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Russian Journal of Physical Chemistry A最新文献

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A Copper(I) Phosphine Complex for Dual Functions: Photocatalytic Oxidation of Methylene Blue and Fluorescence Quenching Sensing of Tetracycline Antibiotics 具有双重功能的铜(I)膦配合物：亚甲基蓝的光催化氧化和四环素类抗生素的荧光猝灭传感
IF 0.8 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2026-01-16 DOI: 10.1134/S0036024425702772
Hao Lv, Dan Zheng, Xiyue Liu, Luyun Li, Jingjing Tan, Bo Xing
{"title":"A Copper(I) Phosphine Complex for Dual Functions: Photocatalytic Oxidation of Methylene Blue and Fluorescence Quenching Sensing of Tetracycline Antibiotics","authors":"Hao Lv,&nbsp;Dan Zheng,&nbsp;Xiyue Liu,&nbsp;Luyun Li,&nbsp;Jingjing Tan,&nbsp;Bo Xing","doi":"10.1134/S0036024425702772","DOIUrl":"10.1134/S0036024425702772","url":null,"abstract":"<p>This paper focuses on the preparation, structural characterization, and property investigation of the copper(I) complex [Cu(dppe)(phon)]I based on 1,2-bis(diphenylphosphino)ethane. The target complex was synthesized via a solution method, using 1,2-bis(diphenylphosphino)ethane, cuprous iodide, and 1,10-phenanthroline-5,6-dione as raw materials and acetonitrile as the solvent. It was then characterized by infrared spectroscopy (IR), X-ray diffraction (XRD), scanning electron microscopy (SEM), ultraviolet-visible spectroscopy (UV–Vis), and fluorescence spectroscopy. Methylene blue was used to simulate dyeing wastewater, and the single-factor method was employed to study the effects of the initial concentration of methylene blue, illumination time, complex dosage, and temperature on the- efficiency. The results indicated that the optimal photocatalytic degradation performance was achieved at a relatively low initial concentration of methylene blue, an appropriate complex dosage (25 mg), and a temperature of 40°C. Additionally, the copper(I) complex was utilized as a phosphorescent probe for the detection of tetracycline hydrochloride, doxycycline hydrochloride, and chlortetracycline hydrochloride. It was found that the addition of tetracycline antibiotics led to a decrease in the fluorescence intensity of the complex, and the higher the concentration of the antibiotics, the stronger the quenching effect. The detection limit of the phosphorescent probe for tetracycline hydrochloride antibiotics was 3.0 × 10<sup>–9</sup> mol/L. This study provides a theoretical basis and practical reference for the application of copper(I) complexes in photocatalytic degradation and tetracycline detection.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 13","pages":"3279 - 3287"},"PeriodicalIF":0.8,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145983011","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}
引用次数: 0
Acid-Base Properties of Thiopyrine in the Aqueous Dimethylformamide and Aqueous Dimethylsulfoxide Solvents 巯基吡啶在二甲基甲酰胺和二甲基亚砜水溶液中的酸碱性质
IF 0.8 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2026-01-16 DOI: 10.1134/S0036024425702796
Ya. K. Kudratullozoda, K. S. Mabatkadamzoda, J. O. Shoalifov
{"title":"Acid-Base Properties of Thiopyrine in the Aqueous Dimethylformamide and Aqueous Dimethylsulfoxide Solvents","authors":"Ya. K. Kudratullozoda,&nbsp;K. S. Mabatkadamzoda,&nbsp;J. O. Shoalifov","doi":"10.1134/S0036024425702796","DOIUrl":"10.1134/S0036024425702796","url":null,"abstract":"<p>The acid-base properties of thiopyrine (TP) were studied in the water–dimethylformamide and water–dimethylsulfoxide solvents containing 25, 50, and 75 vol % DMF and DMSO at 298 K and ionic strength of 0.1 mol/L (NaClO<sub>4</sub>). The p<i>K</i> values of thiopyrine were determined over a wide range of pH values. Areas with different forms of thiopyrine were identified depending on the dimethylformamide and dimethylsulfoxide contents. It was established that p<i>K</i> of thiopyrine increases with the content of the organic solvent. Based on the obtained p<i>K</i> values it was found that in aqueous dimethylformamide and dimethylsulfoxide solutions, thiopyrine exhibits the properties of a weak base.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 13","pages":"3297 - 3301"},"PeriodicalIF":0.8,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145983033","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}
引用次数: 0
Adsorption of Oxygen-Containing Organic Compounds on the Chelate-Containing Surface of Silicas 含氧有机化合物在二氧化硅螯合物表面的吸附
