The Royal Society of Chemistry最新文献_第5页

Analysis of human colostrum reveals differential co-occurrence networks of metabolites, microbiota and cytokines in maternal obesity. 人类初乳的分析揭示了代谢物、微生物群和细胞因子在母体肥胖中的差异共现网络。

IF 5.1 1区农林科学

Food & Function Pub Date : 2025-07-02 DOI: 10.1039/d4fo05637j

July S Gámez-Valdez, Karina Corona-Cervantes, Erick S Sánchez-Salguero, Mario R Alcorta-García, Claudia N López-Villaseñor, Rommel A Carballo-Castañeda, Aldo Moreno-Ulloa, Víctor J Lara-Díaz, Marion E G Brunck, Cuauhtémoc Licona-Cassani

{"title":"Analysis of human colostrum reveals differential co-occurrence networks of metabolites, microbiota and cytokines in maternal obesity.","authors":"July S Gámez-Valdez, Karina Corona-Cervantes, Erick S Sánchez-Salguero, Mario R Alcorta-García, Claudia N López-Villaseñor, Rommel A Carballo-Castañeda, Aldo Moreno-Ulloa, Víctor J Lara-Díaz, Marion E G Brunck, Cuauhtémoc Licona-Cassani","doi":"10.1039/d4fo05637j","DOIUrl":"https://doi.org/10.1039/d4fo05637j","url":null,"abstract":"Breastmilk is essential for neonatal development, particularly in seeding the gut microbiota and modulating the immune system. This proof-of-concept study explores the systemic nature of colostrum and the influence of maternal obesity on co-occurrences of colostrum bioactives. Using 16S-rRNA sequencing, untargeted metabolomics, and cytokine quantification, we analyzed co-occurring elements in the colostrum of mothers with normal weight (18.5 < BMI < 25) or obesity (BMI > 30). We identified 5 different co-occurrence networks, characterized by positive correlations of taxonomically related bacteria. Our integrative analysis reveals that Aeromonadaceae, Xanthomonadaceae and Staphylococcaceae negatively correlate with pro-inflammatory cytokines TNF-α, IL-6, and IL-12p70 in the colostrum of mothers with obesity (WO). Additionally, lipid mediators, including 15-HEDE and LysoPC (16:00), were associated with cytokines IL-10 and IL-8 and microbiota taxa Burkholderiaceae, Beijerinckiaceae and Planococcaceae - first reported in the colostrum of mothers WO. Our findings suggest a pervasive regulation of bioactives in the colostrum of mothers WO. This may have implications for distinctive neonatal intestine development.","PeriodicalId":77,"journal":{"name":"Food & Function","volume":" ","pages":""},"PeriodicalIF":5.1,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144537495","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Advances in computational approaches for bridging theory and experiments in electrocatalyst design. 电催化剂设计中桥接理论与实验计算方法的进展。

