Russian Journal of Physical Chemistry A最新文献

{"title":"An Electrochemical Dopamine Sensor Based on Two-Dimensional Conductive Cu-Metal-Organic Framework","authors":"Xiaodan Zhou,&nbsp;Haimei Zhao,&nbsp;Yuxian Zhao,&nbsp;Yidi Wang,&nbsp;Huaixiao Geng,&nbsp;Lu Gao,&nbsp;Zhichao Zhang,&nbsp;Shuang Han","doi":"10.1134/S0036024426701359","DOIUrl":"10.1134/S0036024426701359","url":null,"abstract":"<p>Integrating of two-dimensional conductive metal-organic frameworks (2D c-MOFs) with exceptional electrical conductivity has emerged as an effective strategy for enhancing the sensitivity and response of electrochemical sensing platforms. In this study, 2D Cu₃(HHTP)₂ MOFs (HHTP, 2,3,6,7,10,11-hexahydroxytriphenylene) were synthesized via an electrochemical approach. The inherent π-conjugation endows these MOFs with high conductivity and versatile coordination chemistry, making them promising materials for sensing. A voltammetric sensor for dopamine (DA) detection was subsequently developed based on these 2D Cu₃(HHTP)₂ MOFs. When evaluated in 0.1 M PBS (pH 6.5), the sensor demonstrated a low detection limit of 0.06536 µM (<i>S</i>/<i>N</i> = 3), a wide linear range from 0.1 to100 µM, and excellent anti-interference ability. Its practical applicability was further validated by the successful determination of DA in urine samples, with satisfactory recoveries ranging from 99.03 to 104.11%. This work demonstrates that 2D Cu₃(HHTP)₂ MOFs can effectively improve the selectivity, stability, and sensitivity of electrochemical sensors, offering a viable strategy for developing next-generation biosensor devices.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 8","pages":"1865 - 1882"},"PeriodicalIF":0.7,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148811046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Surface Thiol Substitution Enhances the Piezo-Photocatalytic Anti-Fouling Properties of Ti3C2Tx","authors":"Zesheng Zhang,&nbsp;Xin Zhang,&nbsp;Shijun Zhang,&nbsp;Sikandar Khan,&nbsp;Wolfgang Sand,&nbsp;Baorong Hou,&nbsp;Jian Lv,&nbsp;Ruiyong Zhang","doi":"10.1134/S0036024426701372","DOIUrl":"10.1134/S0036024426701372","url":null,"abstract":"<p>Marine biofouling poses a serious threat to the operational safety and service life of offshore engineering equipment; consequently, the development of environmentally friendly, highly efficient, and broad-spectrum anti-fouling technologies is a core requirement in offshore engineering. Piezoelectric-photocatalytic technology can simultaneously harness solar energy and the mechanical energy of water currents in the marine environment, offering a sustainable solution for the prevention and control of biofouling. However, existing MXene-based catalytic materials still face bottlenecks, including weak piezoelectric response, severe recombination of photogenerated carriers, and insufficient synergistic antibacterial efficiency. In this study, a series of thiol-modified Ti₃C₂Tx MXene catalysts was prepared using a thiol surface functionalization strategy, and their piezoelectric-photocatalytic synergistic antibacterial performance and mechanisms of action were systematically investigated. The results indicate that the optimal Ti₃C₂–SH3 sample, under the synergistic action of visible light and simulated marine flow shear stress, achieved inactivation rates of 92.97 and 90.30% against the typical marine fouling bacteria <i>Staphylococcus aureus</i> and <i>Pseudomonas aeruginosa,</i> respectively. This antibacterial efficiency far surpasses that of single-mode catalysis and demonstrates excellent cycling stability. Mechanistic studies confirmed that thiol modification simultaneously enhances the material’s piezoelectric response and the efficiency of photogenerated carrier separation. The force-light coupling synergistically promotes the efficient generation of highly oxidative reactive oxygen species, ultimately achieving multi-pathway, highly efficient bactericidal activity. This study provides new insights into the design of MXene-based multifunctional catalytic materials and their application in green marine anti-fouling.