Journal of Chemical Sciences最新文献

{"title":"Intensification of n-octyl acetate synthesis over H5PW10V2O40/FAC catalyst using ultrasound-assisted reactor","authors":"Vishnu A Gite,&nbsp;Virendra K Rathod","doi":"10.1007/s12039-025-02355-0","DOIUrl":"10.1007/s12039-025-02355-0","url":null,"abstract":"<div><p>The orange flavour, <i>n</i>-octyl acetate, was synthesized in the presence of ultrasound (US) over an H₅PW₁₀V₂O₄₀ /FAC catalyst. The effect of parameters such as temperature (A), alcohol to acid ratio (B), duty cycle (C) and ultrasound power (D) on the conversion was optimised using response surface methodology. Various experiments were designed as per the central composite design method using the design of expert software. The relation between operating variables and conversion was established by a quadratic mathematical model equation. The relation of independent variables and their effect on conversion was explained by executing the statistical analysis and analysis of variance. The optimum solution of the maximum conversion of 78.2% in 180 minutes was obtained in the presence of US horn at parameters viz temperature (373 K), mole ratio (<i>n</i>-octyl alcohol to acetic acid) (2), duty cycle (80%) and ultrasound power (100 W). The intensification by US horn was compared to conventional processes.</p><h3>Graphical abstract</h3><p>The <i>n</i>-octyl acetate was synthesized over an H₅PW₁₀V₂O₄₀/FAC catalyst in the presence of ultrasound irradiation. It has many applications in cosmetics, hair products, and skin locations. The synthesis of <i>n</i>-octyl acetate in the ultrasound process was compared with the conventional synthesis. There was a considerable reduction in reaction time in ultrasound-assisted synthesis.\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 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908625","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":"Iodine and acid catalyzed efficient synthesis of anthracenyl porphyrin with different spectroscopic studies","authors":"Anshu Dandia","doi":"10.1007/s12039-025-02354-1","DOIUrl":"10.1007/s12039-025-02354-1","url":null,"abstract":"<div><p>Meso tetra-anthracenyl porphyrin (TAP) was synthesized by pyrrole and 9-anthraldehyde (9-anthracene carboxaldehyde) in different yields. In the current synthetic methods, meso tetra-anthracenyl porphyrin (TAP) was synthesized with 8% yields. The first method involved iodine (I₂) as Lewis acid, and in the second method, hydroxyl ammonium chloride (NH₂OH·HCl) was used as a Lewis acid and proceeded in the presence of nitrobenzene. The formation of the product was confirmed with the help of various characterizations i.e., UV-visible, ¹H NMR, ¹³C NMR and mass spectrometry.</p><h3>Graphical abstract</h3><p> The 5,10,15,20-tetra(9-anthracenyl) porphyrin (TAP) was synthesized by two newer methods in high yield (8% yield). The first method involved iodine (I₂) as a catalyst which proceeded at room temperature, and in the second method, hydroxyl ammonium chloride (NH₂OH·HCl) was used as a Lewis acid and proceeded in the presence of nitrobenzene. The various UV-vis studies of TAP were studies with different salts and acids.</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 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143896677","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":"Thiamine hydrochloride catalyzed environmentally benign synthesis of benzodiazepines in water","authors":"Rajesh D Shanbhag,&nbsp;Yatin U Gadkari,&nbsp;Angad B Barkule,&nbsp;Savita B Lomte,&nbsp;Vikas N Telvekar","doi":"10.1007/s12039-025-02367-w","DOIUrl":"10.1007/s12039-025-02367-w","url":null,"abstract":"<div><p>A rapid and environmentally friendly method was developed for synthesizing 1,5-benzodiazepine derivatives, utilizing catalytic quantities of thiamine hydrochloride in an aqueous media. The desired compounds were acquired with notable yields by amalgamating variously substituted aryl aldehydes with dimedone and o-phenylene diamine using thiamine hydrochloride as a catalyst. This approach presents several benefits, including swift reaction kinetics, utilization of eco-friendly solvents, straightforward workup procedures and a facile purification process, ensuring energy conservation and extensive compatibility with diverse substrates.