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In this work, we report the design and synthesis of two chain-like pentanuclear cyanido-bridged complexes trans-[Ru(bpy)(μ-CN)][cis-Ru(bpy)(μ-NC)M(dppe)Cp*][PF] (M=Fe, 1; M=Ru, 2) and the electronic communication properties of their oxidized products 1 (m=6, 7, 8) and 2 (n=5, 6, 7, 8). The single-crystal X-ray diffraction analysis of 1 (m=4, 6, 7) and 2 show that 1 and 2 possess a Z-type array structure, 1 is a U-type one, and 1 exhibits both the types. The investigations indicate that both 1 and 2 show an extraordinarily strong electronic interaction between the two side Ru across the central NC-Ru-CN, leading to the formation of a fully delocalized cyanidometal Ru-Ru-Ru bridge for both three-electron oxidized states 1 and 2. Moreover, it should be noted that in 1 there exists no electronic interaction between the two terminal Fe ions. Upon substitution of Fe by Ru, however, 2 exhibits an electronic interaction between the two terminal metal ions across the trinuclear cyanidometal CN-Ru-NC-Ru-CN-Ru-NC bridge which is up to 20 Å.
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http://dx.doi.org/10.1002/chem.202402771 | DOI Listing |
Sud Med Ekspert
January 2025
Bureau of Forensic Medical Examination of the Department of Health Care of the City of Moscow, Moscow, Russia.
The article considers the main phases of traffic injury (TI) described by A.A. Solokhin in 1968 and their modern application in forensic medical and automotive examination.
View Article and Find Full Text PDFJ Phys Chem A
September 2025
Department of Chemistry, Tsinghua University, Beijing 100084, China.
A series of Cu-based single-atom catalysts (SACs) with asymmetric coordination were designed to accelerate lithium-sulfur (Li-S) chemistry. The electronegativity contrast from the dopant induces a localized electronic asymmetry that amplifies Jahn-Teller distortion at the Cu center. This distortion profoundly modulates the Cu 3d electronic structure and its interaction with Li-S intermediates.
View Article and Find Full Text PDFCereb Cortex
August 2025
The Clinical Hospital of Chengdu Brain Sciences Institute, University of Electronic Sciences and Technology of China (UESTC), 2006 Xiyuan Avenue, West Hi Tech Zone, 611731, Chengdu, China.
This commentary reflects three decades of interaction between the Cuban neuroinformatics tradition and the statistical parametric mapping (SPM) framework. From the early development of neurometrics in Cuba to global initiatives like the Global Brain Consortium, our trajectory has paralleled and intersected with that of SPM. We highlight shared commitments to generative modeling, Bayesian inference, and population-level brain mapping, as shaped through collaborations, workshops, and joint theoretical work with Karl Friston and his group.
View Article and Find Full Text PDFMol Divers
September 2025
Department of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, 11942, Al Kharj, Saudi Arabia.
Cyclin-dependent kinase 20 (CDK20), also known as cell cycle-related kinase (CCRK), plays a pivotal role in hepatocellular carcinoma (HCC) progression by regulating β-catenin signaling and promoting uncontrolled proliferation. Despite its emerging significance, selective small-molecule inhibitors of CDK20 remain unexplored. In this study, a known CDK20 inhibitor, ISM042-2-048, was employed as a reference to retrieve structurally similar compounds from the PubChem database using an 85% similarity threshold.
View Article and Find Full Text PDFJ Phys Chem Lett
September 2025
Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87106, United States.
Defects significantly influence charge transport in CHNHPbI (MAPbI) perovskite solar cells, particularly at interfaces. Using quantum dynamics simulation, we reveal a distinct interstitial iodine (I) defect behavior at different positions in the TiO/MAPbI system. In the perovskite bulk-like region, I exhibits high mobility and dissociates detrimental iodine trimers, facilitating small-to-large polaron transition and promoting shallow trap formation.
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