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 8","pages":"1894 - 1907"},"PeriodicalIF":0.7,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148811057","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rhodium(III)-Catalyzed [4 + 2] Cycloaddition of N-Carbamoylindole with Vinylene Carbonate: A Theoretical Study","authors":"Ruiqiu Liu,&nbsp;Yaping Ding,&nbsp;Fuhai Yu,&nbsp;Tao Liu","doi":"10.1134/S0036024426701141","DOIUrl":"10.1134/S0036024426701141","url":null,"abstract":"<p>The density functional theory (DFT) has been utilized to elucidate the mechanisms of rhodium(III)-catalyzed [4 + 2] cycloaddition between N-carbamoylindole and vinylene carbonate. The calculated results suggest that the reaction involves six steps: N–H/C–H activation, insertion of vinylene carbonate, 1,2-rhodium shift, CO₂ elimination, protonation, and aldehyde-amino condensation. Mechanistic studies indicate that the 1,2-rhodium migration process facilitates the decarboxylative activation of vinylene carbonate. The activation energy barrier is 22.6 kcal/mol. The calculations clearly reveal a coordinated reaction mechanism that directly yields a cyclic ketonate rhodium intermediate through the release of carbon dioxide. These meaningful insights may serve as the basis for the further design and development of transition metal catalyzed N-carbamoylindole with vinylene carbonate systems featuring high reactivity and selectivity.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 8","pages":"1637 - 1643"},"PeriodicalIF":0.7,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148811104","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Assessment of Polarization of the Hydrophilic Part of Glycerophospholipids and Cholesterol","authors":"Yu. A. Uss,&nbsp;M. V. Shamolin","doi":"10.1134/S0036024426701384","DOIUrl":"10.1134/S0036024426701384","url":null,"abstract":"<p>The use of a hybrid experimental and theoretical method has made it possible to evaluate polarization of the hydrophilic part of glycerophospholipids and cholesterol, taking into account the physicochemical properties of the individual functional groups of the molecules. The concept of a “functional topological atom” was used for this purpose. Molecular polarization was evaluated based on an algorithm for calculating the dipole moment of a chemical bond and polarization of a “functional topological atom,” implemented in the DipolarCalc software system. This approach makes it possible to evaluate polarizability of molecules and the structural strength of their clusters, including group interactions of atoms during computer modeling of the intermolecular interactions of various lipids in the biomembrane.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 8","pages":"1908 - 1911"},"PeriodicalIF":0.7,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148811106","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Growth and Characterization of Undoped ZnO and Ni/Co-, Fe/Co-, and Fe/Ni-Codoped ZnO Thin Films by a Sol-Gel Spin Coating Technique","authors":"M. Ayachi,&nbsp;A. Djelloul,&nbsp;L. Zougar,&nbsp;M. Guezzoul,&nbsp;K. Arjunan,&nbsp;S. Sali,&nbsp;S. Kermadi,&nbsp;F. Ayad,&nbsp;S. Anas,&nbsp;O. Djema,&nbsp;S. Boulahdjel","doi":"10.1134/S0036024426700949","DOIUrl":"10.1134/S0036024426700949","url":null,"abstract":"<p>In this work, undoped ZnO thin films, as well as Ni/Co-, Fe/Co-, and Fe/Ni-codoped ZnO thin films, were deposited onto glass substrates using the spin-coating technique. The influence of co-doping with Ni/Co, Fe/Co, and Fe/Ni on ZnO thin films was investigated using various characterization studies such as X-ray diffraction (XRD), atomic force microscopy (AFM), UV-Vis-NIR spectroscopy, X-ray photonics (XPS), and electrical measurements. XRD analysis confirms that all films are polycrystalline with a hexagonal structure, exhibiting a preferred (110) orientation that shifts to the (211) plane upon Ni/Co, Fe/Co, and Fe/Ni codoping. The average crystallite size is calculated to be about 16–23 nm. AFM analysis indicates that the average surface roughness (Sa) of our samples ranges from 21.40 to 162.30 nm. The average optical transmittance (AT) of the undoped and Fe/Co-codoped ZnO films in the wavelength range of 300–800 nm is approximately 80%, decreasing to about 60% upon Fe/Ni codoping, while