</p><h3>Graphical Abstract</h3><p><b>Synopsis</b>. A green, rapid, and efficient method for synthesizing 1,5-benzodiazepine derivatives was developed using thiamine hydrochloride as a catalyst in water. This environmentally benign approach achieved excellent yields, compatibility with diverse substrates, and minimal reaction times, highlighting its potential as a sustainable alternative in heterocyclic compound synthesis.\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 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883580","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":"Sulfonic acid group modified ZSM-5 zeolite as a highly active catalyst for the hydration of cyclohexene to cyclohexanol","authors":"Yi Chen,&nbsp;Heman Qin,&nbsp;Qian Zhang,&nbsp;Yatao Wang,&nbsp;Yunkai Lv,&nbsp;Libo Niu","doi":"10.1007/s12039-025-02350-5","DOIUrl":"10.1007/s12039-025-02350-5","url":null,"abstract":"<div><p>In this work, sulfonic acid group modified ZSM-5 (SFZ-<i>x</i>, <i>x</i> presents the weight percentage of mercaptopropyltrimethoxysilane during preparation) has been prepared by introducing sulfydryl on ZSM-5 and then oxidizing them into the sulfonic acid group. The obtained samples were characterized by XRD, N₂ adsorption/desorption, FTIR, and SEM and studied the catalytic performance in the hydration of cyclohexene to produce cyclohexanol. The characterization results showed that with the introduction of -SO₃H, the crystallinity of SFZ-15 decreased slightly, and the Brønsted acid sites obviously increased, while the pore structure was almost unchanged inside the ZSM-5 zeolites. Therefore, SFZ-15 exhibits better catalytic performance in the hydration of cyclohexene to produce cyclohexanol compared to commercial ZSM-5. Furthermore, this SFZ-15 catalyst kept the conversion of cyclohexene over 12% and the selectivity of cyclohexanol over 99% even after five runs, demonstrating the benefit of –SO₃H functionalization on the activity improvement of traditional ZSM-5 catalyst.</p><h3>Graphical abstract</h3><p> The sulfonic acid group modified ZSM-5 zeolite has been prepared by introducing sulfydryl on ZSM-5 and then oxidizing them into the sulfonic acid group. The prepared catalyst exhibits excellent catalytic performance in the hydration of cyclohexene to produce cyclohexanol.</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 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883579","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":"Topological analysis of non-conjugated ethylene oxide cored dendrimers decorated with tetraphenylethylene: Insights from degree-based descriptors using the polynomial approach","authors":"A Theertha Nair,&nbsp;D Antony Xavier,&nbsp;Annmaria Baby,&nbsp;S Akhila","doi":"10.1007/s12039-025-02353-2","DOIUrl":"10.1007/s12039-025-02353-2","url":null,"abstract":"<div><p>Topological descriptors are quantitative parameters that correlate the attributes of molecular structures, providing insights into their chemical properties and behavior. With the increasing significance of dendrimers in drug design, driven by advancements in technology, our study focuses on the topological analysis of non-conjugated ethylene oxide cored dendrimer decorated with tetraphenylethylene. We derive key degree-based descriptors, including degree, neighborhood degree, and reverse degree, using the novel M-polynomial approach. This innovative method not only facilitates the calculation of these descriptors but also has the potential to generate additional descriptors. Our results demonstrate the applicability of these descriptors in Quantitative Structure-Property Relationship (QSPR) and Quantitative Structure-Activity Relationship (QSAR) models, predicting properties across different generations of the dendrimer. Furthermore, a graphical comparison is provided to enhance the understanding and analysis of the derived descriptors. This work represents a significant step forward in the mathematical modeling of dendritic structures, offering new tools for researchers in the field of chemical graph theory and molecular chemistry.