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

Reactivity of B ← P coordinated phosphide with isocyanides: bases or nucleophiles? B←P配位磷化物与异氰酸酯的反应性：碱还是亲核试剂？

IF 3.3 3区化学

Dalton Transactions Pub Date : 2026-10-20 DOI: 10.1039/d6dt01692h

Michal Aman, Tomáš Bíza, Libor Dostál, Zdeňka Růžičková, Emanuel Hupf, Roman Jambor

引用次数: 0

Nickel(II) coordination compounds of 4'-chloro-fenamic acid: characterization and biological activity. 4′-氯胺酸镍（II）配位化合物：表征及生物活性。

IF 3.3 3区化学

Dalton Transactions Pub Date : 2026-10-20 DOI: 10.1039/d6dt01894g

Alexandra A Galina, Georgios Malis, Anysia Zoi Damala, Konstantina C Fylaktakidou, Antonios G Hatzidimitriou, Stavros Kalogiannis, George Psomas

{"title":"Nickel(II) coordination compounds of 4'-chloro-fenamic acid: characterization and biological activity.","authors":"Alexandra A Galina, Georgios Malis, Anysia Zoi Damala, Konstantina C Fylaktakidou, Antonios G Hatzidimitriou, Stavros Kalogiannis, George Psomas","doi":"10.1039/d6dt01894g","DOIUrl":"10.1039/d6dt01894g","url":null,"abstract":"With the aim of investigating whether the coordination of fenamates to Ni(II) affects the biological profile, a chloro-derivative of fenamic acid (4'-chloro-fenamic acid) was synthesized and used as a ligand for the synthesis of seven nickel(II) complexes in the absence or presence of the nitrogen-donors pyridine, β-picoline, 1H-imidazole, 1,10-phenanthroline, 2,9-dimethyl-1,10-phenanthroline, and 2,2'-bipyridylamine. The characterization of the resultant Ni(II) complexes was performed with diverse techniques (elemental analysis, molar conductivity measurements, mass spectrometry, IR and UV-vis spectroscopy, and single-crystal X-ray crystallography). The compounds were evaluated for their in vitro biological activity in terms of the antioxidant activity via free radical scavenging and H2O2 reduction, the antimicrobial activity against two Gram-positive and two Gram-negative bacterial strains, the interaction with calf-thymus DNA, the cleavage of supercoiled pBR322 plasmid DNA (pDNA) in the dark or under UVB/UVA/visible light irradiation, and the binding affinity toward bovine and human serum albumins. The antioxidant activity of the compounds is noteworthy against 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid) radicals and H2O2, and comparable with that of the reference compounds. The complexes exhibit notable antimicrobial activity against the strains tested. The compounds interact with calf-thymus DNA via intercalation with binding constants of 105-106 M-1 magnitude. The pDNA-cleavage ability of the compounds is significantly enhanced under irradiation. All the compounds can bind tightly and reversibly to both albumins tested.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":" ","pages":"14582-14600"},"PeriodicalIF":3.3,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149101075","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

Magnetic, optical, and photoelectrochemical properties of Er_0.75Y_0.25Fe_1-xCo_xO₃ (x = 0.05, 0.15, 0.3, and 0.5): a Mössbauer and X-ray photoelectron spectroscopy study. Er0.75Y0.25Fe1-xCoxO3 （x = 0.05, 0.15, 0.3和0.5）的磁性、光学和光电化学性质：Mössbauer和x射线光电子能谱研究

IF 3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2026-10-20 DOI: 10.1039/d6cp01367h

Laxmi Devi, Soumen Ash, Nancy, Akshay Kumar, Adarsh Kumar, Ankush Vij, Sher Singh Meena, Kaustava Bhattacharyya, Anirban Das

