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Adsorption of perfluoroalkyl substances from contaminated water on functionalized organosilica 官能化有机二氧化硅吸附污染水中全氟烷基物质的研究
IF 1.8 4区 化学
Journal of Chemical Sciences Pub Date : 2026-08-24 DOI: 10.1007/s12039-026-02570-3
Elisha Kabutey, Erin Gardner, Erica Tocholke, Ray Mohseni, Aleksey Vasiliev
{"title":"Adsorption of perfluoroalkyl substances from contaminated water on functionalized organosilica","authors":"Elisha Kabutey,&nbsp;Erin Gardner,&nbsp;Erica Tocholke,&nbsp;Ray Mohseni,&nbsp;Aleksey Vasiliev","doi":"10.1007/s12039-026-02570-3","DOIUrl":"10.1007/s12039-026-02570-3","url":null,"abstract":"<div><p>In this work, we report the synthesis of bridged organosilica materials and their successful application for adsorption of perfluoroalkyl substances (PFAS). The materials were synthesized by sol-gel method from bis[3-(trimethoxysilyl)propyl]-amine in the absence of a surfactant and a catalyst. For better performance, the surface amino groups of organosilica were converted to hydrochloride. The obtained adsorbents demonstrated excellent adsorption capacity on ammonium or potassium salts of PFAS (up to 0.42 mmol/g). The presence of adsorbed substances was confirmed by elemental analysis and FT-IR spectroscopy. Adsorption led to agglomeration of organosilica nanoparticles and a decrease in their surface area. Successful desorption of PFAS from the surface was achieved by treatment with aqueous or ethanolic NaOH solution.</p><h3>Graphical abstract</h3><p>Porous organosilica materials were synthesized using a sol-gel polycondensation of bis[3-(trimethoxysilyl)propyl]amine. The method is environmentally friendly, as it does not involve toxic surfactants or acid/base catalysts. The resulting materials demonstrated high efficiency in adsorbing PFAS from contaminated water. The adsorption of PFAS was reversible, with easy desorption in alkaline media.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148837709","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}
引用次数: 0
Beyond disproportionation: Electrocatalytic upcycling of formaldehyde 歧化以外:甲醛的电催化升级回收
IF 1.8 4区 化学
Journal of Chemical Sciences Pub Date : 2026-08-19 DOI: 10.1007/s12039-026-02588-7
Amit Paul
{"title":"Beyond disproportionation: Electrocatalytic upcycling of formaldehyde","authors":"Amit Paul","doi":"10.1007/s12039-026-02588-7","DOIUrl":"10.1007/s12039-026-02588-7","url":null,"abstract":"<div><p>Plastic pollution is a significant environmental issue in the 21<sup>st</sup> century, and polyoxymethylene (POM) is a key component that needs upcycling into useful chemicals. POM undergoes depolymerization to produce a toxic chemical, formaldehyde. In a notable advancement, Ruquan Ye and co-workers demonstrated a one-pot electrochemical process that converts formaldehyde into formic acid at the anode and methanol at the cathode, utilizing Pt<sub>2</sub>Ru and a hydrophobic CuTAPc-layer catalysts, respectively with exceptional Faradaic efficiencies.</p><h3>Graphical abstract</h3><p>Ruquan Ye and co-workers report one-pot depolymerisation of polyoxymethylene (POM) to formaldehyde in an acidic solution, and, in the same acidic medium, electrochemical conversion of formaldehyde to methanol (cathode) and formic acid (anode) in a single electrochemical cell, with remarkable Faradaic efficiencies.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148782612","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}
引用次数: 0
Intermolecular interactions of nitrogen-substituted chalcogen heterocycles: From electron density to binding energy landscapes 氮取代的硫杂环的分子间相互作用:从电子密度到结合能景观
IF 1.8 4区 化学
Journal of Chemical Sciences Pub Date : 2026-08-19 DOI: 10.1007/s12039-026-02557-0
Haimyapriya Buragohain, Ramesh C Deka, Kaushik Talukdar
{"title":"Intermolecular interactions of nitrogen-substituted chalcogen heterocycles: From electron density to binding energy landscapes","authors":"Haimyapriya Buragohain,&nbsp;Ramesh C Deka,&nbsp;Kaushik Talukdar","doi":"10.1007/s12039-026-02557-0","DOIUrl":"10.1007/s12039-026-02557-0","url":null,"abstract":"<p>Nitrogen-substituted chalcogen heterocycles (oxazole, thiazole, and selenazole) are electron-rich aromatic compounds with significant biological relevance. In this study, we investigate their noncovalent interactions with formic acid (FA) using a combination of ab initio and density functional theory methods. Molecular electrostatic potential (MESP) analysis identifies the ring nitrogen atom as the