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Russian Journal of Physical Chemistry B最新文献

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The Electronic and Optical Properties of Ultrathin Nanostructured Praseodymium Disulfide 超薄纳米结构二硫化镨的电子和光学特性
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-07-22 DOI: 10.1134/S1990793124700167
J. Zhang, W. Wang
{"title":"The Electronic and Optical Properties of Ultrathin Nanostructured Praseodymium Disulfide","authors":"J. Zhang,&nbsp;W. Wang","doi":"10.1134/S1990793124700167","DOIUrl":"10.1134/S1990793124700167","url":null,"abstract":"<p>The lanthanide disulfides have been studied many times, but their various physical chemistry properties still need to be improved. In this paper, we carried out calculations based on density functional theory to investigate the structural, electronic, optical, and elastic properties for ultrathin nanostructured praseodymium disulfide. The band structures and density of states were calculations and analyses in the part of electronic property. We also calculated the real and imaginary parts of dielectric function, absorption coefficient, extinction coefficient and reflectivity to deeply analyze the optical properties. It’s found that praseodymium disulfide shows good characteristics required for potential photovoltaic applications. In addition, the elastic properties were evaluated to check mechanical stability and examine relevant elastic parameters such as Young’s modulus, shear modulus, Poisson’s ratio, etc. Our results indicate that praseodymium disulfide has attractive mechanical, electronic, and optical properties, which making this ultrathin nanostructure suitable for photovoltaic device and engineering applications.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141776844","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
First-Principles Prediction on Structural, Elastic, Mechanical, and Electronic Properties of Chalcogenide Perovskite CaZrS3 under Pressure 压力下钙钛矿包晶 CaZrS3 的结构、弹性、机械和电子特性的第一性原理预测
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-07-22 DOI: 10.1134/S1990793124700155
Q. Q. Xiong
{"title":"First-Principles Prediction on Structural, Elastic, Mechanical, and Electronic Properties of Chalcogenide Perovskite CaZrS3 under Pressure","authors":"Q. Q. Xiong","doi":"10.1134/S1990793124700155","DOIUrl":"10.1134/S1990793124700155","url":null,"abstract":"<p>First-principles calculations using first-principles calculations have been performed to investigate the structural, elastic, and electronic properties of chalcogenide perovskite CaZrS<sub>3</sub> under different pressures. The calculated structural parameters and elastic constants show a good agreement with the other theoretical values. The details of pressure dependences of the structural parameters and elastic constants are also presented and discussed. According to our calculation, we found that the deformation resistances along the axial direction are stronger than the deformation resistances in shape. It is also found, the elastic constant C<sub>11</sub> is always bigger than the C<sub>33</sub> at the same pressure, showing that it is easier to compress along the <i>c</i>-axis than along the <i>a</i>-axis. For the calculated results of the pressure dependence of the electronic band structure, the total density of states and partial density of states of orthorhombic CaZrS<sub>3</sub>. We found that the band gap decreases with the pressure, which provide some additional information about these chalcopyrite semiconductors under pressure to fundamental material physics.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141776845","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
The Effect of Hypochlorite-Induced Fibrinogen Oxidation on the Protein Structure, Fibrin Self-Assembly, and Fibrinolysis 次氯酸盐诱导的纤维蛋白原氧化对蛋白质结构、纤维蛋白自组装和纤维蛋白溶解的影响
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-05-29 DOI: 10.1134/S1990793124020349
L. V. Yurina, A. D. Vasilyeva, E. G. Evtushenko, E. S. Gavrilina, S. I. Obydennyi, I. A. Chabin, M. I. Indeykina, A. S. Kononikhin, E. N. Nikolaev, M. A. Rosenfeld
