,5-dihalobenzoates with aryl titanium reagents","authors":"Jing Lv","doi":"10.1007/s12039-025-02379-6","DOIUrl":"10.1007/s12039-025-02379-6","url":null,"abstract":"<div><p>General methods for the highly site-selective monocoupling of alkyl 2,4- and 2,5-dihalobenzoates have been discovered. By switching from PdCl₂(PCy₃)₂/P(<i>p</i>-MeOPh)₃ to Pd(OAc)₂/<b>L9</b>, the preferred coupling site can be shifted from the C2-position to the C4 or C5-position. The formation of the substituted alkyl monohalobenzoate derivatives is highly site-selective and tolerant to both electron-withdrawing and electron-donating groups on aryl and heteroaryl titanium reagents and the reaction gives twenty-four substituted alkyl monohalobenzoate derivatives (except for <b>4ea</b>, the other were novel compounds) were prepared and their structure was confirmed by FTIR, spectroscopy, ¹H and ¹³C NMR, and mass spectrometry. This simple synthetic route is designed to improve the rapid construction of mutiple aryl cross-coupling products.</p><h3>Graphical abstract</h3><p>The same substrate alkyl 2,4- and 2,5-dihalobenzoates can selectively generate C2-position and C4- or C5-position products by switching catalytic system from PdCl₂(PCy₃)₂/P(<i>p</i>-MeOPh)₃ to Pd(OAc)₂/<b>L9</b>. The reaction gives twentyfour substituted alkyl monohalobenzoate derivatives, and the simple synthetic route is designed to improve the rapid construction of mutiplearyl cross-coupling products.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145142341","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}

{"title":"Discovery of a novel lead compound targeting BRD4 BD2 with a di-phenyl ether fragment: Synthesis, molecular docking and drug-likeness studies","authors":"Maofeng Zhang,&nbsp;Liguang Zhang,&nbsp;Yan Zhang,&nbsp;Xin Feng,&nbsp;Rui Liang,&nbsp;Songbai Liu","doi":"10.1007/s12039-025-02386-7","DOIUrl":"10.1007/s12039-025-02386-7","url":null,"abstract":"<div><p>A series of di-phenyl ether derivatives were designed and synthesized through structure-based virtual screening followed by chemical optimization. 17 new compounds were submitted to activity evaluation against BRD4 BD2 utilizing the time-resolved fluorescence resonance energy transfer (TR-FRET) assay. Compound <b>10</b> exhibited good inhibitory activity to BRD4 BD2 with an IC₅₀ value of 0.95 <i>μ</i>M. The molecular docking studies revealed the binding mechanism of the inhibitors to BRD4 BD2. Drug-likeness predictions demonstrated acceptable drug-like profiles of representative compounds. The resulting compound <b>10</b> represents a new lead compound for further optimization to generate more potent inhibitors of BRD4 BD2.</p><h3>Graphical abstract</h3><p>A hit compound with weak binding activity was identified through virtual screening of an in-house library comprising 1,000 compounds, followed by TR-FRET assay validation of representative candidates. Structural optimization of this hit led to the discovery of a potent BRD4 BD2 inhibitor featuring a novel di-phenyl ether-coupled benzisoxazole scaffold.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141961","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}