primary hydrogen bond acceptor. Six stable complexes were optimized, and natural bond orbital (NBO) analysis revealed substantial charge transfer from the nitrogen lone pair to the σ*(O–H) antibonding orbital of formic acid, confirming the dominance of N⋯H–O hydrogen bonding. Symmetry-adapted perturbation theory (SAPT) decomposition highlights a dominant electrostatic contribution, accompanied by induction and dispersion components, following the energetic trend: FA-Thiazole &gt; FA-Selenazole &gt; FA-Oxazole. Quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) analyses characterize the hydrogen bonds as moderate-strength, closed-shell interactions with partial covalent character. Additionally, substitution at <i>α</i> and <i>β</i> positions of oxazole with electron-donating or -withdrawing groups significantly alters the MESP distribution and binding strength. These findings provide key insights into heterocycle-based molecular interactions, with implications for supramolecular chemistry, drug design, and molecular recognition.</p><p>The competitive dynamics of hydrogen bonding in nitrogen-substituted chalcogen heterocycles with formic acid are studied to understand the delicate balance between electrostatic and dispersion components.</p>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148782751","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}
引用次数: 0
Modeling C60 fullerene encapsulation effects on the stability of beryllium dimer 模拟C60富勒烯包封对铍二聚体稳定性的影响
IF 1.8 4区 化学
Journal of Chemical Sciences Pub Date : 2026-08-14 DOI: 10.1007/s12039-026-02558-z
Anubhav Rajyan, Sourav Pal
{"title":"Modeling C60 fullerene encapsulation effects on the stability of beryllium dimer","authors":"Anubhav Rajyan,&nbsp;Sourav Pal","doi":"10.1007/s12039-026-02558-z","DOIUrl":"10.1007/s12039-026-02558-z","url":null,"abstract":"<div><p>Employing density functional theory (DFT), the potential energy curve (PEC) of encapsulated beryllium dimer (Be<sub>2</sub>@C<sub>60</sub>) and isolated beryllium dimer have been generated to study the effects of C<sub>60</sub> Fullerene’s encapsulation on the PEC of beryllium dimer to analyze the dimer’s stability inside a constrained C<sub>60</sub> fullerene. The stability of the dimer is numerically gauged by the analysis of equilibrium position, difference of energy between 6 Å point and the point representing equilibrium position (activation energy) and the steepness of the PEC of the dimer under encapsulation. The PECs for both systems are drawn at the mPW2PLYP/cc-pVTZ level of theory. The PEC for Be<sub>2</sub>@C<sub>60</sub> is drawn by considering both D<sub>5d</sub> and D<sub>3d</sub> symmetry and considering fullerene as a rigid cage with only relaxation of beryllium atoms inside the fullerene. To ensure the computational accuracy of each single point energy calculation, energy tolerance of 10<sup>–9</sup> Eh, integral cutoffs of 10<sup>–12</sup>, and large DFT Grid are used. Further, the second order converger (TRAH SCF) is used selectively. Numerical analysis of the PECs of both systems resulted in a shift of equilibrium position towards longer bond length of the dimer, immense increase in activation energy, and a steeper PEC in case of encapsulation in comparison to isolated beryllium dimer. Large activation energy and a steeper PEC reflects the stability of the dimer under encapsulation. These results are further supported by the topological analysis of electron density distribution.</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":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752063","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}
引用次数: 0
Effect of accelerator and sulphur concentration on crosslinking, physico-mechanical properties of hydrogenated acrylonitrile butadiene rubber vulcanizates 促进剂和硫浓度对氢化丁腈橡胶硫化胶交联及物理力学性能的影响
IF 1.8 4区 化学
Journal of Chemical Sciences Pub Date : 2026-07-30 DOI: 10.1007/s12039-026-02539-2
Gouravaram Rajesh, Saiyam Dobhal, P Rama Subba Reddy, Ivaturi Srikanth, Subrahmanyam Challapalli