IF 0.8 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2026-01-16 DOI: 10.1134/S0036024425702899
E. A. Pakhnutova, Yu. G. Slizhov
{"title":"Adsorption of Oxygen-Containing Organic Compounds on the Chelate-Containing Surface of Silicas","authors":"E. A. Pakhnutova,&nbsp;Yu. G. Slizhov","doi":"10.1134/S0036024425702899","DOIUrl":"10.1134/S0036024425702899","url":null,"abstract":"<p>New sorbents based on Silipor 200 have been synthesized. The adsorption properties of their surface in relation to the following classes of organic compounds were studied: aliphatic alcohols, aldehydes, ketones, and esters. Chelate-type complex compounds were used as modifying additives to obtain noncovalently modified adsorbents: cobalt acetyl acetonate, benzoyl acetonate, ethyl acetoacetate, and diethyl malonate. The retention of organic substances was studied by gas chromatography, and the thermodynamic parameters of adsorption and Henry constants were calculated. The influence of the functional groups of the chelate on the adsorption heats, the adsorption entropy change, and the contributions of cobalt chelates on the SiO<sub>2</sub> surface to the retention of adsorbates were determined.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 13","pages":"3403 - 3412"},"PeriodicalIF":0.8,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145983325","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}
引用次数: 0
Low-Temperature Thermodynamic Properties of Sodium-Cesium Trimolybdate NaCsMo3O10 三钼酸钠-铯NaCsMo3O10的低温热力学性质
IF 0.8 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-12-08 DOI: 10.1134/S0036024425702334
M. A. Bespyatov, D. S. Shevelev, V. A. Trifonov, A. A. Nazarova, T. M. Kuzin, N. V. Gel’fond
{"title":"Low-Temperature Thermodynamic Properties of Sodium-Cesium Trimolybdate NaCsMo3O10","authors":"M. A. Bespyatov,&nbsp;D. S. Shevelev,&nbsp;V. A. Trifonov,&nbsp;A. A. Nazarova,&nbsp;T. M. Kuzin,&nbsp;N. V. Gel’fond","doi":"10.1134/S0036024425702334","DOIUrl":"10.1134/S0036024425702334","url":null,"abstract":"<p>The heat capacity of sodium-cesium trimolybdate NaCsMo<sub>3</sub>O<sub>10</sub> was measured by the adiabatic method in the range of 5–319 K. No thermal anomalies in the behavior of heat capacity have been found. However, a feature was revealed indicating the presence of a low-frequency peak in the density of phonon states. The Debye temperature at absolute zero was determined by extrapolating the experimental data to absolute zero. Based on the smoothed heat capacity values, the isobaric thermodynamic functions (entropy, enthalpy increment, reduced Gibbs energy) were calculated in the range of 0–320 K.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 12","pages":"2905 - 2911"},"PeriodicalIF":0.8,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698404","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}
引用次数: 0
Physical Properties of Tritium in the Presence of the Tungsten Nanoparticle at High Pressures and Temperatures 纳米钨粒子存在下氚在高压和高温下的物理性质
IF 0.8 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-12-08 DOI: 10.1134/S0036024425702449
A. E. Galashev, A. F. Anisimov
{"title":"Physical Properties of Tritium in the Presence of the Tungsten Nanoparticle at High Pressures and Temperatures","authors":"A. E. Galashev,&nbsp;A. F. Anisimov","doi":"10.1134/S0036024425702449","DOIUrl":"10.1134/S0036024425702449","url":null,"abstract":"<p>The physical properties of tritium were determined; its extraction from nuclear plants is required to prevent its penetration into the cooling system and reduce the release of isotopes into the environment. The structural, kinetic, and adsorption properties of compressed tritium containing the tungsten nanoparticle were calculated by ab initio molecular dynamics modeling in the temperature range of 293 ≤ <i>T</i> ≤ 2873 K. The first peak of the partial radial distribution function of W–<sup>3</sup>H decreases, and the self-diffusion coefficient of tritium continuously increases with temperature. A large number of peaks are present in the spectral density of atomic vibrations of the whole system over the entire temperature range under study. It was concluded that tritium has a high tendency to be adsorbed on the tungsten nanoparticle, and the temperature of the system is the main criterion of the level of this adsorption.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 12","pages":"3022 - 3028"},"PeriodicalIF":0.8,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698575","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}