{"title":"Ultra-low Pd chemiresistive hydrogen sensor through the reverse sintering of Pd nanoparticles on the metal-organic framework ZIF-8","authors":"Marilyn Esclance DMello,&nbsp;Nany Thokala,&nbsp;Jyothi Simav Vaz,&nbsp;Savitri Vishwanathan,&nbsp;Ganapati V Shanbhag,&nbsp;Dasi Samsonu,&nbsp;Suresh Babu Kalidindi","doi":"10.1007/s12039-025-02389-4","DOIUrl":"10.1007/s12039-025-02389-4","url":null,"abstract":"<div><p>Optimizing metal nanoparticles (NPs) efficiency through uniform dispersion and downsizing to smaller clusters/atoms holds substantial potential to enhance catalytic activity, thereby improving the sensitivity and selectivity of the sensor. Herein, we report an ultra-high dispersion of Pd (downsized to &lt;1 nm), achieved by synthesizing Pd/NC-ZnO via a reverse sintering route derived from Pd@ZIF-8. As a proof-of concept, uniform dispersion of Pd in Pd/NC-ZnO demonstrated a chemiresistive hydrogen (H₂) sensor with response of 4.6 ± 0.2% and response/recovery times of 6.1 ± 0.3/5.8 ± 0.3 s, respectively towards 1% H₂ at 120 °C, while Pd@ZIF-8, the precursor material remained innocent for sensing H₂. The sensor exhibited selective detection towards H₂ among typically interfering gases and was active for sensing at room temperature despite low loading of Pd (0.09 wt.%). This work highlights judicious usage of Pd by means of high dispersion and small-sized clusters/atoms stabilized by ideal supports to achieve low-cost, rapid H₂ sensors.</p><h3>Graphical abstract</h3><p>Despite low Pd loading (0.09 wt.%), ultra-high dispersion of Pd through reverse sintering from Pd@ZIF-8 enabled low-cost and rapid H₂ detection. The sensor Pd/NC-ZnO showed selective detection towards H₂ among typically interfering gases and was active for sensing at room temperature.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145142210","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}

{"title":"The effect of n-type and p-type semiconductors on the photoconversion of colchicine. Experimental and computational study","authors":"Fakhri O Yousef,&nbsp;Raed Ghanem,&nbsp;Haitham H Al-Sa’doni,&nbsp;Omar K Almashaqbeh,&nbsp;Baraah M Mashagba,&nbsp;Ihsan A Shehadi,&nbsp;Raed A Al-Qawasmeh,&nbsp;Hussein M Elmehdi","doi":"10.1007/s12039-025-02376-9","DOIUrl":"10.1007/s12039-025-02376-9","url":null,"abstract":"<div><p>The effect of n-type (CeO₂, SnO₂ and TiO₂) and p-type (SnO and TiO) semiconductors on the photoconversion of colchicine (COL) was investigated. All investigated semiconductors induced quenching of the fluorescence emission of COL with Stern–Volmer quenching constants <span>({k}_{sv})</span>, ranging from (1.8 ± 0.1) × 10⁴ mol⁻¹ · L for CeO₂ to (3.5 ± 0.1) × 10³ mol⁻¹ · L for TiO₂. n-type semiconductors (SnO₂ and TiO₂) exhibited the most reduction in photo conversion rate constant and yields, achieving ≈50% inhibition in the presence of 8×10⁻⁵ mol · L⁻¹ of TiO₂ and SnO₂. While p-types showed minimal effects. Density functional theory (DFT) calculations were used to provide a clear insight into the effects of semiconductors on Frontier Molecular Orbitals (FMO) structure and HOMO-LUMO energy gaps of COL. DFT calculations showed the presence of n-type semiconductors reduces the HOMO-LUMO energy gap. Moreover, in the presence of n-type semiconductors, changes in the electronic topologies and dihedral angles of phenyl, 7-membered ring and tropolone ring in COL indicate a noticeable involvement of the tropolone and phenyl <i>π</i>-systems of COL with the conduction band of the semiconductors. These results support the observed fluorescence quenching and reduction of the photoconversion rate of COL in the presence of n-type semiconductors. The combined experimental and computational results elucidate the mechanism underlying fluorescence quenching and photoconversion inhibition, highlighting the crucial role of semiconductor type in modulating COL’s photochemical behavior.</p><h3>Graphical abstract</h3><p>We investigate the role of n and p-type semiconductors on the photoconversion of colchicine. Both the semiconductors were found to quench the colchicine fluorescence, and n-type semiconductors exhibited a more pronounced effect. Moreover, it reduced colchicine, and the HOMO-LUMO energy gap influenced its electronic structure, leading to decreased photoconversion rates.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145142211","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}

