Russian Journal of Physical Chemistry A最新文献_第8页

Theoretical Studies on the Interaction between 2-Aminobenzothiazole and Water 2-氨基苯并噻唑与水相互作用的理论研究

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2025-07-06 DOI: 10.1134/S0036024425700943

Xiaorui Fan

{"title":"Theoretical Studies on the Interaction between 2-Aminobenzothiazole and Water","authors":"Xiaorui Fan","doi":"10.1134/S0036024425700943","DOIUrl":"10.1134/S0036024425700943","url":null,"abstract":"ABT-(H2O)n (n = 1–6) has been studied systematically at the ωB97XD/def2-TZVPP level. Hydrogen bonds in ABT-(H2O)n were investigated using quantum theory of atoms in molecules (AIM), interaction region indicator (IRI) and independent gradient model (IGMH) based on Hirshfeld partition. The results show that the strength of hydrogen bond increases with the increasing of the number of water molecules. H2O can be used as proton-donors to form hydrogen bonds with ABT (O–HW⋅⋅⋅N1, O–HW⋅⋅⋅N2, O‒HW⋅⋅⋅S, O–HW⋅⋅⋅C, and O–HW⋅⋅⋅π). Three types of hydrogen bonds (N2–H1⋅⋅⋅O, N2–H2⋅⋅⋅O, and C‒HABT⋅⋅⋅O) are formed when H2O act as proton-acceptors. Both O–HW⋅⋅⋅N1 and N2–H1⋅⋅⋅O hydrogen bonds exist in the most stable structure, indicating that these bonds are relatively strong. The binding energy of hydrogen bond involving carbon atom is less than 2.5 kcal mol–1, which belongs to the very weak hydrogen bond. The eight-membered ring structure formed by hydrogen bond between ABT molecule and water molecule is relatively stable structure.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 7","pages":"1566 - 1579"},"PeriodicalIF":0.8,"publicationDate":"2025-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145162375","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}

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Thermodynamics of Irreversible Processes in the Isothermal Catalyst Grain 等温催化剂晶粒中不可逆过程的热力学

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2025-07-06 DOI: 10.1134/S0036024425700815

A. P. Gerasev

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Establishing the Oxidation Degree of 99Tc Sorbed on Pt Using X-ray Photoelectron Spectroscopy 用x射线光电子能谱法测定99Tc吸附在Pt上的氧化程度

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2025-07-06 DOI: 10.1134/S0036024425701031

S. V. Veselov, A. Yu. Teterin, K. I. Maslakov, Yu. A. Teterin, V. V. Kuznetsov, K. E. German

{"title":"Establishing the Oxidation Degree of 99Tc Sorbed on Pt Using X-ray Photoelectron Spectroscopy","authors":"S. V. Veselov, A. Yu. Teterin, K. I. Maslakov, Yu. A. Teterin, V. V. Kuznetsov, K. E. German","doi":"10.1134/S0036024425701031","DOIUrl":"10.1134/S0036024425701031","url":null,"abstract":"An electrochemical method has been proposed for concentrating the technetium 99mTc ions formed during irradiation of a molybdenum target with neutrons and used for visualization of internal organs in radiopharmaceutical diagnostics. Technetium was isolated by the electrochemical method. An X-ray photoelectron spectroscopy study showed that technetium is released on the cathode in the form of TcO2⋅xH2O due to the electrochemical reduction of pertechnetate ions. As a result of the oxidation of the surface layers by atmospheric oxygen, a certain amount of Tc(VII) is formed in them: the ratio of the amounts of Tc(IV) : Tc(VII) is 3 : 7. Under the optimum process conditions, the efficiency of technetium extraction from a solution containing excess molybdate ions reached 90% within 0.5 h. Since the concentration of molybdenum compounds is low, the reduction of pertechnetate ions occurs with diffusion limitations. The diffusion coefficient of ({text{TcO}}_{4}^{ - }) ions, determined by the rotating disk electrode method, was 2.14 × 10–5 cm2 s–1.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 7","pages":"1628 - 1636"},"PeriodicalIF":0.8,"publicationDate":"2025-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145162283","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}

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Casimir Polarization of the Electromagnetic Field Vacuum in the Vicinity of Particles As a Determining Factor of Their Interactions: Phenomenology 粒子附近电磁场真空的卡西米尔极化是它们相互作用的决定因素：现象学

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2025-07-06 DOI: 10.1134/S0036024425700797