{"title":"Magnetic, optical, and photoelectrochemical properties of Er0.75Y0.25Fe1-xCoxO3 (x = 0.05, 0.15, 0.3, and 0.5): a Mössbauer and X-ray photoelectron spectroscopy study.","authors":"Laxmi Devi, Soumen Ash, Nancy, Akshay Kumar, Adarsh Kumar, Ankush Vij, Sher Singh Meena, Kaustava Bhattacharyya, Anirban Das","doi":"10.1039/d6cp01367h","DOIUrl":"https://doi.org/10.1039/d6cp01367h","url":null,"abstract":"Polycrystalline Er0.75Y0.25Fe1-xCoxO3 (x = 0.05, 0.15, 0.3, and 0.5) perovskites were synthesized via the solid-state reaction method, and their structural, magnetic, optical and photoelectrochemical properties were investigated. Rietveld refinement of powder X-ray diffraction data confirmed an orthorhombic perovskite phase (Pbnm) for all compositions. Magnetic studies demonstrated weak ferromagnetism governed by the interplay of Dzyaloshinskii-Moriya (DM) and superexchange interactions. Spin reorientation transitions TSR exhibited as broad temperature intervals moved to higher temperatures relative to pure ErFeO3, ranging from 104-174 K (x = 0.05), 125-178 K (x = 0.15), 228-340 K (x = 0.3), and 133-233 K (x = 0.5). X-ray photoelectron spectroscopy revealed mixed Co3+/Co4+ states along with oxygen non-stoichiometry, consistent with Mössbauer evidence of weakened Fe-O-Fe exchange interactions. Mott-Schottky measurements indicated a decrease in valence band potential (from 3.51 to 3.07 eV) along with a transition from p-n to p-type semiconducting behaviour. These results highlight a tunable system with coupled spin, structural, and electronic functionalities, making it a promising candidate for spintronic and photoelectrochemical applications.","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":"149226770","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

Modulating loop flexibility reversibly switches DNA nanocage assembly. 调节环的灵活性可逆地切换DNA纳米笼组装。

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

Structural programming of inorganic materials using DNA frameworks. 使用DNA框架的无机材料结构编程。

IF 4.3 2区化学

Chemical Communications Pub Date : 2026-10-20 DOI: 10.1039/d6cc03219b

Fan Yu, Bochen Li, Sisi Jia, Xiaoguo Liu, Yunxiao Lin

{"title":"Structural programming of inorganic materials using DNA frameworks.","authors":"Fan Yu, Bochen Li, Sisi Jia, Xiaoguo Liu, Yunxiao Lin","doi":"10.1039/d6cc03219b","DOIUrl":"10.1039/d6cc03219b","url":null,"abstract":"Supramolecular assembly through non-covalent interactions is an attractive strategy for building ordered functional systems. DNA exhibits precise programmability at the nanoscale and self-assembles via Watson-Crick pairing. These properties make it an ideal candidate for large-scale supramolecular templates. Since the emergence of DNA nanotechnology, DNA supramolecular frameworks have become powerful tools to regulate inorganic material structures, enabling direct functional design at the molecular level. Inorganic materials offer excellent mechanical and chemical properties. DNA framework structure programming exploits geometric constraints and site specificity to precisely control nucleation, growth, and alignment, enabling the formation of well-defined morphologies. This review summarizes progress in the structural programming of inorganic materials using DNA framework structures. It first traces the development of DNA nanotechnology and highlights its advantages in templating. Then, methods for constructing DNA framework structures, interaction mechanisms guiding programmatic inorganic growth, and characterization techniques are explored. Key strategies including metallization, silicification, calcification, and nanocluster assembly are examined, with a focus on their development, optimization, and performance metrics. Application prospects in nanoelectronic devices, medicine, and chemical catalysis are outlined. Finally, key issues and challenges in DNA-guided synthesis are discussed, along with an outlook on future development. The review aims to provide a systematic reference for controlled structural formation of inorganic materials via DNA framework structures and promote high-quality inorganic material design.","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":"20531-20555"},"PeriodicalIF":4.3,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149000947","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

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. 铑（III）催化苯基异氰酸酯与1,3-二炔原位氧化二环合成[1,3]恶氮基[3,4-a]吲哚-1-亚胺。

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

Nanostructured materials and hybrid architectures for electrochemical sensing of nilutamide and flutamide: detection mechanisms, analytical performance, challenges, and future perspectives. 奈鲁他胺和氟他胺电化学传感的纳米结构材料和混合结构：检测机制、分析性能、挑战和未来展望。

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

Photoredox-catalyzed dehalogenation of aryl halides in an aerated supramolecular hydrogel enabled by triplet-triplet annihilation upconversion. 在曝气超分子水凝胶中由三重态-三重态湮灭上转换实现的芳基卤化物的光氧化催化脱卤。

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

A biopolymer modified Pd nanocomposite for CO gas-free carbonylation reactions and in silico profiling of synthesized molecules. 一种生物聚合物修饰的Pd纳米复合材料，用于CO无气体羰基化反应和合成分子的硅谱分析。

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