{"title":"Synthesis of chromene analogues via oxidative cleavage of 1,2-diols","authors":"Narasashetty Jagadishbabu,&nbsp;Ankusab Noorahmadsab Nadaf","doi":"10.1007/s12039-025-02374-x","DOIUrl":"10.1007/s12039-025-02374-x","url":null,"abstract":"<div><p>One of the basic organic transformations is the oxidative cleavage of 1,2-diol, which is currently primarily carried out by stoichiometric oxidants like Pb(OAc)₄ or KMnO_4, producing stoichiometric hazardous waste. The current method uses 1,2-diols as key reagents instead of benzaldehydes because it has been shown that periodic acid is an effective and mild reagent for the one-pot synthesis of pyran analogues from a variety of 1,2-diols. In this process, 1,2-diols are oxidized in situ to aldehydes, which then undergo a three-component reaction with malononitrile and phenols/4-hydroxycoumarin/dimedone to yield pyran analogues. The process is accelerated by the iodic acid produced in situ from periodic acid. The process has several appealing characteristics, including mild reaction conditions, short reaction times, broad functional group tolerance, easy product isolation, and excellent yields, use of an ecofriendly oxidant, potentially making it environmentally friendly.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141862","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}

{"title":"5‐(4‐chlorophenyl)‐1‐(4‐sulphamoylphenyl)‐1H‐1,2,3‐triazole‐4‐carbothioamide: UV–Vis chemosensor for Cu2+ ions and potent non-toxic biological agent","authors":"Monika,&nbsp; Chander,&nbsp;Sandeep Kumar,&nbsp;Deepansh Sharma,&nbsp;Jaymin Parikh,&nbsp;Nisha Padhiyar,&nbsp;Vinod Kumar Jain,&nbsp;Raeesh Muhammad,&nbsp;Pawan K Sharma,&nbsp;Krunal Modi,&nbsp;Sita Ram","doi":"10.1007/s12039-025-02377-8","DOIUrl":"10.1007/s12039-025-02377-8","url":null,"abstract":"<div><p>This research introduces the development of 5‐(4‐chlorophenyl)‐1‐(4‐sulphamoylphenyl)‐1H‐1,2,3‐triazole‐4‐carbothioamide (<b>2</b>) focusing on its selective metal ion affinity and biological activities. Compound <b>2</b> exhibited remarkable selectivity for Cu²⁺ ions, demonstrating a distinctive colour change (naked-eye detection), significant alterations in absorbance and emission spectra upon exposure to copper ions, and no such responses to other metal ions. Density functional theory (DFT) studies elucidated the binding mechanism, emphasizing electron transfer as crucial in facilitating coordinate bond formation between <b>2</b> and Cu²⁺ ions. Comparative studies with another derivative, 4‐[5‐(4‐chlorophenyl)‐4‐cyano‐1H‐1,2,3‐triazol‐1‐yl]benzenesulphonamide (<b>1</b>), underscore the importance of functional group having nitrogen and sulphur atoms in compound <b>2</b>’s skeleton as pivotal binding sites for Cu²⁺ ions. Compound <b>2</b> also displayed excellent antimicrobial activity (against Gram-positive and Gram-negative bacterial strains, and a fungal strain) and notable antioxidant activity. Calculated values of ADME parameters confirmed the favourable drug-likeness behaviour of <b>2</b>. Non-toxic nature of <b>2</b> proves it applicable for Cu²⁺ detection in systems, where both biocompatibility and sensing ability are required.</p><h3>Graphical abstract</h3><p>This research presents novel photophysical and biological applications of 5‐(4‐Chlorophenyl)‐1‐(4‐sulfamoylphenyl)‐1H‐1,2,3‐triazole‐4‐carbothioamide (2) as a chemosensor and antimicrobial as well as anti-oxidant agent, respectively. Compound 2 exhibited a distinct color change from colorless to yellow with Cu2+ ions, selectively. Further, compound 2 exhibited excellent inhibition potential against the growth of pathogenic microbes as well as free radicals.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145144562","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}