{"title":"Effect of accelerator and sulphur concentration on crosslinking, physico-mechanical properties of hydrogenated acrylonitrile butadiene rubber vulcanizates","authors":"Gouravaram Rajesh,&nbsp;Saiyam Dobhal,&nbsp;P Rama Subba Reddy,&nbsp;Ivaturi Srikanth,&nbsp;Subrahmanyam Challapalli","doi":"10.1007/s12039-026-02539-2","DOIUrl":"10.1007/s12039-026-02539-2","url":null,"abstract":"<div><p>Optimizing the accelerator/sulphur (A/S) ratio is essential for achieving the desired properties in sulphur-cured hydrogenated acrylonitrile butadiene rubber (HNBR). This study systematically investigates the crosslinking efficiency of sulphur-cured HNBR with acrylonitrile (ACN) contents of 21% and 39% as a function of the A/S ratio (0.5-12), encompassing conventional (CV), semi-efficient (semi-EV), and efficient vulcanization (EV) systems. Through moving die rheometry and equilibrium swelling analysis, optimal A/S ratios of 1 and 4 were identified for the 21% and 39% ACN HNBR, respectively, maximizing crosslink density. Infrared (IR) spectroscopy confirmed changes in network structure, including the consumption of residual unsaturation, while X-ray photoelectron spectroscopy (XPS) studies revealed the prevalence of different sulphur linkages. The enhanced tensile performance of the 39% ACN HNBR is attributed to a combination of increased physical crosslinks and strain-induced crystallization. This study establishes quantitative relationships between the A/S ratio and crosslink characteristics, providing a basis for tailoring sulphur vulcanization of HNBR.</p><h3>Graphical abstract</h3><p>\u0000Effect of Accelerator to Sulphur ratio on mechanical properties of HNBR with low anf high ACN content.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148614941","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}
引用次数: 0
The effect of nonadiabaticity in H + H(_2) reaction: A quantum wavepacket dynamics on adiabatic and diabatic potential energy surfaces H + H (_2)反应中非绝热的影响:绝热和非绝热势能面上的量子波包动力学
IF 1.8 4区 化学
Journal of Chemical Sciences Pub Date : 2026-07-25 DOI: 10.1007/s12039-026-02554-3
Ahitagni Roy, Amarendra Ghosh, Saikat Hazra, Satrajit Adhikari
{"title":"The effect of nonadiabaticity in H + H(_2) reaction: A quantum wavepacket dynamics on adiabatic and diabatic potential energy surfaces","authors":"Ahitagni Roy,&nbsp;Amarendra Ghosh,&nbsp;Saikat Hazra,&nbsp;Satrajit Adhikari","doi":"10.1007/s12039-026-02554-3","DOIUrl":"10.1007/s12039-026-02554-3","url":null,"abstract":"<p>We employ a fully close-coupled three-dimensional time-dependent wavepacket (FCC-3D-TDWP) approach in hyperspherical coordinates to investigate the H + H<span>(_2)</span> exchange reaction on recently constructed ground adiabatic as well as Beyond Born–Oppenheimer (BBO)-based three-state diabatic potential energy surfaces (<i>J. Phys. Chem. A</i> 2025 <b>129</b> 6315–6332). For the reaction, H + H<span>(_2)</span>(<span>(v=0)</span>, <span>(j=0)</span>) <span>(rightarrow)</span> H<span>(_2)</span>(<span>(v')</span>, <span>(j')</span>) + H over the total energy range <span>(0.6 le E_textrm{tot} le 4.5)</span> eV, adiabatic state-to-state reaction probabilities, cross-sections, and product rotational distributions are calculated for total angular momenta up to <span>(J=50)</span>, whereas for the diabatic case, state-to-state and total reaction probabilities are computed at <span>(J=0)</span>. Calculated adiabatic and diabatic reaction attributes are compared with earlier theoretical results. Though the reaction probabilities as well as cross-sections calculated on adiabatic potential energy surface are qualitatively close to the earlier theoretical profiles, the reaction probability at <span>(J=0)</span> on diabatic surfaces is substantially different from existing theoretical ones. The difference originates from the inclusion of <i>ab initio</i> computed non-adiabatic coupling terms in the construction of diabatic Hamiltonian and thereafter, in dynamical calculations.</p>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148614111","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}
引用次数: 0
Dynamic basis for substrate recognition in a precursor ribosome by erythromycin resistance methyltransferase 红霉素抗性甲基转移酶在前体核糖体中识别底物的动态基础
IF 1.8 4区 化学
Journal of Chemical Sciences Pub Date : 2026-07-24 DOI: 10.1007/s12039-026-02553-4
Rajat Mukherjee, Sombuddha Sengupta, Advait Risbud, Ruchi Anand, Arindam Chowdhury
