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

Modulating loop flexibility reversibly switches DNA nanocage assembly.

IF 5.2 3区材料科学

Nanoscale Pub Date : 2026-10-20 DOI: 10.1039/d6nr03158g

Xiao Rong, Mengzhou Wei, Yulin Li

引用次数: 0

Modulating the synergistic role of device engineering in advancing lead-free perovskite solar cells. 调节器件工程在推进无铅钙钛矿太阳能电池中的协同作用。

IF 3.3 3区化学

Dalton Transactions Pub Date : 2026-10-20 DOI: 10.1039/d6dt01869f

Eman Zafar, Hamza Ali, Muhammad Abdullah Shah, Muhammad Mubeen Mudassar, Hafiz Muhammad Shrafat, Muhammad Umar Salman, Shahid M Ramay, Muhammad Asim, Shahid Atiq

{"title":"Modulating the synergistic role of device engineering in advancing lead-free perovskite solar cells.","authors":"Eman Zafar, Hamza Ali, Muhammad Abdullah Shah, Muhammad Mubeen Mudassar, Hafiz Muhammad Shrafat, Muhammad Umar Salman, Shahid M Ramay, Muhammad Asim, Shahid Atiq","doi":"10.1039/d6dt01869f","DOIUrl":"10.1039/d6dt01869f","url":null,"abstract":"In this study, a one-dimensional (1D) numerical simulation framework based on COMSOL Multiphysics was employed to investigate and optimize the structural design of a lead-free PSC. To optimize the device performance, the thickness of the ETL, absorber layer, and HTL was systematically varied, and its influence on the PV characteristics was investigated under standard operating conditions. Furthermore, the effects of operating temperature, donor concentration, and acceptor concentration on the electrical and PV behavior of the PSC were comprehensively examined. The simulation results demonstrated that the device performance was strongly influenced by both structural and material parameters. The highest PCE of approximately 19.565%, together with a Pmax value of 195.650 W m-2 and a Jsc value of 29.39 mA cm-2, was achieved at an operating temperature of 285 K when the device temperature was varied between 285 K and 325 K. In addition, the maximum FF of 88.343% and a Voc value of 1.012 V were obtained for a 50 nm-thick CsSnI3 absorber layer. These findings highlight the critical role of optimizing layer thicknesses and operating conditions in augmenting the PV performance of lead-free PSCs. Overall, the present simulation offers valuable insights into the design and optimization of environmentally benign, low-cost, and lead-free PSCs. The optimized Mg-ZnO/CsSnI3/GO device architecture demonstrates considerable potential for achieving high PV performance while addressing the toxicity concerns associated with lead-based perovskite materials.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":" ","pages":"14507-14520"},"PeriodicalIF":3.3,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149101033","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

Rhodium(III)-catalyzed synthesis of [1,3]oxazino[3,4-a]indol-1-imine via in situ installed carbamide-directed oxidative inter- and intramolecular diannulation reaction of phenyl isocyanates with 1,3-diynes.

IF 4.3 2区化学

Chemical Communications Pub Date : 2026-10-20 DOI: 10.1039/d6cc03492f

Mohit Chourasiya, Shubhi Sachan, Ruchir Kant, Narender Tadigoppula

引用次数: 0

Photoredox-catalyzed dehalogenation of aryl halides in an aerated supramolecular hydrogel enabled by triplet-triplet annihilation upconversion.

IF 3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2026-10-20 DOI: 10.1039/d6cp03415b

Paola Domínguez Domínguez, Sebastián Bonardd, Jorge C Herrera-Luna, M Consuelo Jiménez, Raúl Pérez-Ruiz, David Díaz Díaz