{"title":"Performance evaluation of supported cerium catalysts for catalytic ozonation of 4-chlorophenol in wastewater","authors":"Jun He,&nbsp;Jianing Dou,&nbsp;Wenchao Song,&nbsp;Tao Song,&nbsp;Jiaqi Chen,&nbsp;Xuan Lin","doi":"10.1007/s12039-025-02385-8","DOIUrl":"10.1007/s12039-025-02385-8","url":null,"abstract":"<div><p>CeO₂/chitosan/expanded graphite (CeO₂/CS/EG) was prepared by hydrothermal synthesis and used for the heterogeneous catalytic ozonation of 4-chlorophenol (4-CP) in wastewater. The catalysts were characterized by XRD, SEM, EDS, BET, XPS and FT-IR. In order to study the catalytic activity of CeO₂/CS/EG, the catalytic performance of CeO₂/CS/EG/O₃ system was compared with other reaction systems, and the effects of catalyst dosage, pH, initial 4-CP concentration, O₃ concentration and co-existing ions on the degradation of 4-CP in this system were investigated. The results showed that CeO₂/CS/EG/O₃ system showed high catalytic activity for 4-CP degradation. Under the optimal conditions (pH &gt; 6.5, catalyst dosage 1.0 g L^–1, initial concentration of 4-CP 100 mg L^–1, ozone concentration 2.5 mg L^–1, reaction time 30 min), the removal rate and mineralization rate of 4-CP reached 99.4% and 70.2%, respectively. This degradation process conformed to first-order reaction kinetics. After five consecutive catalytic cycles, the removal rate of 4-CP was still above 97%, showing the excellent stability and reusability of CeO₂/CS/EG. The ·OH was identified as the main reactive species causing 4-CP degradation through free radical scavenging experiments. According to the main intermediates measured by the HPLC-MS technique, five possible degradation processes of 4-CP catalytic ozonation were deduced.</p><h3>Graphical abstract</h3><p>CeO₂/chitosan/expanded graphite (CeO₂/CS/EG) were prepared by hydrothermal synthesis and used for heterogeneous catalytic ozonation of 4-chlorophenol (4-CP) in wastewater. The results showed that the removal efficiency of 4-CP and total organic carbon (TOC, a key parameter representing the total carbon content in organic compounds that indicates mineralization degree) reached 99.4 and 70.2% under optimal conditions. Besides, OH^⋅ was identified as the main substance causing 4-CP degradation.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145143684","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}

{"title":"Design and synthesis of deep-red dual-state emission triphenylamine derivatives for mechanochromism and H2S detection","authors":"Fangjie Chen,&nbsp;Shuyi Yao,&nbsp;Jianli Yan,&nbsp;Gaobin Zhang","doi":"10.1007/s12039-025-02384-9","DOIUrl":"10.1007/s12039-025-02384-9","url":null,"abstract":"<div><p>Developing dual-state emission fluorogens (DSEgens) with highly efficient emission in both solution and solid state is an emerging research topic in the optical field. Especially, DSEgens with deep-red emission are particularly scarce. In this work, two donor–acceptor–donor (D-A-D) type triphenylamine derivatives (TBT-2CN and TBT-4CN) were designed, synthesized and characterized. The compounds possess highly efficient emission in both solution and aggregation states. The fluorescence of TBT-2CN and TBT-4CN solid emit deep-red fluorescence at 620 and 770 nm, respectively. Meanwhile, TBT-2CN and TBT-4CN exhibited reversible mechanochromism properties, in which the fluorescence spectra of the compounds were red-shifted by 9 and 67 nm after grinding. Moreover, the spectra reverted to the initial state after being fumed by dichloromethane for a few minutes. In addition, the compounds were sensitive to H₂S. The solutions and paper-based devices of the molecules could detect the H₂S in both solution and solid states.</p><h3>Graphical abstract</h3><p>Two novel triphenylamine derivatives with deep-red dual-state emission were designed and synthesized for reversible mechanochromism and H₂S detection.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145143683","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}

