The Royal Society of Chemistry最新文献_第3页

Retraction: Heteroatoms (Si, B, N, and P) doped 2D monolayer MoS2 for NH3 gas detection

IF 3.9 3区化学

RSC Advances Pub Date : 2025-04-04 DOI: 10.1039/D5RA90040A

Terkumbur E. Gber, Hitler Louis, Aniekan E. Owen, Benjamin E. Etinwa, Innocent Benjamin, Fredrick C. Asogwa, Muyiwa M. Orosun and Ededet A. Eno

引用次数: 0

A novel boronic acid-based fluorescent sensor for the selective detection of l-lysine in food samples and cells†

IF 3.9 3区化学

RSC Advances Pub Date : 2025-04-04 DOI: 10.1039/D5RA00621J

Wei Gao, Jing Su, Huarui Yang, Xuefeng Zhao, Jingjing Liu, Zhijun Wang and Qingming Wang

引用次数: 0

In situ monitoring of barrier function on-chip via automated, non-invasive luminescence sensing.

IF 6.1 2区工程技术

Lab on a Chip Pub Date : 2025-04-04 DOI: 10.1039/d4lc01090f

Bryan G Schellberg, Abigail N Koppes, Ryan A Koppes

引用次数: 0

Atomic-scale insights into mechanical properties of calcium silicate hydrates: role of hydrogen bond networks and bond order distributions†

IF 3.9 3区化学

RSC Advances Pub Date : 2025-04-04 DOI: 10.1039/D5RA01607J

Neng Li, Deyong Zhou, Jieshuo Wan, Zhongyong Zhang, Fujie Jia, Jiayuan Ye, Xiao Zhi and Wei Chen

{"title":"Atomic-scale insights into mechanical properties of calcium silicate hydrates: role of hydrogen bond networks and bond order distributions†","authors":"Neng Li, Deyong Zhou, Jieshuo Wan, Zhongyong Zhang, Fujie Jia, Jiayuan Ye, Xiao Zhi and Wei Chen","doi":"10.1039/D5RA01607J","DOIUrl":"https://doi.org/10.1039/D5RA01607J","url":null,"abstract":"Calcium silicate hydrate (CSH) serves a critical role in maintaining the structural integrity of buildings. However, the relationships between its mechanical properties and crystal structures remain unclear. In this study, density functional theory (DFT) was used to systematically analyze the mechanical properties of 33 CSH phases. The findings demonstrate a linear correlation between elastic modulus and crystal density. In addition, the partial bond order (PBO) of Ca–O bonds significantly affects the crystal density. This effect, together with the water content, determines the mechanical properties of CSH. Notably, the unique cage-like hydrogen bond network present in kenotobermorite-4O markedly enhances the interlayer cohesion, giving it superior mechanical properties to those of conventional CSH. Additionally, the study elucidates the anisotropic characteristics of CSH materials, revealing that mechanical anisotropy is strongly correlated with the enhancement of PBO(Ca–O). These findings offer a theoretical framework for comprehending the mechanical behavior of CSH and establishing essential connections between its microstructure and mechanical properties.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 13","pages":" 10365-10377"},"PeriodicalIF":3.9,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01607j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Comprehensive assessment of 3-benzyloxyflavones as β-glucosidase inhibitors: in vitro, in vivo, kinetic, SAR and computational studies†