{"title":"Photoredox-catalyzed dehalogenation of aryl halides in an aerated supramolecular hydrogel enabled by triplet-triplet annihilation upconversion.","authors":"Paola Domínguez Domínguez, Sebastián Bonardd, Jorge C Herrera-Luna, M Consuelo Jiménez, Raúl Pérez-Ruiz, David Díaz Díaz","doi":"10.1039/d6cp03415b","DOIUrl":"https://doi.org/10.1039/d6cp03415b","url":null,"abstract":"Triplet-triplet annihilation upconversion (TTA-UC) is a powerful strategy to access high-energy excited states under low-energy irradiation, yet its practical implementation simultaneously in aqueous and aerobic environments remains severely limited by dye insolubility and oxygen quenching. By integrating a sensitizer-emitter pair within a surfactant-assisted hydrogel matrix, TTA-UC emission is sustained in an EtOH/H2O (1 : 1 v/v) medium under ambient air, consistent with our previous photophysical characterization of this hydrogel platform. This work expands the applicability of intragel TTA-UC systems to the photoreduction of aryl and heteroaryl halides in aqueous media under aerobic conditions. Systematic optimization of key parameters, including base identity, surfactant concentration, gelator content, and irradiation protocol, affords reaction yields approaching 50% in aerated EtOH/H2O mixtures without prior deoxygenation. The results are consistent with the previously reported oxygen-tolerant behaviour of this hydrogel platform and further demonstrate that the system can be used as a reaction medium for aerobic photodehalogenation. Overall, this work establishes supramolecular hydrogels as soft photochemical reactors for oxygen-tolerant photocatalysis and expands the scope of TTA-UC-assisted photochemistry in predominantly aqueous media under aerobic conditions.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149226702","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

Nanostructured materials and hybrid architectures for electrochemical sensing of nilutamide and flutamide: detection mechanisms, analytical performance, challenges, and future perspectives.

IF 3 3区化学

Analytical Methods Pub Date : 2026-10-20 DOI: 10.1039/d6ay01789d

Khursheed Ahmad, Chellakannu Rajkumar, Tae Hwan Oh

{"title":"Nanostructured materials and hybrid architectures for electrochemical sensing of nilutamide and flutamide: detection mechanisms, analytical performance, challenges, and future perspectives.","authors":"Khursheed Ahmad, Chellakannu Rajkumar, Tae Hwan Oh","doi":"10.1039/d6ay01789d","DOIUrl":"https://doi.org/10.1039/d6ay01789d","url":null,"abstract":"Nilutamide (NLM) and flutamide (FLU) are important non-steroidal antiandrogen drugs widely used in the treatment of prostate cancer. The determination of NLM and FLU in biological, environmental, and pharmaceutical samples is of great significance for therapeutic monitoring and assessment of potential contamination. Electrochemical sensing has emerged as an attractive analytical approach because of its cost-effectiveness and simplicity. This review critically evaluated the recent advances in sensing materials for construction of electrochemical sensors for NLM and FLU quantification. Nanostructured materials such as transition-metal oxides, metal sulfides, metal-organic frameworks, carbon nanotubes, graphene derivatives, MXenes, polymers, layered double hydroxides, and hybrid composites have been reviewed for NLM and FLU detection. The influence of electrode materials, surface structure, catalytic activity, conductivity, and interfacial interactions on the electroanalytical response has been discussed in relation to the underlying oxidation and reduction mechanisms of NLM and FLU. The analytical performance of the recently reported electrochemical NLM and FLU sensors has been discussed in terms of selectivity, sensitivity, detection limit, stability, reproducibility and recoveries in spiked samples. Finally, challenges, limitations, and future directions are discussed, including improved interface design, mechanistic understanding, standardized testing, and portable sensing systems for efficient NLM and FLU detection.","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149226740","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

Advances in RuO₂-based heterostructures as high-performance electrocatalysts toward electrochemical water splitting.