</p><h3>Graphical abstract</h3><p>This study presents a computational framework for predicting molecular properties without experimental research. Molecular descriptors, including degree based and entropy measures, are utilized in QSPR analysis. Statistical tools and regression models facilitate property prediction, offering valuable insights into molecular structures and their characteristics through topological descriptors.</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 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143888749","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":"Lewis acid-catalyzed diazo insertion into electron-deficient C–H bonds","authors":"Jalaj Kumar Pathak,&nbsp;Namrata Rastogi","doi":"10.1007/s12039-025-02371-0","DOIUrl":"10.1007/s12039-025-02371-0","url":null,"abstract":"<div><p>We developed a mild protocol for the formal insertion of diazo compounds into the C–H bond of electron deficient 1,3-dicarbonyl compounds. The Lewis acid-catalyzed reaction proceeds through protonation of the diazo compound followed by nucleophilic substitution of diazo-N₂ with dicarbonyl substrate. The reaction is notable for its mild conditions, wide substrate scope and high yields of the products.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883578","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":"Formal [4+2] annulation of β-aminoacrylamides and malononitrile: a synthetic route to substituted pyridin-2(1H)-ones","authors":"Xin Liu,&nbsp;Jiawang Li,&nbsp;Rui Zhang,&nbsp;Dewen Dong","doi":"10.1007/s12039-025-02360-3","DOIUrl":"10.1007/s12039-025-02360-3","url":null,"abstract":"<div><p>A facile and efficient synthesis of polysubstituted pyridin-2(1<i>H</i>)-ones has been developed <i>via</i> a formal [4+2] annulation of readily available <i>α</i>-functionalized <i>β</i>-aminoacrylamides and malononitrile in the presence of potassium carbonate (K₂CO₃) in dimethylsulfoxide (DMSO).</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 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143840292","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 and characterization of poly(4-vinylbenzyl-graft-ethylene glycol methyl ether) amphiphilic graft copolymer via free-radical polymerization and ‘click’ chemistry","authors":"Bedrettin Savaş,&nbsp;Temel Öztürk,&nbsp;Elif Günaydin,&nbsp;Murat Emre Akman","doi":"10.1007/s12039-025-02368-9","DOIUrl":"10.1007/s12039-025-02368-9","url":null,"abstract":"<div><p>Poly(4-vinylbenzyl-graft-ethylene glycol methyl ether) (poly(VB-g-mPEG)) amphiphilic graft copolymer was obtained using ‘click’ chemistry of polyethylene glycol methyl ether propargyl (mPEG-propargyl) and terminal azido poly(4-vinylbenzyl chloride) (PVB-N₃). Using 2,2′-azobis(2-methylpropionitrile) and 4-vinylbenzyl chloride, poly(4-vinylbenzyl chloride) (PVBC) was created by free-radical polymerization (FRP). PVB-N₃ was obtained using PVBC and sodium azide. Propargyl chloride and polyethylene glycol methyl ether were reacted to form mPEG-propargyl. The ‘click’ chemical method created poly(VB-g-mPEG) amphiphilic graft copolymer by reacting PVB-N₃ with mPEG-propargyl. ¹H-NMR, DSC, FTIR and GPC characterized the products. The spectroscopic and thermal studies monitored that poly(VB-g-mPEG) was built via combining FRP and ‘click’ chemistry.</p><h3>Graphical Abstract</h3><p>The synthesis of poly(4-vinylbenzyl-graft-ethylene glycol methyl ether) amphiphilic graft copolymer was demonstrated in this study by using “click” chemistry and free radical polymerization. The synthesized products were characterized by using ¹H-NMR, DSC, FT-IR, and GPC instruments. Here, we aimed to report on synthesizing the amphiphilic graft copolymer using “click” chemistry and free radical polymerization methods.