{"title":"Improved bio-catalytic activity of Pseudomonas cepacia lipase immobilized on binary blend polymer matrix for kinetic resolution: Green metrics evaluation","authors":"Ganesh V More,&nbsp;Kirtikumar C Badgujar,&nbsp;Bhalchandra M Bhanage","doi":"10.1007/s12039-025-02380-z","DOIUrl":"10.1007/s12039-025-02380-z","url":null,"abstract":"<div><p>Enzyme immobilization on a biocompatible, robust, reusable solid support is an effective strategy to augment the catalytic performance of free/native enzyme. Herein, a hybrid polymeric blend made up of biocompatible chitosan (CHI) and polyvinyl alcohol (PVA) carrier was successfully used to immobilize <i>Pseudomonas cepacia</i> lipase (PCL). The biocatalyst (PVA:CHI:PCL) was investigated for the kinetic resolution (KR) of racemic secondary alcohol 1-phenylethanol. Results showed that the developed biocatalyst offered significant biocatalytic activity for the kinetic resolution of 1-phenylethanol with conversion of 49% to the respective acetate of one isomer and excellent enantiomeric excess of substrate (ee_s:96%) as well as enantiomeric excess of product (ee_p:99%) and enantioselectivity (E). Further, synthesized binary blend biocatalyst offered excellent reusability up to six consecutive cycles with 41% conversion, 72% ee_s, and 98% ee_p at sixth recycle. Interestingly, immobilized biocatalyst displayed exceptionally enhanced biocatalytic activity as compared to free lipase PCL. Further study is extended to evaluate the green metrics involving determination of E-factor, atom efficiency, atom utilization and mass intensity. Results showed that use of the immobilized biocatalyst offered two-fold higher conversion than free lipase and better greener metrics as compared to that of free lipase.</p><h3>Graphical abstract</h3><p>Lipase PCL immobilized on PVA:CHI support was applied as a biocatalyst for kinetic resolution of (±)1-phenylethanol to offer 49% conversion with excellent enantiomeric excess of substrate (ee_s:96%), product (ee_p:99%) and enantioselectivity. The developed biocatalyst offered two-fold higher conversion, recyclability and better greener metrics in terms of E-factor, mass-intensity, and atom-efficiency than free lipase.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145143454","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}

{"title":"Role of copper in modified TiO2 for photocatalytic degradation of gaseous isopropanol from air under ultraviolet and visible light radiation","authors":"Parvaneh Nakhostin Panahi,&nbsp;Zahra Karami,&nbsp;Razieh Habibpour,&nbsp;Aligholi Niaei","doi":"10.1007/s12039-025-02382-x","DOIUrl":"10.1007/s12039-025-02382-x","url":null,"abstract":"<div><p>In this research, TiO₂ and copper-modified TiO₂ were investigated in the process of isopropanol photocatalytic removal from the air. Modification of TiO₂ with copper was carried out using two methods: impregnation and chemical reduction. XRD, XPS, FESEM, EDAX, PL and UV–Vis DRS were used to study the chemical and physical characteristics of TiO₂ and copper-modified TiO₂. UV–Vis DRS and PL results indicated that copper loading on TiO₂ increases absorption in the visible range and significantly reduces the recombination of photoelectron and hole pairs. XRD and XPS analyses showed that both copper species i.e., Cu₂O and CuO exist in the Cu_<i>x</i>O/TiO₂(RE) photocatalyst. According to photocatalytic tests, copper-modified TiO₂ exhibited enhanced photocatalytic activity compared to pure TiO₂, and the optimal photocatalyst (Cu_<i>x</i>O(1%)/TiO₂(RE)) decomposed 100% isopropanol under visible light radiation.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145143373","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}