{"title":"The Effect of Hypochlorite-Induced Fibrinogen Oxidation on the Protein Structure, Fibrin Self-Assembly, and Fibrinolysis","authors":"L. V. Yurina,&nbsp;A. D. Vasilyeva,&nbsp;E. G. Evtushenko,&nbsp;E. S. Gavrilina,&nbsp;S. I. Obydennyi,&nbsp;I. A. Chabin,&nbsp;M. I. Indeykina,&nbsp;A. S. Kononikhin,&nbsp;E. N. Nikolaev,&nbsp;M. A. Rosenfeld","doi":"10.1134/S1990793124020349","DOIUrl":"10.1134/S1990793124020349","url":null,"abstract":"<p>This article studies the structural-functional damage of fibrinogen (FG) treated with hypochlorous acid (HOCl) in the concentration range (10–100 µM). Using tandem mass spectronomy (the MS/MS method), 15 modified amino acid residues with a dose-dependent susceptibility to the oxidizing agent are detected. Using turbidity measurements and confocal laser scanning microscopy (CLSM), it is shown that FG oxidation by 25–100 µM HOCl leads to the formation of a denser fibrin gel, a delayed onset of polymerization, and a decrease in the slope of the polymerization curve, presumably due to the conformational changes in the protein. At lower a HOCl concentration (10 µM), at least six amino acid residues are substantially modified (9–29%), but functionally such modified protein was not distinguishable from the native one. The detected amino acid residues are assumed to be scavengers of the reactive oxygen species (ROS), which prevent the alteration of FG functions.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141167335","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
Oxidation of Benzene to Phenol By Nitrous Oxide on Me-ZSM-5-Zeolites with a Low Concentration of Active Sites: Role of Single Active Sites 活性位点浓度较低的 Me-ZSM-5 沸石上氧化亚氮将苯氧化成苯酚的过程：单个活性位点的作用
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-05-29 DOI: 10.1134/S1990793124020234
V. N. Korchak, A. M. Kuli-zade, O. N. Silchenkova, O. V. Udalova
{"title":"Oxidation of Benzene to Phenol By Nitrous Oxide on Me-ZSM-5-Zeolites with a Low Concentration of Active Sites: Role of Single Active Sites","authors":"V. N. Korchak,&nbsp;A. M. Kuli-zade,&nbsp;O. N. Silchenkova,&nbsp;O. V. Udalova","doi":"10.1134/S1990793124020234","DOIUrl":"10.1134/S1990793124020234","url":null,"abstract":"<p>Catalysts based on high-silica zeolites with Si/Al ratios of 50 and 80 (ZSM-5-50 and ZSM-5-80) modified by Ca, Sr, Cr, Mn, and Sb ions are synthesized and studied in the reaction of the oxidation of benzene to phenol by nitrous oxide. It is shown that catalysts containing about 0.1–0.2 wt % of Sb ions are more active and selective in the reaction of the direct oxidation of benzene to phenol by nitrous oxide. It formally corresponds to the substitution of 1/12 and 1/6 ions of H ions by Sb ions in a ratio of 1 : 1 of the zeolite. In the presence of a sample composed of ZSM-5-50 + 1/12 Sb at a temperature of 450°C and a contact time of 1 s, a phenol yield of 61.2% is achieved with a selectivity of 96%, which is approximately twice as high as the values known in the literature for other for other Me-ZSM-5 catalysts. At the same time, the sample with the composition of ZSM-5-50 + 1/6Sb turns out to be more stable than the other catalysts based on ZSM-5 zeolites. A model is also proposed for the activation of nitrous oxide on single active sites (located at a sufficient distance from each other) of the catalyst, which explains the higher efficiency of nitrous oxide as oxidant than that of molecular oxygen in the reaction of the direct oxidation of benzene to phenol in the presence of Me-ZSM-5 catalysts with a low concentration (less than 0.1%) of Me ions.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141167305","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
Development of a Comprehensive Theoretical and Experimental Methodology for Evaluating the Parameters of Recycling by the Pyrolysis of Plastic Based on Polycarbonate and Polyethylene 开发评估通过热解回收聚碳酸酯和聚乙烯塑料参数的综合理论和实验方法
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-05-29 DOI: 10.1134/S1990793124020325