IF 8 2区材料科学

Nanoscale Horizons Pub Date : 2025-07-02 DOI: 10.1039/d5nh00216h

Yaqin Zhang, Yu Xiong, Yuhang Wang, Qianqian Wang, Jun Fan

{"title":"Advances in computational approaches for bridging theory and experiments in electrocatalyst design.","authors":"Yaqin Zhang, Yu Xiong, Yuhang Wang, Qianqian Wang, Jun Fan","doi":"10.1039/d5nh00216h","DOIUrl":"https://doi.org/10.1039/d5nh00216h","url":null,"abstract":"The activation of inert molecules such as CO2, N2, and O2 is central to addressing global energy and environmental challenges via electrocatalysis. However, their intrinsic stability and the complex solid-liquid interfacial phenomena present formidable obstacles for catalyst design. Recent advances in computational approaches are beginning to bridge the longstanding gap between idealized theoretical models and experimental realities. In this review, we highlight the progress made in scaling relations and descriptor-based screening methods, which underpin the Sabatier principle and volcano plot frameworks, enabling rapid identification of promising catalytic materials. We further discuss the evolution of thermodynamic and kinetic models-including the computational hydrogen electrode model, constant electrode potential model, and ab initio thermodynamics-that allow for accurate predictions of reaction energetics and catalyst stability under realistic operating conditions. Moreover, the advent of constant potential simulations and explicit solvation models, bolstered by ab initio molecular dynamics and machine learning-accelerated molecular dynamics, has significantly advanced our understanding of the dynamic electrochemical interface. High-throughput computational workflows and data-driven machine learning techniques have further streamlined catalyst discovery by efficiently exploring large material spaces and complex reaction pathways. Together, these computational advances not only provide mechanistic insights into inert molecule activation but also offer a robust platform for guiding experimental efforts. The review concludes with a discussion of remaining challenges and future opportunities to further integrate computational and experimental methodologies for the rational design of next-generation electrocatalysts.","PeriodicalId":93,"journal":{"name":"Nanoscale Horizons","volume":" ","pages":""},"PeriodicalIF":8.0,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144537469","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nanocage-based {SnEr2}-organic framework for high catalytic performance in cycloaddition of CO2 with epoxides and Knoevenagel condensation† 纳米基{SnEr2}有机骨架在CO2与环氧化物环加成和Knoevenagel缩合中的高催化性能

IF 3.9 3区化学

RSC Advances Pub Date : 2025-07-02 DOI: 10.1039/D5RA02661J

Xu Wang, BinBin Fan, Jing Chen, Jing Du and Dahai Pan

{"title":"Nanocage-based {SnEr2}-organic framework for high catalytic performance in cycloaddition of CO2 with epoxides and Knoevenagel condensation†","authors":"Xu Wang, BinBin Fan, Jing Chen, Jing Du and Dahai Pan","doi":"10.1039/D5RA02661J","DOIUrl":"https://doi.org/10.1039/D5RA02661J","url":null,"abstract":"The integration of abundant active sites and robust chemical stability in metal–organic frameworks (MOFs) is pivotal for advancing their industrial-scale utilization. This study proposes a novel strategy to construct cluster-based heterometallic MOFs by incorporating rare-earth ions. Through a solvothermal synthesis approach, we successfully engineered {[SnEr2(HBDCP)(H2O)]n·3DFM·5H2O}n (TYUT-13), a three-dimensional framework integrating Sn2+ (stannous(II) ions), Er3+ (erbium(III) ions) and designed flexible tetracarboxylic acid of 2,6-bis(2,4-dicarboxylphenyl)-4-(4-carboxylphenyl)pyridine (H5BDCP). This architecture features a unique pore environment characterized by high porosity and dual-functional active sites (Lewis acidic Sn/Er centers and basic pyridinic N atoms), which synergistically enhance catalytic performance. Experimental results demonstrate that TYUT-13a exhibits exceptional activity in the solvent-free cycloaddition of CO2 to epoxides under mild conditions (65 °C, 1 atm CO2, 4 h), achieving >98% conversion efficiency. Furthermore, it displays broad applicability in Knoevenagel condensations between phenoxyacetaldehyde and malononitrile, with yields exceeding 97%. These findings highlight the effectiveness of rare-earth ion hybridization in balancing structural integrity and catalytic multifunctionality, offering a blueprint for designing next-generation MOF catalysts for sustainable chemical processes.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 27","pages":" 21914-21921"},"PeriodicalIF":3.9,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02661j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144524456","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

A simple colorimetric sensor based on a new deep eutectic solvent for the detection of chromium† 基于新型深共晶溶剂的简单比色传感器用于检测铬†