</p>\u0000<div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"137 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143840291","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":"Structural distortions leading to potential polar materials in n (=) 3 and 4 Dion–Jacobson-layered perovskite series","authors":"Sachin Pal,&nbsp;Sitharaman Uma","doi":"10.1007/s12039-025-02363-0","DOIUrl":"10.1007/s12039-025-02363-0","url":null,"abstract":"<div><p>This study describes the synthesis and comprehensive characterization of solid solutions in the <i>n</i> <span>(=)</span> 3 and 4 members of the Dion–Jacobson (DJ) family of layered perovskites, <span>(text{A}^prime{text{Ca}}_{2-x})</span>Cd_<i>x</i>Nb₃O₁₀ and A′Ca_2-<i>x</i>Cd_<i>x</i>NaNb₄O₁₃ (A′ <span>(=)</span> Rb, Cs) (0 ≤ <i>x</i> ≤ 2). In the <i>n</i> <span>(=)</span> 3 series, both Rb and Cs oxides exhibit a transition from centrosymmetric (CS) towards non-centrosymmetric (NCS) polar structures (S.G. <i>Ima</i>2, <i>a</i>_O ~ 29.7 Å, <i>b</i>_O ~ 5.39 Å, <i>c</i>_O ~ 5.43 Å) from <i>x</i> <span>(=)</span> 1 resembling <i>x</i> <span>(=)</span> 2 phases, A′Cd₂Nb₃O₁₀ (A′ <span>(=)</span> Rb, Cs). In the <i>n</i> <span>(=)</span> 4 series, the transitions to acentric polar oxides occur for the Rb analogs (<i>x</i> ≥ 1.75). The polar RbCd₂NaNb₄O₁₃ (<i>n</i> <span>(=)</span> 4) was confirmed through positive second harmonic generation and Le Bail refinements of the PXRD data. Structures of the Cs analogs and the rest of solid solution members including that for Rb adopt a CS tetragonal symmetry (S.G. <i>P</i>4/<i>mmm</i>, <i>a</i>_T ~ 3.9 Å; <i>c</i>_T ~ 18.9 Å), as demonstrated by the Rietveld refinements. Raman spectroscopy corroborates the local distortions of NbO₆ units. Estimation of the optical band gaps and valence and conduction bands energy levels illustrate their utilization for potential photocatalytic applications.</p><h3>Graphical abstract</h3><p>The colour wheel reveals the transition from centrosymmetric (CS) to non-centrosymmetric (NCS) structures based on the Cd content in the Dion-Jacobson (n <span>(=)</span> 3, 4) layered perovskite oxides, <span>(text{A}^prime{text{Ca}}_{2-x})</span>CdxNan-3NbnO3n+1 (A′ <span>(=)</span> Rb, Cs; 0 ≤ x ≤ 2.0), forming a significant group of potential functional materials.\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 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830798","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":"First-principles insights into biphenylene-based graphynes: promising novel two-dimensional carbon allotropes for thermoelectric applications","authors":"Esackraj Karthikraja,&nbsp;Naga Venkateswara Rao Nulakani,&nbsp;Pandiarajan Devi,&nbsp;Palanichamy Murugan,&nbsp;Kothandaraman Ramanujam,&nbsp;V G Vaidyanathan,&nbsp;Venkatesan Subramanian","doi":"10.1007/s12039-025-02361-2","DOIUrl":"10.1007/s12039-025-02361-2","url":null,"abstract":"<div><p>Graphene is not an ideal candidate for thermoelectric applications due to its inherent high electrical and thermal conductivity. Graphynes are another class of carbon-based materials that exhibit a unique combination of sp² and sp hybridization in the carbon network. Certain graphynes are promising candidates for thermoelectric applications owing to their semiconducting nature and the presence of acetylenic linkers, i.e. <i>γ</i>-graphyne. In this work, we designed novel forms of biphenylene-based graphynes (BPNYnes) for potential use in thermoelectric applications. Density functional theory (DFT) has been employed to examine the electronic, structural and mechanical properties of various BPNYne nanosheets. The incorporation of the acetylenic <i>π</i>-conjugations altered the metallic nature of the pristine biphenylene monolayer. Boltzmann transport theory-based calculations reveal that the induced band gap in the carbon nanosheets significantly enhances the thermoelectric performance. Notably, 6,8,16-BPNYne nanosheet exhibits promising thermoelectric efficiency, with a figure of merit (<i>ZT</i>) significantly surpassing that of conventional carbon materials such as graphene and graphynes. This study suggests that these novel carbon allotropes could be viable candidates for future thermoelectric devices, offering a combination of high electrical conductivity and optimized Seebeck coefficients.</p><h3>Graphical abstract</h3><p>The BPNYne nanosheets resemble graphyne-like carbon networks with excellent dynamic and thermal stability. Notably, 6,8,16-BPNYne nanosheet shows promising thermoelectric efficiency, making it a potential candidate for thermoelectric applications.</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 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143793194","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}