S. F. Timashev

{"title":"Casimir Polarization of the Electromagnetic Field Vacuum in the Vicinity of Particles As a Determining Factor of Their Interactions: Phenomenology","authors":"S. F. Timashev","doi":"10.1134/S0036024425700797","DOIUrl":"10.1134/S0036024425700797","url":null,"abstract":"It is shown that the introduction of a non-zero volume of particles, as well as the concept of Casimir polarization of the electromagnetic field vacuum—EM vacuum in the vicinity of atoms, atomic nuclei, and elementary particles with the formation of corresponding EM polarons, allows us to understand the physical essence of quantum phenomena and processes determined by the “overlap” (interaction) of Casimir polarization regions in the vicinity of particles. The physical essence of the entanglement effect, the diversity of Bose–Einstein condensation processes of particles and the resulting condensates, the genesis of inertial forces arising in accordance with Newton’s 3rd law of mechanics at all levels of the spatio-temporal organization of the Universe, the key role of virtual photons in all of the above processes are discussed. It is shown that within the framework of the previously proposed model of the dynamics of the Universe as an integral open system, connections can be revealed that establish the nature of irreversibility of the dynamics of all processes, up to the processes of energy transfer to the electron subsystems of atoms and nuclear matter of atomic nuclei, which is necessary for stabilizing the functional activity of these systems. In particular, within the framework of the presented understanding of the physical essence of the phenomena of superconductivity and superfluidity, one of the key epistemological problems is solved—understanding the physical basis of the manifestations of the “non-dissipativity” of these phenomena.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 7","pages":"1449 - 1460"},"PeriodicalIF":0.8,"publicationDate":"2025-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145162287","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

Thermodynamics of Stepwise Dissociation of Glycyl-L-aspartic and Glycyl-L-glutamic Acids 甘氨酸-天冬氨酸和甘氨酸-谷氨酸逐步解离的热力学

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2025-07-06 DOI: 10.1134/S0036024425700827

S. N. Gridchin, V. M. Nikol’skii

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Heat Capacity and Thermodynamic Properties of La3TaO7 la3ta7的热容和热力学性质

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2025-07-06 DOI: 10.1134/S0036024425700840

P. G. Gagarin, A. V. Guskov, V. N. Guskov, A. V. Tyurin, K. S. Gavrichev

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Hydrate Formation in Gas-Saturated Layers of Amorphous Ice with Crystalline Nuclei 含晶核的非晶态冰的气体饱和层中水合物的形成

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2025-07-06 DOI: 10.1134/S0036024425700979

M. Z. Faizullin, A. S. Tomin, A. V. Vinogradov, V. P. Koverda

{"title":"Hydrate Formation in Gas-Saturated Layers of Amorphous Ice with Crystalline Nuclei","authors":"M. Z. Faizullin, A. S. Tomin, A. V. Vinogradov, V. P. Koverda","doi":"10.1134/S0036024425700979","DOIUrl":"10.1134/S0036024425700979","url":null,"abstract":"The formation of propane hydrate in the gas-saturated condensates of amorphous ice in the presence of seed crystals has been studied. The gas-saturated amorphous layers were obtained by condensation of the supersonic flows of rarefied vapor and gas onto a substrate cooled with liquid nitrogen. The samples were prepared using both parallel flows orientated normally to the substrate and counter-flows arranged at an angle to it. The formation of ice nanocrystals during the adiabatic expansion of the vapor flow at the exit of the supersonic nozzle ensured their presence in the condensates. The changes in the specific surface density (porosity) of amorphous gas-saturated condensates caused by the changes in the flow orientation relative to the substrate, as well as the presence of seed crystals in the nonequilibrium condensates, affect their stability and crystallization kinetics. Under conditions of deep metastability, spontaneous crystallization occurs, involving the capture of adsorbed gas molecules and formation of the gas hydrate. The crystallized condensates contained a high gas concentration, exceeding its value for the hydrate in an equilibrium state. The excess gas content indicates the presence of gas in the intercrystalline space and the porous medium of the sample.","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 7","pages":"1594 - 1599"},"PeriodicalIF":0.8,"publicationDate":"2025-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145162370","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}

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Stabilization of a Suspension of Microsized Particles of Doped Cerium Dioxide with Nanoparticles for Electrophoresis 纳米颗粒稳定掺杂二氧化铈微颗粒悬浮液的电泳性能

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2025-07-06 DOI: 10.1134/S0036024425700980

E. G. Kalinina

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Theoretical and Experimental Studies on the Positional Impact of Hydroxyl Groups on the Electrochemical Oxidative Behavior of Dihydroxybenzenes 羟基位置对二羟基苯电化学氧化行为影响的理论与实验研究

IF 0.8 4区化学

Russian Journal of Physical Chemistry A Pub Date : 2025-07-06 DOI: 10.1134/S0036024425701080

Chandrakanth Nagaraja, Jathi Keshavayya

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Effects of the Acidity of the Medium on the Structure of Nile Red 培养基酸度对尼罗红结构的影响