V. I. Trushlyakov, A. V. Fedyuhin, D. Davydovich
{"title":"Development of a Comprehensive Theoretical and Experimental Methodology for Evaluating the Parameters of Recycling by the Pyrolysis of Plastic Based on Polycarbonate and Polyethylene","authors":"V. I. Trushlyakov,&nbsp;A. V. Fedyuhin,&nbsp;D. Davydovich","doi":"10.1134/S1990793124020325","DOIUrl":"10.1134/S1990793124020325","url":null,"abstract":"<p>The results of thermogravimetric and Fourier transform infrared (FTIR) analysis of polymer composite materials (PCMs) based on polyethylene (PE) and polycarbonate (PC) are presented and compared to PE and PC polymers. Empirical data are obtained for mathematical modeling, including the amount of solid residue upon pyrolysis, volatile yield, and ash content of the studied PCMs and polymers. The results of the mathematical modeling of the pyrolysis process at a temperature of 600°C are presented to quantitatively assess the composition of pyrolysis gas.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141170633","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
Structural Features of Polylactide and Natural Rubber Films Produced by Solution Casting 溶液浇铸法生产的聚乳酸和天然橡胶薄膜的结构特征
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-05-29 DOI: 10.1134/S1990793124020313
Yu. V. Tertyshnaya, M. V. Podzorova, S. G. Karpova, A. V. Krivandin
{"title":"Structural Features of Polylactide and Natural Rubber Films Produced by Solution Casting","authors":"Yu. V. Tertyshnaya,&nbsp;M. V. Podzorova,&nbsp;S. G. Karpova,&nbsp;A. V. Krivandin","doi":"10.1134/S1990793124020313","DOIUrl":"10.1134/S1990793124020313","url":null,"abstract":"<p>Composite film samples of polylactide-natural rubber with a rubber content of 5, 10, and 15 wt % were obtained by the solution method. The study of their morphology shows the presence of rubber inclusions in the form of drops in the polylactide matrix. The thermophysical characteristics are determined by differential scanning calorimetry (DSC). It is determined that when rubber is added and the peak of cold crystallization of polylactide (PLA) disappears on the melting thermograms, the melting temperature decreases by 1–4°C compared to 100% PLA. The structure of the obtained compositions is studied by nuclear magnetic resonance, electron paramagnetic resonance (EPR), and X-ray diffraction. The diffraction patterns of the samples contain reflections characteristic of the crystalline α-form of PLA.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141170814","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
Two-Frequency Pulsed Laser Irradiation to Stimulate the Development of Coniferous Trees 双频脉冲激光照射刺激针叶树的生长发育
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-05-29 DOI: 10.1134/S1990793124020246
A. V. Lobanov, L. M. Apasheva, L. A. Smurova, E. N. Ovcharenko, M. I. Budnik, V. V. Savransky
{"title":"Two-Frequency Pulsed Laser Irradiation to Stimulate the Development of Coniferous Trees","authors":"A. V. Lobanov,&nbsp;L. M. Apasheva,&nbsp;L. A. Smurova,&nbsp;E. N. Ovcharenko,&nbsp;M. I. Budnik,&nbsp;V. V. Savransky","doi":"10.1134/S1990793124020246","DOIUrl":"10.1134/S1990793124020246","url":null,"abstract":"<p>The possibility of using radiation from a two-frequency pulsed copper vapor laser with wavelengths of 510.6 and 578.2 nm with an exposure of 30 to 120 s to stimulate the development of coniferous trees (spruce, pine, larch) with single seed irradiation is shown. The stimulation effect manifests itself at various early stages of development, such as the awakening of seeds in the aquatic environment in the first hours of the experiment (according to the electron absorption spectroscopy data), seed germination, and seedling growth under stressful cultivation conditions. Possible causes of light exposure to plant seeds are discussed.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141167331","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
Biosynthesis and Characterization of Monodisperse Gold Nanoparticles using Mulberry Leaf Extract at Room Temperature 利用桑叶提取物在室温下生物合成单分散金纳米粒子并确定其特性