the Ni/Co-codoped ZnO film has the best transparency (≈90%). The band gaps (<i>E</i>_g) varied from 3.08 to 3.25 eV. XPS results indicate that transition metal (TM) dopants, such as Ni, Co, and Fe, were incorporated into the ZnO matrix through the photoelectron peaks amplified at the 2<i>p</i> core-level photoelectron peaks (2<i>p</i>1/2 and 2<i>p</i>3/2) of these elements, confirming the successful doping of TM ions into the ZnO lattice. Electrical measurements revealed <i>n</i>-type conductivity across all films, with an observed reduction in sheet resistance in the codoped ZnO films, which enhances free carrier concentration and improves charge transport through the film. These findings provide valuable insights into the role of transition metal co-doping in the design of zinc oxide thin films for potential applications in optoelectronics and transparent electrodes.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 7","pages":"1433 - 1444"},"PeriodicalIF":0.7,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148810879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Integrated in Silico Screening of Diterpenoids from Jatropha curcas Targeting Bcl-2 in Hepatocellular Carcinoma","authors":"Hung Duc Nguyen","doi":"10.1134/S0036024426701086","DOIUrl":"10.1134/S0036024426701086","url":null,"abstract":"<p>Hepatocellular carcinoma (HCC) frequently evades apoptosis through upregulation of anti-apoptotic Bcl-2 proteins, contributing to tumor persistence and therapy resistance and highlighting the need for new targeted strategies. Diterpenoids from <i>Jatropha curcas</i> have shown anticancer potential, yet their putative mechanisms against apoptosis regulators remain insufficiently characterized. Five <i>Jatropha curcas</i> diterpenoids (CPD1–CPD5) were computationally assessed as potential inhibitors of Bcl-2 (PDB: 6QGG) using Simvastatin as a reference within an integrated in silico approach. Molecular docking prioritized CPD1 (3‑Dehydroxy-2-<i>epi</i>-caniojane) with a favorable pocket-anchored binding mode within the conserved Bcl-2 groove. Explicit-solvent molecular dynamics supported stable complex behavior and persistent hydrophobic engagement over the simulation window. MMGBSA analysis suggested stronger overall binding for the reference compound, indicating that solvation and energetic balance may limit CPD1 relative to Simvastatin despite its robust docking pose. Drug-likeness and pkCSM-based ADMET predictions highlighted encouraging absorption and safety trends for CPD1, alongside a potential clearance liability, while DFT descriptors supported distinctive electronic reactivity features that may influence interaction propensity. Collectively, CPD1 emerges as a plausible Bcl-2–targeting scaffold for HCC, warranting experimental validation and lead optimization.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 7","pages":"1579 - 1591"},"PeriodicalIF":0.7,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148810954","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ion-Molecular Interactions in Ammonium Iodide–Metal Iodide–N-Methylpyrrolidone Ternary Solutions According to Calorimetry and Densimetry Data","authors":"A. N. Novikov,&nbsp;E. I. Kostyleva,&nbsp;V. A. Arngold,&nbsp;V. P. Demidov,&nbsp;V. A. Selina","doi":"10.1134/S0036024426701165","DOIUrl":"10.1134/S0036024426701165","url":null,"abstract":"<p>The heat capacity and density of NH₄I–KI–<i>N</i>-methylpyrrolidone (MP) and NH₄I–CdI₂–MP solutions were studied by calorimetry and densimetry at 298.15 K. The changes in the heat capacity and volume during the formation of the ternary systems from binary solutions were calculated and discussed. A comparison of the obtained data with the results of studies of the RbI–KI–MP and RbI–CdI₂–MP systems showed that there are no significant differences. This indicates that the ion-molecular interactions in the systems are electrostatic. Significant deviations from additivity for the NH₄I–CdI₂–MP and RbI–CdI₂–MP solutions are attributed to the predominant acidocomplexation processes.