引用次数: 0
Rational Investigation of Si@Ferric Oxide As a Modified Polymorph Cluster: TD-DFT Absorbance and CO2 Adsorption Annealing Si@Ferric氧化物作为改性多晶簇的合理研究：TD-DFT吸光度和CO2吸附退火
IF 0.8 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-12-08 DOI: 10.1134/S0036024425702401
Dehbi Atallah, Doaa S. El Sayed
{"title":"Rational Investigation of Si@Ferric Oxide As a Modified Polymorph Cluster: TD-DFT Absorbance and CO2 Adsorption Annealing","authors":"Dehbi Atallah,&nbsp;Doaa S. El Sayed","doi":"10.1134/S0036024425702401","DOIUrl":"10.1134/S0036024425702401","url":null,"abstract":"<p>Density functional calculations applied to structural, electronic, and dynamic properties of ferric oxide and its modified Si doping system were explored in detail using the generalized gradient approximation imported in Cambridge Serial Total Energy Package (CASTEP) module. Crystal structures of the studied systems were optimized, and the polymorph prediction of the most organized cluster, identified with a specific space group, was estimated. Significant polymorph clusters were validated using calculated parameters such as energy, density, acceptance rate in the space group, and temperature. Molecular dynamics simulation was performed to support the stability conditions on the material surface. TD-DFT approach was conducted to understand the several electronic transitions inside the designed ferrite and silico-ferrite systems that demonstrated exceptional sensitivity to visible light. Molecular dynamic CO<sub>2</sub>-adsorption models were studied to visualize the behavior of the adsorbed CO<sub>2</sub> molecules on the surface of Fe<sub>2</sub>O<sub>3</sub> and Si@Fe<sub>2</sub>O<sub>3</sub> with planes (0 0 1), in connection with the corrected parameter of basis set superposition error (BSSE). The adsorption annealing study exhibited the best non-covalent interactions between the adsorbed molecules and the surface of the designed systems.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 12","pages":"2970 - 2982"},"PeriodicalIF":0.8,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698628","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}
引用次数: 0
Modeling the Kinetics of Steady-State Attainment for a Simple Pseudo-First-Order Reaction in a Plug-Flow Reactor 塞流反应器中简单伪一阶反应达到稳态的动力学模拟
IF 0.8 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-12-08 DOI: 10.1134/S0036024425702383
A. I. Lysikov, E. G. Malkovich, A. V. Shnayder, E. E. Vorobyeva, V. A. Vdovichenko, A. N. Barsukov, E. V. Parkhomchuk, A. G. Okunev
{"title":"Modeling the Kinetics of Steady-State Attainment for a Simple Pseudo-First-Order Reaction in a Plug-Flow Reactor","authors":"A. I. Lysikov,&nbsp;E. G. Malkovich,&nbsp;A. V. Shnayder,&nbsp;E. E. Vorobyeva,&nbsp;V. A. Vdovichenko,&nbsp;A. N. Barsukov,&nbsp;E. V. Parkhomchuk,&nbsp;A. G. Okunev","doi":"10.1134/S0036024425702383","DOIUrl":"10.1134/S0036024425702383","url":null,"abstract":"<p>A model and a solution method for a plug-flow reactor with pseudo-first-order reactions are proposed. These methods make it possible to identify a dependence of the process duration and the reactor steady-state attainment time on chemical process parameters, such as reactor volume and volumetric feed flow rate. As shown by the calculated data, at least one residence time or inverse volumetric feed flow rate is required for the process to attain steady state. It is also demonstrated that, in a continuous-flow reactor, reactant concentrations always attain steady state sooner than product concentrations; also, the product transition time is independent of the reaction kinetics and is determined by the average mixture contact time within the reactor.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 12","pages":"2955 - 2964"},"PeriodicalIF":0.8,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698790","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}
引用次数: 0
Sorption of Picolinic Acid and Zinc Cations by Dowex 50 Sulfocationite dowex50硫酸盐对吡啶酸和锌阳离子的吸附
IF 0.8 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-12-08 DOI: 10.1134/S0036024425702486
G. N. Al’tshuler, E. V. Ostapova, O. G. Al’tshuler