IF 3.9 3区化学

RSC Advances Pub Date : 2025-04-04 DOI: 10.1039/D4RA08558B

Nafeesa Naeem and Ehsan Ullah Mughal

{"title":"Comprehensive assessment of 3-benzyloxyflavones as β-glucosidase inhibitors: in vitro, in vivo, kinetic, SAR and computational studies†","authors":"Nafeesa Naeem and Ehsan Ullah Mughal","doi":"10.1039/D4RA08558B","DOIUrl":"https://doi.org/10.1039/D4RA08558B","url":null,"abstract":"In this study, a series of 3-benzyloxyflavone derivatives (1–10) was designed and, for the first time, evaluated for both in vitro and in vivo inhibitory activity against the β-glucosidase enzyme. The enzyme inhibitory potential of these derivatives was further assessed in an antihyperglycemic context using in vivo mechanism-based assays on p-nitrophenyl-β-D-glucopyranoside (PGLT) induced diabetic models. Additionally, structure–activity relationship (SAR) was employed to identify structural features crucial for activity. Molecular docking analyses revealed that both the potent compounds and co-crystallized ligands shared similar binding orientations within the active sites of β-glucosidase (PDB IDs: 3AJ7; 66K1). Molecular dynamics (MD) simulations validated the stability of the inhibitor–enzyme complexes under physiological conditions, while density functional theory (DFT) calculations helped elucidate electronic properties critical for activity. Drug-likeness analysis was also conducted to assess the pharmacokinetic potential of the derivatives. The results highlighted several derivatives with significant inhibitory activity, desirable pharmacokinetic profiles, and promising drug-like properties, making them potential candidates for therapeutic development. The target derivatives (1–10) demonstrated strong potential as lead compounds for developing new anti-diabetic agents with effective anti-hyperglycemic properties.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 14","pages":" 10484-10500"},"PeriodicalIF":3.9,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08558b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769613","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Bio-based cellulose benzenesulfonic acid-catalyzed dehydration of fructose to 5-hydroxymethylfurfural†

IF 3.9 3区化学

RSC Advances Pub Date : 2025-04-04 DOI: 10.1039/D4RA08540J

Aniwat Pengsawang, Atthapon Srifa and Vorranutch Itthibenchapong

{"title":"Bio-based cellulose benzenesulfonic acid-catalyzed dehydration of fructose to 5-hydroxymethylfurfural†","authors":"Aniwat Pengsawang, Atthapon Srifa and Vorranutch Itthibenchapong","doi":"10.1039/D4RA08540J","DOIUrl":"https://doi.org/10.1039/D4RA08540J","url":null,"abstract":"In this work, cellulose benzenesulfonic acid (CBSA) was successfully prepared by chemically modifying cellulose with a 4-chlorobenzenesulfonic acid reagent in toluene, providing mainly Brønsted acid sites, as determined by pyridine-DRIFT, for use as a potential solid acid catalyst. The as-prepared CBSA was characterized by various techniques, and its catalytic performance for the conversion of fructose to 5-HMF was examined in dimethyl sulfoxide. In particular, the effects of reaction temperature and reaction time on its activity were investigated. The results showed that CBSA with a 10 wt% loading exhibited the highest catalytic activity, achieving a fructose conversion of 100% and a 5-HMF yield of approximately 85% when a reaction temperature of 140 °C and a reaction time of 180 min were employed. The reusability of CBSA was moderately satisfactory. A 5-HMF yield of 55% and a fructose conversion of 97% were obtained after a total of 4 runs (3 reuse cycles). According to the XPS results of the spent catalyst, the decrease in catalytic performance was mainly due to the insufficiency or loss of the –SO3H group as the active site for the catalytic dehydration of fructose. These findings could be beneficial for advancing heterogeneous catalysis in saccharide valorization and the development of bio-based solid Brønsted acid catalysts.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 14","pages":" 10511-10521"},"PeriodicalIF":3.9,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08540j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769615","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Revealing the flame retardancy of cotton fabrics treated with ammonium ethylenediamine tetramethylenephosphonate and trimethylol melamine†

IF 3.9 3区化学

RSC Advances Pub Date : 2025-04-04 DOI: 10.1039/D5RA00402K

Yong-Man Jang, Chol-Jin Kim, Ju-Yong Kim, Dae-Hyok Mun and Chol-Jun Yu

{"title":"Revealing the flame retardancy of cotton fabrics treated with ammonium ethylenediamine tetramethylenephosphonate and trimethylol melamine†","authors":"Yong-Man Jang, Chol-Jin Kim, Ju-Yong Kim, Dae-Hyok Mun and Chol-Jun Yu","doi":"10.1039/D5RA00402K","DOIUrl":"https://doi.org/10.1039/D5RA00402K","url":null,"abstract":"Phosphorus-nitrogen containing polymers have been attracting considerable interest as potential flame retardants (FR) for cotton fabrics. In this work, we report an experimental-theoretical joint study on flame retardancy of cotton fibres treated with ammonium ethylenediamine tetramethylenephosphonate (AEDTMP) as FR and trimethylol melamine (TMM) as binder. Through material characterization and FR test, we find that the cotton fabric samples treated with 5% AEDTMP and 5% TMM solutions exhibit better flame retardancy and durability than those with 25% AEDTMP solution by forming multilayer coatings on the fabrics. Our calculations within the density functional theory framework reveal that the P–O–C and C–O–C bonds are newly formed by reactions between the AEDTMP FR and TMM binder, and the multilayer coating enhances such binding reactions. Our work highlights that the multilayer coating with AEDTMP of lower density is superior for flame retardancy and durability of treated cotton.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 14","pages":" 10522-10531"},"PeriodicalIF":3.9,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00402k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

New axially chiral biaryl quinoline ligands specifically partnered with AgOTf enabled an enantioselective aza-Friedel-Crafts reaction.

