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We report the theoretical modeling of the reductive hydrogenation of [6,6]-closed, [6,6]-open, and near-equatorial [5,6]-open C₇₀(CF₂)-I–III as well as the regioselective synthesis of three novel C₇₀(CF₂)H₂ isomers I–III, their spectral characterization using mass spectrometry, UV/Vis, FTIR, Raman, and NMR spectroscopy. We have shown that regardless of the configuration of CF₂ moiety and its position at the fullerene cage, the bridgehead carbon atoms are activated in the anionic state and undergone protonation in the presence of water. The regioselectivity of the formation of C₇₀(CF₂)H₂ isomers, as well as unexpected features of suppression of the C₇₀ hydrogenation in the presence of C₇₀(CF₂), and the high reactivity of near-equatorial [5,6]-open C₇₀(CF₂) to polyhydrogenation are discussed from kinetic and thermodynamic aspects.

3a, 6a-Diaza-1,4-diphosphapentalenes (RR’DDP) containing thienyl and alkyl peripheral substituents were synthesized (R, R’ = {(5-ethylthienyl-2), Me} (6), {(thienyl-2), n-Bu} (7)). Interaction of 1,2,4,5-tetracyanobenzene (TCNB) with DDP 6 in any stoichiometry produces sandwich complex of the composition DDP-TCNB-DDP. Estimation of the HOMO−LUMO gap from the onset of optical absorption gives value of 1.34 eV. The study of the electron density topology showed that each TCNB molecule is an acceptor of 0.44e in the crystal while each DDP molecule in stack is charged + 0.22e. The energy of intermolecular interactions between the donor and acceptor molecules is 8.2 kcal/mol. We demonstrate for the first time the photoconductivity of a representative of a new class of charge–transfer complexes based on diazadiphosphapentalenes. Electrical measurements of single crystals of the (RR’DDP)/TCNB complex (R, R’ = {(thienyl-2), Me} showed that the photocurrent under 1 Sun-irradiation is close to 1.5 nA, and the photosensitivity reaches 70. Complexation of TCNB with diazadiphosphapentalene 7 containing n-butyl peripheral substituents does not result in the formation of a stable complex. Analysis of ten representatives of diazadiphosphapentalenes showed that steric effects and the flexibility of peripheral substituents play a decisive role in complexation with TCNB.

High-entropy alloys (HEAs) have emerged as exceptional electrocatalysts due to their unique structural and electronic properties. In this work, we synthesized PtRhPdIrRu HEA nanoaggregates by precisely controlling the zeta potential during synthesis. The resulting catalyst demonstrated superior oxygen reduction reaction (ORR) activity in both acidic and alkaline electrolytes, outperforming commercial Pt/C. Remarkably, the HEA nanoaggregates exhibited outstanding stability, retaining half-wave potentials (E₁/₂) of 0.851 V after 13,000 cycles in acidic media and 0.864 V after 30,000 cycles in alkaline media. These results highlight the exceptional electrocatalytic performance and durability of HEA nanoaggregates, making them highly promising candidates for next-generation ORR catalysts.

Mesoionic compounds bearing halogen atoms have the potential to form “charge-assisted halogen bonding”. Three types of halogen interactions are found by varying the substituted position of iodine atoms on mesoionic triphenylthiazol-3-ium-4-olates in the crystal structures. They also exhibit columnar stacking structures, whose interaction is greater energetic stabilization than halogen bonding. The columnar arrangement is influenced by the nature of the halogen bonding. More information can be found in the Research Article by Shoji Matsumoto, Shun Suzuki, and Motohiro Akazome (DOI: 10.1002/cplu.202500477).

A mononuclear Cd(II) complex, [Cd(9BuA)₂(H₂O)₂(DMF)NO₃]NO₃ (1) derived from 9-butyladenine (9BuA) has been synthesized and characterized using elemental analysis, Fourier transform infrared ¹H NMR, and single-crystal X-ray diffraction analysis. Crystallographic analysis reveals a distorted octahedral coordination environment around the Cd(II) center, where two 9BuA ligands, two water molecules, a DMF molecule, and a nitrate ion coordinate through N and O atoms. The complex exists as a monocation stabilized by an additional noncoordinated nitrate counterion. Hirshfeld surface analysis and electrostatic potential mapping highlight the dominance of hydrogen-bonding interactions (CH…O, NH…O, OH…O, etc.), which collectively stabilize the 3D crystal packing. Energy framework analysis identifies 18 dimeric interactions, with the most stable dimers stabilized by strong Coulombic forces, resulting in total interaction energies between −145.3 and −376.3 kJ mol⁻¹. The photophysical investigation shows chelation-enhanced fluorescence due to ligand rigidification upon coordination. In vitro antibacterial assays of complex 1 against six bacterial strains—three Gram-positive (Mammaliicoccus lentus, Staphylococcus cohnii, Bacillus cereus) and three Gram-negative (Enterobacter cloacae, Klebsiella pneumoniae, Shigella sonnei)—reveal selective and potent activity. To the best of current knowledge, this study presents the first structurally and biologically characterized Cd(II) complex of a modified adenine derivative, integrating detailed supramolecular and photophysical analyses with antibacterial evaluation.