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 8","pages":"1654 - 1658"},"PeriodicalIF":0.7,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148810989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Concentration Dependence of the Surface Composition of In–Pb Solid Solutions","authors":"O. G. Ashkhotov,&nbsp;I. B. Ashkhotova,&nbsp;T. T. Magkoev","doi":"10.1134/S0036024426701025","DOIUrl":"10.1134/S0036024426701025","url":null,"abstract":"<p>The Auger spectra of pure In, Pb, and eleven binary alloys based on them in the solid state have been studied. The studies were carried out on atomically clean surfaces obtained by bombardment with argon ions at room temperature. To determine the composition and chemical environment in the surface layers, the amplitudes and energy positions of the In, Pb Auger peaks for pure metals and their binary alloys were measured at temperatures from room temperature to 150°C. The surface concentrations were calculated based on the experimental data obtained, according to which isotherms and polytherms were constructed for the solid alloys. The surface of the alloys is dominated by lead, whose concentration decreases with increasing temperature.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 7","pages":"1532 - 1535"},"PeriodicalIF":0.7,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148811009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Use of Inverse Laplace Transform in Calculations of the Integral Density of States","authors":"S. O. Adamson,&nbsp;D. D. Kharlampidi","doi":"10.1134/S0036024426700883","DOIUrl":"10.1134/S0036024426700883","url":null,"abstract":"<p>The numerical inversion of Laplace transform is shown to be identical to integration of the inverse transform by the trapezoid rule. Modification of the inverse Laplace transform with numerical integration over a finite segment is proposed. The possibility of calculating the integral density with a relative error of less than 0.01% is shown for the vibrational states of H₂O and NH₃ molecules. For CD₄ and <i>c</i>-C₃H₆, direct calculation with a step or in original terms—grain of 1–2 cm^–1 leads to a larger error in comparison with the numerical integration of the inverse Laplace transform.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 7","pages":"1382 - 1392"},"PeriodicalIF":0.7,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148811015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Facile Molten Salt Synthesis of Sustainable Biomass-Derived Carbon for Electrochemical Energy Storage","authors":"Xiaosong Wei,&nbsp;Yanqing Cai,&nbsp;Yinyin Jin,&nbsp;Yun Jing,&nbsp;Yalin Zhang,&nbsp;Xinggang Chen","doi":"10.1134/S0036024426701360","DOIUrl":"10.1134/S0036024426701360","url":null,"abstract":"<p>This research focuses on synthesizing biomass-derived porous carbon materials from soybean straw and corn cob through a one-step molten salt carbonization -activation method, using three molten salt mixtures, namely NaCl–KCl, ZnCl₂–KCl, and ZnCl₂–NaCl, as both templates and activators. The synthesized carbon materials were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy, and Brunauer–Emmett–Teller (BET) analyses. A series of electrochemical measurement techniques were employed to investigate their three-electrode electrochemical performances and the assembled symmetric supercapacitors. The results indicate that the soybean straw-derived carbon prepared with the ZnCl₂–KCl mixture (denoted as ZK–S) exhibits a high specific capacitance of 197 F g^–1 at a current density of 0.1 A g^–1 in a 6 M aqueous KOH electrolyte. The assembled symmetric supercapacitor device exhibits a specific capacitance of 155 F g^–1, a power density of 50 W kg^–1, and an energy density of 12.84 W h kg^–1 at 0.1 A g^–1. Moreover, the ZK–S carbon demonstrates remarkable cycling stability, retaining over 105% of its capacity after 10 000 cycles, indicating a promising long cycle life. Therefore, this study emphasizes the potential of soybean straw-derived carbon materials prepared by the molten-salt carbonization-activation method in promoting the development of high-performance supercapacitors.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"100 8","pages":"1883 - 1893"},"PeriodicalIF":0.7,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148811047","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}