IF 4.3 2区化学

Chemical Communications Pub Date : 2026-10-20 DOI: 10.1039/d6cc05645h

Jinhua Huang, Junjun Zhang, Mengyuan Zhang, Jie Yuan, Yizhu Lei, Pengfei Zhang

{"title":"Advances in RuO2-based heterostructures as high-performance electrocatalysts toward electrochemical water splitting.","authors":"Jinhua Huang, Junjun Zhang, Mengyuan Zhang, Jie Yuan, Yizhu Lei, Pengfei Zhang","doi":"10.1039/d6cc05645h","DOIUrl":"https://doi.org/10.1039/d6cc05645h","url":null,"abstract":"The global pursuit of carbon neutrality has deepened people's understanding of green hydrogen, thereby accelerating the growing demand for this clean energy carrier. Among the existing production strategies, water electrolysis remains the only commercially viable way to produce zero-carbon-emission green hydrogen. Ru-based materials, especially ruthenium oxide (RuO2), exhibit great potential in the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) of water electrolysis due to their high intrinsic activity and comparative cost advantages. However, RuO2 is prone to oxidative dissolution during water electrolysis, leading to structural instability and activity decay. This stability issue has become a key bottleneck restricting its practical application. Constructing heterojunction catalysts provides a feasible path to surpass the performance limitations of single-component materials. By forming interfacial coupling between RuO2 and functional materials, including metals, metal oxides, and nonmetallic compounds, the adsorption energy of reaction intermediates is optimized, thereby enhancing catalytic activity while inhibiting the dissolution of active components and improving structural stability. This review provides a systematic overview of recent advances in RuO2-based heterojunction electrocatalysts for water electrolysis across both acidic and alkaline environments. This review specifically elucidates the design and synthesis strategies and discusses the related mechanisms for performance improvement. Furthermore, this review analyzes the remaining challenges in the synergistic tuning of the activity and stability of RuO2-based heterojunction catalysts and outlines prospective research directions to address these gaps.","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149226687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 biopolymer modified Pd nanocomposite for CO gas-free carbonylation reactions and in silico profiling of synthesized molecules.

IF 2.8 3区化学

Organic & Biomolecular Chemistry Pub Date : 2026-10-20 DOI: 10.1039/d6ob01120a

Masira I Chamanmalik, Suma C Bharadhwaj, Shivabasayya V Salimath, Prajyot D Kumbhar, Siddappa A Patil

{"title":"A biopolymer modified Pd nanocomposite for CO gas-free carbonylation reactions and in silico profiling of synthesized molecules.","authors":"Masira I Chamanmalik, Suma C Bharadhwaj, Shivabasayya V Salimath, Prajyot D Kumbhar, Siddappa A Patil","doi":"10.1039/d6ob01120a","DOIUrl":"https://doi.org/10.1039/d6ob01120a","url":null,"abstract":"The utilization of a CO-gas-free carbonylation approach using palladium-based nanocomposites provides a green avenue for the synthesis of value-added chemicals. In this article, palladium nanoparticles were impregnated on a biopolymer chitosan-modified Mg-Al layered double hydroxide (MgAl-LDH@CS) to develop a stable and sustainable MgAl-LDH@CS@Pd nanocomposite. The comprehensive physicochemical analyses confirmed a Pd loading of 8.26 wt/wt%, as determined by ICP-OES, with a uniform dispersion of palladium nanoparticles on the chitosan-modified MgAl-LDH support, thereby imparting enhanced structural robustness to the nanocomposite. The MgAl-LDH@CS@Pd nanocomposite demonstrates exceptional catalytic performance for CO-gas-free and ligand-free carbonylation, enabling both alkoxy- and aminocarbonylation reactions with a greener CO surrogate and achieving higher conversions and yields. The prominent efficiency of the nanocomposite could be attributed to its structural integrity, which additionally enabled a broad range of substrate studies with excellent tolerance for different functional groups. It was noted that the MgAl-LDH@CS@Pd nanocomposite was recycled for up to five successive cycles, confirming its durability and feasibility, offering a viable opportunity for a CO-gas-free carbonylation reaction. Furthermore, the synthesized molecules were screened for ADMET profiles, wherein compounds 4b, 6h, 6i, 6j, 7a, and 7b exhibited favourable pharmacokinetic and drug-like characteristics. Moreover, the screened molecules were further evaluated for in silico molecular docking with (1JNX and 2XAO) target protein receptors to determine their binding efficacy and subjected to TD-DFT studies to gain molecular insights.","PeriodicalId":96,"journal":{"name":"Organic & Biomolecular Chemistry","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149226712","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

Accelerating electron transfer of NiFe-LDH via Cr-triggered electronic modulation toward a robust OER. 通过cr触发的电子调制加速NiFe-LDH的电子转移。

IF 3.3 3区化学

Dalton Transactions Pub Date : 2026-10-20 DOI: 10.1039/d6dt02110g

Duanduan Liu, Qinhua Pan, Zhongli Wu, Shuo Gao, Zhaojia He, Jiayi Wan, Changyun Chen, Zhiliang Jin, Shicheng Yan