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-05-29 DOI: 10.1134/S1990793124020064
C. Dong, R. Fu, S. Yu, X. Guo, W. Chen
{"title":"Biosynthesis and Characterization of Monodisperse Gold Nanoparticles using Mulberry Leaf Extract at Room Temperature","authors":"C. Dong,&nbsp;R. Fu,&nbsp;S. Yu,&nbsp;X. Guo,&nbsp;W. Chen","doi":"10.1134/S1990793124020064","DOIUrl":"10.1134/S1990793124020064","url":null,"abstract":"<p>In this research, spherical and small size gold nanoparticles were successfully prepared by a cost-effective, eco-friendly green approach using mulberry leaf extract as both reducing and stabilizing agent. The reducing potential of mulberry leaf extract was studied for the synthesis of gold nanoparticles without adding any external reducing agents. The formation of gold nanoparticles was confirmed by the change of color. The prepared gold nanoparticles were characterized by UV-visible absorption spectroscopy, dynamic light scattering, scanning electron microscope, transmission electron microscopy, fourier transform infrared and powder X-ray diffraction. The absorbance peak which found at 560 nm in UV-vis spectroscopy demonstrated the generation of gold nanoparticles. The fourier transform infrared elucidated that the gold nanoparticles were capped with various functional groups from extracts, keeping them from agglomeration and oxidation. The X-ray diffraction results illustrated that the particles were highly crystalline in nature. The transmission electron microscopy and scanning electron microscope showed the particles were small and spherical. The effect of reaction temperature, amount of chloroauric acid solution and extracts was also investigated. The results demonstrated that these parameters play vital roles in the production of gold nanoparticles.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141170634","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
Mathematical Model of the Process of Thermal Destruction of Polymer Binders under Arbitrary Heating Conditions 任意加热条件下聚合物粘合剂热破坏过程的数学模型
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-05-29 DOI: 10.1134/S1990793124020179
V. M. Yudin
{"title":"Mathematical Model of the Process of Thermal Destruction of Polymer Binders under Arbitrary Heating Conditions","authors":"V. M. Yudin","doi":"10.1134/S1990793124020179","DOIUrl":"10.1134/S1990793124020179","url":null,"abstract":"<p>A mathematical model of the process of thermal destruction of polymer binders is developed, taking into account the experimentally established dependencies of the decomposition depth on temperature and the amount of coke residue on the heating rate. A method for determining the kinetic parameters of the process by the method of inverse problems is developed. The kinetic parameters of the model for six binders are determined.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141167307","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
The Glow of Mg and Ca Atoms When They Interact with H Atoms 镁原子和钙原子与氢原子相互作用时的辉光
IF 1.4 4区 化学
Russian Journal of Physical Chemistry B Pub Date : 2024-05-29 DOI: 10.1134/S1990793124020301
V. I. Petinov, V. M. Timin, K. V. Bozhenko, A. N. Utenyshev
{"title":"The Glow of Mg and Ca Atoms When They Interact with H Atoms","authors":"V. I. Petinov,&nbsp;V. M. Timin,&nbsp;K. V. Bozhenko,&nbsp;A. N. Utenyshev","doi":"10.1134/S1990793124020301","DOIUrl":"10.1134/S1990793124020301","url":null,"abstract":"<p>During the evaporation of magnesium and calcium in partially dissociated H<sub>2</sub>, a glow with λ = 4571.15 and 6572.78 Å is detected, corresponding to the transitions <span>(^{3}P_{1}^{0})</span> → <sup>1</sup><i>S</i><sub>0</sub> in excited Mg* and Ca* atoms. It is assumed that this phenomenon is associated with the chemiluminescence of these atoms when they interact with H atoms.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141167329","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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