Electrochromic materials have recently aroused extreme attention due to their exceptional application potential in display screens, architectural glass, and coating stealth materials, etc. Developing electrochromic polymers synchronously sharing blue and second near-infrared (NIR-II) transmissive is urgently in demand but extremely scarce. Herein, three kinds of electrochromic polymers featuring redox electrochemical and electrochromic properties are obtained through electrochemical polymerization of three monomers, ProDOT-TPA, ProDOT-TPPA, and ProDOT-2TPA, which are constructed based on 3,4-ethylenedioxythiophene (ProDOT) and triphenylamine (TPA) derivatives. Electrochemical studies reveal that ProDOT-TPA exhibits low initial oxidation potential of 0.59 V, possessing significant advantages for obtaining high-quality polymers. The optimized polymers [P(ProDOT-TPA)] show significant properties in electrochromic devices with optical contrast of 14.38% at 400 nm and 49.55% at 1100 nm, along with coloration efficiency of 123 cm²C⁻¹ and response times of 0.5 s.

Reductive amination is crucial for synthesizing amines in pharmaceutical and industry, yet selectively producing primary amines on a large scale remains challenging. This work presents a continuous-flow reductive amination process using benzaldehyde with NH₃ and H₂ as the nitrogen sources and reductant. A cobalt catalyst supported on nitrogen-doped carbon derived from chitosan (Co@CS) was developed. After optimization, a primary amine yield exceeding 99% was achieved under mild reaction conditions. The catalyst demonstrated excellent stability in long-term tests and with various substrates, including the biomass lignin-derived vanillin. Compared to batch reactors, theflow reactor provided superior selectivity. This catalytic flow process minimizes waste, enhances atom economy, avoids hazardous chemical, and improves energy efficiency. The use of a renewable chitosan feedstock and a safer process aligns with multiple principles of green chemistry. The exceptional heat and mass transfer in the Flow system offers an effective strategy for the large-scale production of primary amines from biomass platform compounds.

The stereoselective polymerization of racemic epoxides represents an increasingly powerful route to materials with tailored properties. Progress in this field is closely connected to advanced catalyst design and a growing understanding of polymerization mechanisms. This review briefly summarizes the historical development of the field and then focuses on research covering the past 10 years. Polyethers, already widely employed both for the mass market and for highly specialized applications, can be expected to gain further functionality and applicability based on these advances. A succinct final chapter provides an outlook, highlighting where stereocontrolled polyethers, in particular isotactic polymers, have already found fruitful application.

Machine learning (ML) techniques are currently investigated for their potential applicability in a wide range of disciplines and scientific domains as a powerful extension to existing state-of-the-art experimental and computational methods. The diverse scientific areas within the materials science field can largely benefit from the development of data-driven methods in the present era of advanced ML computational algorithms, efficient, and optimized hardware and large amounts of produced information. In this perspective, basic concepts are introduced and representative advances are showcased from the standpoint of materials characterization and soft matter molecular simulation. Prerequisites and challenges are discussed toward the construction of sound and efficient ML-aided approaches that can contribute via new auxiliary routes to fundamental understanding and thus facilitate scientific discovery and technological applications.

Stimuli-responsive, water-soluble synthetic receptors are key to advancing dynamic molecular recognition in aqueous environments, with implications for self-assembly, molecular machines, and biomedical systems. Herein, a macrocyclic receptor is reported that exhibits pH-dependent binding properties toward saccharides in water, in that it displays markedly different affinities between alkaline and neutral conditions. Spectroscopic and binding studies reveal that the degree of protonation of the solubilizing groups modulates the receptor self-association phenomena, together with concomitant substantial loss of binding ability. This work highlights a rare example of a pH-switchable carbohydrate receptor operating in water and underscores the potentials of such system in the design of smart, responsive molecular architectures.