IF 2.9 3区化学

Organic & Biomolecular Chemistry Pub Date : 2025-04-04 DOI: 10.1039/d5ob00231a

Su-Fan Gao, Xiao Fu, Qian-Mao Zhang, Ren-Zhi Tang, Wen-Juan Wan, Li-Xin Wang

引用次数: 0

A facile method to fabricate syndiotactic polystyrene aerogels by freeze-drying.

IF 2.9 3区化学

Soft Matter Pub Date : 2025-04-04 DOI: 10.1039/d5sm00090d

Tongtong Zhang, Shuo Wang, Hongyu Liu, Xiaolong Yang, Fangming Zhu

{"title":"A facile method to fabricate syndiotactic polystyrene aerogels by freeze-drying.","authors":"Tongtong Zhang, Shuo Wang, Hongyu Liu, Xiaolong Yang, Fangming Zhu","doi":"10.1039/d5sm00090d","DOIUrl":"https://doi.org/10.1039/d5sm00090d","url":null,"abstract":"A facile method has been developed to produce syndiotactic polystyrene (sPS) aerogels by only three steps of polymer dissolution, gel aging and freeze-drying without any solvent exchange, unlike typical methods for sPS aerogel preparation. Due to the high melting point of p-xylene (around 13 °C), p-xylene-based sPS gels are unexpectedly robust in allowing the formation of aerogels by direct p-xylene removal through sublimation, leading to a more efficient synthesis and better quality of aerogels with much stronger mechanical properties. Furthermore, without the interference of solvent exchange, it is more suitable to explore the influence of key parameters (sPS content and molecular weight in precursor gels) on the preparation of sPS aerogels. The content and molecular weight of sPS will affect the crystallinity and porosity of the sPS aerogels, which can further control the microstructure, mechanical properties, dielectric constant, and adsorption performance of the materials. The obtained low density sPS aerogels with 98.9% porosity exhibited a minimum dielectric constant of 1.02 at low frequencies and high adsorption capacity towards different organic solvents and common oil.","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778593","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Bromate removal in water through electrochemical reduction using Magnéli phase titanium oxide electrode†

IF 3.9 3区化学

RSC Advances Pub Date : 2025-04-04 DOI: 10.1039/D5RA01013F

Lun Guo, David E. Williams, Lev Bromberg and Lokesh P. Padhye

{"title":"Bromate removal in water through electrochemical reduction using Magnéli phase titanium oxide electrode†","authors":"Lun Guo, David E. Williams, Lev Bromberg and Lokesh P. Padhye","doi":"10.1039/D5RA01013F","DOIUrl":"https://doi.org/10.1039/D5RA01013F","url":null,"abstract":"This study demonstrates the effective electrochemical degradation of bromate, achieving over 95% removal, using both sheet electrodes and reactive membranes fabricated from Magnéli phase titanium oxide (TinO2n−1, n = 4–10). Increasing the applied voltage and electrolyte concentration, as well as decreasing the pH, significantly enhanced bromate reduction efficiency. Experimental results suggest that both direct and indirect pathways contribute to the overall degradation process. The impact of coexisting ions was also evaluated. At 1 mM, their inhibitory effect was negligible, whereas, at 10 mM, the inhibition became pronounced in the order SO42− > CO32− > Cl− ≈ NO3− ≈ NO2− > ClO4−. When applied to secondary effluent wastewater, this electrochemical approach achieved 70% degradation of bromate within six hours. Moreover, the Magnéli phase titanium oxide electrodes exhibited excellent stability and reusability, highlighting their potential for real-world water and wastewater treatment applications.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 14","pages":" 10501-10510"},"PeriodicalIF":3.9,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01013f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0