{"title":"Sorption of Picolinic Acid and Zinc Cations by Dowex 50 Sulfocationite","authors":"G. N. Al’tshuler,&nbsp;E. V. Ostapova,&nbsp;O. G. Al’tshuler","doi":"10.1134/S0036024425702486","DOIUrl":"10.1134/S0036024425702486","url":null,"abstract":"<p>The equilibrium distribution of components between the Dowex 50 sulfocationite and an aqueous solution containing picolinic acid and zinc nitrate was studied. The total concentration of the zinc cation and its complex with picolinic acid in the polymer reached 1.1 M. The possibility of preliminarily calculating the counterionic composition of sulfocationite based on the equilibrium constants of binary ion exchanges and the known composition of solution is shown.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 12","pages":"3062 - 3065"},"PeriodicalIF":0.8,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698382","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}
引用次数: 0
Molecular Dynamics Simulation of the Effect of Temperature, Graphene Size, and Concentration on Aqueous Electrolyte Supercapacitors 温度、石墨烯尺寸和浓度对水电解质超级电容器影响的分子动力学模拟
IF 0.8 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-12-08 DOI: 10.1134/S0036024425702425
Chundi Liao, Yize Wang, Wenyu Zhang, Zhenfan Sun, Wenda Qiu, Peijun Deng, Jing Fu, Guoxian Li, Huajie Feng
{"title":"Molecular Dynamics Simulation of the Effect of Temperature, Graphene Size, and Concentration on Aqueous Electrolyte Supercapacitors","authors":"Chundi Liao,&nbsp;Yize Wang,&nbsp;Wenyu Zhang,&nbsp;Zhenfan Sun,&nbsp;Wenda Qiu,&nbsp;Peijun Deng,&nbsp;Jing Fu,&nbsp;Guoxian Li,&nbsp;Huajie Feng","doi":"10.1134/S0036024425702425","DOIUrl":"10.1134/S0036024425702425","url":null,"abstract":"<p>The effects of electrolyte concentration (regulated by varying the amount of ethylene glycol), temperature, and graphene size (adjusted by expanding the original graphene unit cell to different extents) on the diffusion and structure of aqueous electrolytes in graphene supercapacitors were investigated using molecular dynamics simulations. By analyzing the average number of hydrogen bonds, number density distributions, mean square displacement, and diffusion coefficients, we found that temperature and concentration significantly influence the properties of the system, while graphene size has a minimal effect. As the concentration of ethylene glycol increases, the hydrogen bonding network among water molecules is gradually disrupted, leading to a decrease in the average number of hydrogen bonds between water molecules, while the average number of hydrogen bonds between water and ethylene glycol molecules increases. Ethylene glycol demonstrates a greater propensity for hydrogen bond formation compared to water molecules. Consequently, the addition of ethylene glycol effectively protects water molecules toward decomposition via electrolysis.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 12","pages":"3000 - 3010"},"PeriodicalIF":0.8,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698401","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}
引用次数: 0
Adsorption and Structural Characteristics of Aluminum ASD-6 Modified with Vanadium Pentoxide Hydrogel 五氧化二钒水凝胶改性ASD-6铝的吸附及结构特性
IF 0.8 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-12-08 DOI: 10.1134/S0036024425702498
A. V. Ryabina, V. G. Shevchenko, V. N. Krasil’nikov
{"title":"Adsorption and Structural Characteristics of Aluminum ASD-6 Modified with Vanadium Pentoxide Hydrogel","authors":"A. V. Ryabina,&nbsp;V. G. Shevchenko,&nbsp;V. N. Krasil’nikov","doi":"10.1134/S0036024425702498","DOIUrl":"10.1134/S0036024425702498","url":null,"abstract":"<p>The results of measurements of adsorption and structural characteristics of ASD-6 powder modified with vanadium pentoxide in different concentrations are presented; the specific surface area and porosity of the powders were calculated. With a 5% vanadium pentoxide addition, the specific surface area of ASD-6 + 5%V<sub>2</sub>O<sub>5</sub> increased more than fivefold, and the porosity amounted to 0.036895 cm<sup>3</sup>/g at an average pore width of 8.2686 nm, whereas pure ASD-6 has a specific surface area of 1.1388 m<sup>2</sup>/g. Taking into account the data on the specific surface area, porosity, and the results of physicochemical analysis, optimal concentrations of vanadium hydrogel have been proposed, which make it possible to obtain dispersed systems with the required properties.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 12","pages":"3066 - 3070"},"PeriodicalIF":0.8,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698571","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}
引用次数: 0
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