{"title":"Dynamic basis for substrate recognition in a precursor ribosome by erythromycin resistance methyltransferase","authors":"Rajat Mukherjee,&nbsp;Sombuddha Sengupta,&nbsp;Advait Risbud,&nbsp;Ruchi Anand,&nbsp;Arindam Chowdhury","doi":"10.1007/s12039-026-02553-4","DOIUrl":"10.1007/s12039-026-02553-4","url":null,"abstract":"<div><p>Molecular recognition within the crowded cellular milieu requires biomolecules to navigate complex and dynamic energy landscapes. Such a challenge is particularly acute during biogenesis of bacterial ribosomes, where the erythromycin resistance methyltransferase (Erm) modifies nascent ribosomal RNA to confer antibiotic resistance. Recently, it has been shown that the head domain of Erm binds to a helical cleft of the precursor (immature) ribosome, which allows the catalytic domain to access the target helix where the methylation substrate (adenine) is located. While Cryo-EM structures of the enzyme-substrate complex suggest an ‘anchor-and-sway’ mechanism for Erm, static reconstructions are unable to capture the stochastic dynamics that the enzyme has to undergo to locate the target site on a flexible ribosomal precursor. Here, we resolve the real-time conformational landscape of the Erm-precursor complex using variability analysis of individual single-molecule FRET (smFRET) efficiency trajectories. Our analyses reveal that the enzyme's C-terminal anchor domain is not very rigidly fixed to a transient helical cleft of the immature ribosome; rather, its motion acts as a sensor for the intrinsic ‘breathing’ dynamics of the precursor binding cleft. In contrast, the catalytic N-terminal domain vacillates between catalytically poised states and a distinct, high-entropy conformation characterised by anomalous spatial flexibility (&gt; 3 Å). Our results support a 'tethered search' model wherein the anchoring domain prevents dissociation, enabling the catalytic domain to sample the local free-energy landscape, thereby preventing kinetic trapping. This study reaffirms site-specific recognition not as a deterministic lock-and-key event, but as a dynamic search process, offering a quantitative framework to resolve the rigid-to-fluid continuum in bio-macromolecular assemblies.</p><h3>Graphical abstract</h3><p>Variability analyses of Single-molecule FRET demonstrate that Erm employs a 'tethered search' mechanism to navigate the dynamic surface of the precursor ribosome. While its C-terminal head domain anchors to a transient cleft to maintain a high local concentration, the catalytic domain retains the conformational freedom necessary to scan for the target methylation site, preventing kinetic trapping\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":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148614411","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}
引用次数: 0
A chiral route to controlling spin chirality 一种控制自旋手性的手性途径
IF 1.8 4区 化学
Journal of Chemical Sciences Pub Date : 2026-07-23 DOI: 10.1007/s12039-026-02573-0
Deepanshu Chauhan, Gopalan Rajaraman
{"title":"A chiral route to controlling spin chirality","authors":"Deepanshu Chauhan,&nbsp;Gopalan Rajaraman","doi":"10.1007/s12039-026-02573-0","DOIUrl":"10.1007/s12039-026-02573-0","url":null,"abstract":"<p>Single-molecule toroics (SMTs) hold great promise for quantum information science and multiferroics due to their magnetically silent, electric-field-controllable ground states. However, in conventional systems, opposite toroidal handedness (clockwise and anticlockwise spin vortices) degenerate, resulting in a racemic mixture that cancels out macroscopically. Recently, in <i>Nature Chemistry</i>, Tang and co-workers reported a major breakthrough by synthesising enantiopure triangular dysprosium {Dy<sub>3</sub>} complexes, in which axial chirality in the organic ligand framework lifts the toroidal degeneracy. This structural symmetry-breaking resulted in a single, homochiral toroidal spin state at both the molecular and unit-cell levels. Probed through single-crystal micro-SQUID magnetometry and magneto-chiral dichroism (MChD) spectroscopy, this work marks the first realisation of a structurally sealected homochiral toroidal ground state, laying the foundation for macroscopic, field-switchable Toroidic and Ferrotoroidic materials.</p><p>Molecular chirality breaks spin degeneracy, enabling controllable homochiral toroidal states and opening new opportunities for quantum information and magnetoelectric molecular materials.</p>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148613875","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}
引用次数: 0
Development of a selective synthetic approach to N-fluoroamide thioglycoside derivatives: Betadex complexation for enhanced solubility and antimicrobial activity evaluation n -氟酰胺巯基糖苷衍生物的选择性合成方法的发展:Betadex络合提高溶解度和抗菌活性评价
IF 1.8 4区 化学
Journal of Chemical Sciences Pub Date : 2026-07-22 DOI: 10.1007/s12039-026-02551-6
H Bouleghlem, S Zidane, A Guelil, O E Belhaddad, Z Shahin, F Ait-Merzeg