{"title":"Accelerating electron transfer of NiFe-LDH via Cr-triggered electronic modulation toward a robust OER.","authors":"Duanduan Liu, Qinhua Pan, Zhongli Wu, Shuo Gao, Zhaojia He, Jiayi Wan, Changyun Chen, Zhiliang Jin, Shicheng Yan","doi":"10.1039/d6dt02110g","DOIUrl":"10.1039/d6dt02110g","url":null,"abstract":"The oxygen evolution reaction (OER) is a critical half-reaction in electrochemical energy conversion technology; however, its slow kinetic process limits energy conversion efficiency. Nickel iron layered double hydroxides (NiFe-LDHs) are promising OER electrocatalysts, which face challenges such as insufficient active centers and poor electron transfer ability. In this study, we report successful in situ doping of Cr ions on the surface of NiFe-LDH using a simple one-step hydrothermal method. The addition of Cr induced synergistic lattice and electronic effects, increased the active surface area and exposed more active sites, leading to excellent OER performance with a low overpotential of 219 mV at a current density of 100 mA cm-2, a Tafel slope of 58.16 mV dec-1, and long-term stability for 500 h in 1 M KOH. Cr3+ doping could adjust the coordination of Ni, Fe and O, optimize the adsorption of intermediates, accelerate electron transfer and enhance OER kinetics. This work provides a new idea for the regulation of the activity of NiFe-LDHs by heterovalent ion doping and offers a reference for low-cost and high-efficiency OER catalysts.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":" ","pages":"14563-14572"},"PeriodicalIF":3.3,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149101043","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

An anthocyanin-curcumin colorimetric array with internal standard-guided feature switching for monitoring volatile alkaline nitrogen gases in meat freshness assessment. 一种内部标准导向特征切换的花青素-姜黄素比色阵列，用于肉类新鲜度评估中挥发性碱性氮的监测。

IF 3 3区化学

Analytical Methods Pub Date : 2026-10-20 DOI: 10.1039/d6ay01887d

Ziqin Liao, Yu Bai, Yulin Chen, Jin Shang, Wei Gan, Yuzhu Wang, Xuan Wei

{"title":"An anthocyanin-curcumin colorimetric array with internal standard-guided feature switching for monitoring volatile alkaline nitrogen gases in meat freshness assessment.","authors":"Ziqin Liao, Yu Bai, Yulin Chen, Jin Shang, Wei Gan, Yuzhu Wang, Xuan Wei","doi":"10.1039/d6ay01887d","DOIUrl":"https://doi.org/10.1039/d6ay01887d","url":null,"abstract":"Smartphone-based colorimetric sensor arrays using natural dyes are promising for on-site meat freshness assessment, but varying illumination and imaging angles compromise reliability. To address this, we developed an anthocyanin-curcumin array incorporating an α-Fe2O3 internal standard and an internal-standard-guided dynamic feature-space switching (IS-DFSS) strategy and validated its effectiveness under complex imaging conditions using ammonia as the representative analyte because it is the dominant component of total volatile basic nitrogen (TVB-N). Eight colorimetric films and the internal standard film were hydrophobically modified and assembled into a 3 × 3 array. The water contact angle increased from 63.3° to 112.9°, ensuring signal stability in high humidity. The sensing units responded strongly to TVB-N components ammonia, trimethylamine (TMA), and dimethylamine (DMA). For ammonia, Euclidean distance increased from 1.23 to 24.7 at 50 ppm and 13.7 to 65.7 at 500 ppm over 120 min, while non-alkaline volatiles (ethanol, hexanal) and non-volatile food matrix components (protein, glucose, fat) were negligible. In pork at 4 °C, array response correlated with TVB-N content (R2 = 0.987). The RGB values from 174 ammonia-responsive and 126 environment-interference images were averaged over three replicates to construct datasets, deriving HSV and Lab features. IS-DFSS with CatBoost reduced the mean absolute error to 15.85 ppm (45.46% reduction) and the mean false-signal error to 27.49 ppm (33.97% reduction) versus single RGB features, achieving R2 = 0.972. This method provides a robust, portable platform for monitoring TVB-N components, laying the foundation for reliable meat freshness assessment under complex imaging conditions.","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222891","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

Dynamic optical stealth hydrogel for information encryption.

IF 4.3 2区化学

Chemical Communications Pub Date : 2026-10-20 DOI: 10.1039/d6cc04691f

Yi Yang, Jingfan Wan, Songzhi Gao, Jiqiang Wang, Zhenchuan Yu

引用次数: 0