IF 3.9 3区化学

RSC Advances Pub Date : 2025-07-02 DOI: 10.1039/D5RA02492G

Thanaporn Seesuan, Nutthaya Butwong, Supalax Srijaranai and Siriboon Mukdasai

{"title":"A simple colorimetric sensor based on a new deep eutectic solvent for the detection of chromium†","authors":"Thanaporn Seesuan, Nutthaya Butwong, Supalax Srijaranai and Siriboon Mukdasai","doi":"10.1039/D5RA02492G","DOIUrl":"https://doi.org/10.1039/D5RA02492G","url":null,"abstract":"A selective and sensitive method was developed for the detection of Cr6+. This method was based on a combination of colorimetry and liquid–liquid extraction using a new deep eutectic solvent (DES). A DES/EDTA (ethylenediaminetetraacetic acid) colorimetric probe was prepared using tetrabutylammonium bromide (TBABr) as a hydrogen-bond acceptor, ascorbic acid (AA) as a hydrogen-bond donor, and EDTA as a chelating agent. Following the reduction of Cr6+ to Cr3+ by AA present in the DES/EDTA probe, a purple complex was formed with EDTA, which was immediately extracted into the DES phase. The enriched complex was subsequently quantified by performing absorbance measurements at 550 nm using an ultraviolet-visible spectrophotometer and a smartphone equipped with ImageJ software to detect the color intensity. Under the optimized conditions, the limit of detection was determined to be 0.056 μM (2.08 μg L−1) and the linear range was 0.5–100 μM with a correlation coefficient of 0.9962. In addition, the intra- and inter-day relative standard deviations were <6%. Notably, this simple and affordable colorimetric sensor was successfully employed in the detection of chromium in water and soil samples with satisfactory outcomes. The developed approach could therefore be highly useful for the determination of chromium in other environmental and biological samples.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 28","pages":" 22641-22648"},"PeriodicalIF":3.9,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02492g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144524469","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

Improvement of N-benzoylation catalysis driven by an amyloid-substrate complex. 淀粉样蛋白-底物复合物驱动n -苯甲酰化催化的改进。

IF 2.9 3区化学

Organic & Biomolecular Chemistry Pub Date : 2025-07-02 DOI: 10.1039/d5ob00593k

Kai Yamamoto, Taka Sawazaki, Youhei Sohma

引用次数: 0

Recent advances in small-molecule fluorescent probes bearing a triaminoguanidinium unit and their sensing, bio-imaging and multifunctional applications. 三胺胍小分子荧光探针及其传感、生物成像和多功能应用研究进展。

IF 2.7 3区化学

Analytical Methods Pub Date : 2025-07-02 DOI: 10.1039/d5ay00771b

Balamurugan Tharmalingam

{"title":"Recent advances in small-molecule fluorescent probes bearing a triaminoguanidinium unit and their sensing, bio-imaging and multifunctional applications.","authors":"Balamurugan Tharmalingam","doi":"10.1039/d5ay00771b","DOIUrl":"https://doi.org/10.1039/d5ay00771b","url":null,"abstract":"Since their discovery, triaminoguanidinium-salicylidene-based Schiff bases have emerged as a significant class of compounds known for their solvent-dependent fluorescence emission, which varies depending on the substituents in their aromatic frameworks. These compounds are easy to synthesize, stable, cost-effective, and highly suitable for diverse applications, including chemosensing, biological studies, and multifunctional uses. This comprehensive review summarizes recent advancements in AIE-active triaminoguanidinium-salicylidene-based threefold symmetric Schiff molecules, particularly their role as chemosensors for detecting various analytes. It explores different chemosensing strategies for identifying metal ions (Zn2+, Cd2+, Cu2+, Fe3+, and Co2+) and anions (EDTA, I- PPi-, and S2-), focusing on the progress of triaminoguanidinium-salicylidene-based threefold symmetric Schiff bases over the past five years, particularly their systems for supramolecular host-guest interactions, AIEgen-ESIPT activity, COFs, bioimaging, etc. We hope this review provides a comprehensive overview of the current research landscape and encourages further exploration of novel triaminoguanidinium-salicylidene-based threefold symmetric Schiff base compounds with expanded applications.","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144537484","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

Effects of iron oxide-modified hierarchically porous 4A zeolites on flame retardancy of ammonium polyphosphate-treated wood composites 氧化铁改性分级多孔4A沸石对聚磷酸铵处理木材复合材料阻燃性能的影响