{"title":"Development of a selective synthetic approach to N-fluoroamide thioglycoside derivatives: Betadex complexation for enhanced solubility and antimicrobial activity evaluation","authors":"H Bouleghlem,&nbsp;S Zidane,&nbsp;A Guelil,&nbsp;O E Belhaddad,&nbsp;Z Shahin,&nbsp;F Ait-Merzeg","doi":"10.1007/s12039-026-02551-6","DOIUrl":"10.1007/s12039-026-02551-6","url":null,"abstract":"<div><p>Carbohydrate chemistry continues to provide versatile routes toward new bioactive compounds, yet limited solubility often restricts their broader applications. In the present study, <i>N</i>-fluoroamide thioglycoside derivatives were synthesized in a short and mild process starting from 1,3,4,6-tetra-<i>O</i>-acetyl-2-amino-2-deoxy-<i>β</i>-<i>D</i>-glucopyranose hydrochloride. The transformation employed a fluorous acylating agent in the presence of potassium carbonate and thiophenol, affording the desired products in excellent yields (82–95%) within 20 min. Since these compounds showed poor solubility in water, host–guest complexes were generated with native Betadex (<i>β</i>-Cyclodextrin) under ultrasound assistance. The resulting inclusion complexes were confirmed by <sup>1</sup>H, <sup>13</sup>C, <sup>19</sup>F NMR, FT–IR spectroscopy, and X-ray diffraction. UV–visible measurements demonstrated a marked enhancement in aqueous solubility, reaching up to a fourteen-fold increase, consistent with a 1:1 AL-type stoichiometry obtained from phase-solubility analysis. Biological assays revealed that encapsulation in <i>β</i>-CD not only improved dissolution but also strengthened antimicrobial activity. This approach highlights a practical strategy that combines rapid synthesis, supramolecular encapsulation, and enhanced bioactivity, opening new perspectives for the pharmaceutical development of fluorinated sugar derivatives.</p><h3>Graphical abstract</h3><p>A rapid ultrasound-assisted approach was successfully developed for the synthesis of <i>N</i>-fluoroamide thioglycosides under mild reaction conditions. Furthermore, complexation with <i>β</i>-cyclodextrin markedly improved the aqueous solubility of the synthesized compounds and enhanced their antimicrobial activity through the formation of stable host–guest supramolecular inclusion complexes.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148613611","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}
引用次数: 0
Hierarchical hollow-zeolites encapsulating a gold nanoparticle for cyclohexane oxidation 层状中空沸石包封金纳米颗粒用于环己烷氧化
IF 1.8 4区 化学
Journal of Chemical Sciences Pub Date : 2026-07-22 DOI: 10.1007/s12039-026-02555-2
Shilpi Saxena, Raj Ganesh S. Pala, Sri Sivakumar
{"title":"Hierarchical hollow-zeolites encapsulating a gold nanoparticle for cyclohexane oxidation","authors":"Shilpi Saxena,&nbsp;Raj Ganesh S. Pala,&nbsp;Sri Sivakumar","doi":"10.1007/s12039-026-02555-2","DOIUrl":"10.1007/s12039-026-02555-2","url":null,"abstract":"<div><p>We have demonstrated dual hollow zeolites encapsulating single gold nanoparticle. The dual hollow zeolites taken for research are ZSM-5 and MCM-22. The dual hollow zeolites comprise inner shell as ZSM-5, encapsulating single gold nanoparticles and outer shell comprises of MCM-22. Hierarchical hollow zeolites encapsulating gold nanoparticle facilitates shape selectivity, reduced poisoning/sintering/ agglomeration/leaching of metallic core catalyst by the dual hollow zeolite shells. Additionally, dual hollow zeolites also achieve hierarchical porosity, acidity and additional thermal stability. The oxidation of cyclohexane was selected for evaluation of current catalyst. The catalytic activity was compared with single shell hollow zeolites encapsulating gold nanoparticles for oxidation of cyclohexane to cyclohexanol and cyclohexanone. Higher conversion (65%) and selectivity (98%) towards K-A oil was achieved by dual shell of different hollow zeolites encapsulating single gold nanoparticles than single shell hollow zeolites encapsulating gold nanoparticles. Also, dual hollow zeolites encapsulating gold nanoparticles achieved higher conversion as well as higher selectivity towards K-A oil in comparison to earlier reports where higher selectivity could only be achieved at lower conversion, which made the process non-economical.</p><h3>Graphical abstract</h3><p>Schematic diagram for synthesis of Au@ZSM-5@MCM-22</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148613667","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}
引用次数: 0
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