IF 3.9 3区化学

RSC Advances Pub Date : 2025-07-02 DOI: 10.1039/D5RA03148F

Shaodi Zhang, Mingzhi Wang, Yuxiang Huang, Yahui Zhang and Wenji Yu

{"title":"Effects of iron oxide-modified hierarchically porous 4A zeolites on flame retardancy of ammonium polyphosphate-treated wood composites","authors":"Shaodi Zhang, Mingzhi Wang, Yuxiang Huang, Yahui Zhang and Wenji Yu","doi":"10.1039/D5RA03148F","DOIUrl":"https://doi.org/10.1039/D5RA03148F","url":null,"abstract":"The combination of inorganic porous nanomaterials with metal oxides has shown great prospects as flame retardants or flame-retardant synergists in wood composites. In this work, iron oxide-modified hierarchically porous 4A (FeH4A) zeolites were prepared and applied as synergists of ammonium polyphosphate (APP) for flame retardant treatment of wood composites. The effects of FeH4A zeolites with various degrees of modification (0.5FeH4A, 1FeH4A, 5FeH4A, and 10FeH4A) on flame retardancy of wood composites were investigated. With proper modification, the 0.5FeH4A zeolite favored the decomposition process of APP at low temperatures, leading to better flame retardancy. The peak heat release rate (HRR) and total heat release (THR) of W-APP-0.5 FeH4A were decreased by 15.8% and 16.7%, respectively, compared with those of W-APP-H4A. However, severe modification results in damage of the zeolite framework. This change along with the excess iron oxide weaken the thermal stability of the char residue, which negatively affects flame retardancy. Further investigation of the pyrolysis products and morphologies of the char residue indicates that the FeH4A zeolites play a role in both gaseous and condensed phase flame-retardant mechanisms. This study provides information for the development of novel flame retardants and effective synergists for wood composites.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 28","pages":" 22565-22575"},"PeriodicalIF":3.9,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra03148f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144524465","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

Terrestrial hermit crab with electronic payloads for opportunistic roaming environmental sensing† 陆地寄居蟹与电子有效载荷的机会漫游环境传感†

IF 3.9 3区化学

RSC Advances Pub Date : 2025-07-02 DOI: 10.1039/D5RA03509K

Brian Minsoo Lee, Holden King Ho Li, Ahjeong Son and Beelee Chua

{"title":"Terrestrial hermit crab with electronic payloads for opportunistic roaming environmental sensing†","authors":"Brian Minsoo Lee, Holden King Ho Li, Ahjeong Son and Beelee Chua","doi":"10.1039/D5RA03509K","DOIUrl":"https://doi.org/10.1039/D5RA03509K","url":null,"abstract":"We demonstrated the free roaming of a terrestrial hermit crab (Coenobita spp.) with a detachable harness accompanied by different payloads of sensors and electronics. The payloads tested are as follows: (i) an LED circuit with a switch, (ii) a solar-powered temperature and relative humidity sensor with wireless live data transmission, and (iii) a salt water sensing module for salt water detection. The acquired migratory data demonstrated that the hermit crab was able to map out the boundary between salt water and dry land in an arena, suggesting its applicability in monitoring coastal salt water ingress. Unlike conventional animal tagging, the harness conforms to the turbinate pattern of shells via twisting motion, and the hermit crab can jettison the harness and payload at will by changing shells. This study explores the possibility of having hermit crabs as partners to pick up and randomly deploy sensors for opportunistic data acquisition without human intervention. They could function as a self-sustained roaming platform for detachable electronics.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 28","pages":" 22716-22729"},"PeriodicalIF":3.9,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra03509k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144536761","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

Rust and Redemption: Iron-Sulfur Clusters and Oxygen in Human Disease and Health. 铁锈与救赎：人类疾病与健康中的铁-硫簇和氧。

IF 2.9 3区生物学

Metallomics Pub Date : 2025-07-02 DOI: 10.1093/mtomcs/mfaf022

Shany Egozi, Tslil Ast

引用次数: 0

Production of subtilosin A in E. coli: insights into the head-to-tail macrocyclization. 大肠杆菌中subtilosin A的产生：对首尾大环化的洞察。

IF 2.9 3区化学

Organic & Biomolecular Chemistry Pub Date : 2025-07-02 DOI: 10.1039/d4ob01816h

Yifei Jia, Yuanjun Han, Wenning Wang, Qi Zhang

引用次数: 0