Russian Journal of Physical Chemistry A最新文献

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Complexation of Baricitinib with β-Cyclodextrin and Its Dimeric Amino-Derivatives 巴利替尼与β-环糊精及其二聚氨基衍生物的复合物
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-02-11 DOI: 10.1134/S0036024424703084
A. A. Garibyan, G. I. Kurochkina, N. V. Kutyasheva, M. K. Grachev, I. V. Terekhova
{"title":"Complexation of Baricitinib with β-Cyclodextrin and Its Dimeric Amino-Derivatives","authors":"A. A. Garibyan,&nbsp;G. I. Kurochkina,&nbsp;N. V. Kutyasheva,&nbsp;M. K. Grachev,&nbsp;I. V. Terekhova","doi":"10.1134/S0036024424703084","DOIUrl":"10.1134/S0036024424703084","url":null,"abstract":"<p>A comparative study of the complexing and solubilizing capacity of β-cyclodextrin and its new dimeric diaminocationic derivatives in relation to baricitinib, a new generation immunomodulator, is performed. Isothermal saturation is used to determine the solubility of baricitinib in the presence of the considered β‑cyclodextrins in a phosphate buffer solution (pH 6.8). Thermodynamic parameters of complex formation are calculated, and a binding mode is proposed on the basis of <sup>1</sup>H NMR data. The effect of the structure of β-cyclodextrin on the efficiency of complex formation and the solubilization of baricitinib is analyzed.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 14","pages":"3497 - 3503"},"PeriodicalIF":0.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388789","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
Thermodynamic Properties of Cysteine in Harmonic and Anharmonic Approximations Taking Into Account Mixing
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-02-11 DOI: 10.1134/S003602442470314X
V. V. Turovtsev
{"title":"Thermodynamic Properties of Cysteine in Harmonic and Anharmonic Approximations Taking Into Account Mixing","authors":"V. V. Turovtsev","doi":"10.1134/S003602442470314X","DOIUrl":"10.1134/S003602442470314X","url":null,"abstract":"<p>The geometric structure, total electron energies, and harmonic and anharmonic frequencies of vibration are found for cysteine conformers by means of M06/6-311++G(3<i>df</i>,3<i>pd</i>). The internal rotation in the main conformer is studied, and the contribution of internal rotation to the thermodynamic functions is considered. The conformational space, main conformers, and mole fractions of cysteine are determined. Thermodynamic functions of cysteine in the gas phase are found in the 298−1500 K range of temperatures with allowance for symmetry and isomerism, mole fractions, and contributions of mixing in harmonic and anharmonic approximations. It is shown that the entropy and free energy must necessarily include the contribution of mixing.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 14","pages":"3538 - 3546"},"PeriodicalIF":0.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388886","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
Epoxy Binder Modifier Based on Epoxyphosphazene Resin 基于环氧磷苯树脂的环氧粘结剂改性剂
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-02-11 DOI: 10.1134/S0036024424703114
S. S. Malakhovskii, I. V. Tarasov, N. V. Kostromina, Yu. V. Olikhova, I. Yu. Gorbunova
{"title":"Epoxy Binder Modifier Based on Epoxyphosphazene Resin","authors":"S. S. Malakhovskii,&nbsp;I. V. Tarasov,&nbsp;N. V. Kostromina,&nbsp;Yu. V. Olikhova,&nbsp;I. Yu. Gorbunova","doi":"10.1134/S0036024424703114","DOIUrl":"10.1134/S0036024424703114","url":null,"abstract":"<p>The possibility of using epoxyphosphazene resin as a modifier for the epoxydiane matrix cured with 4,4-diaminodiphenylmethane has been studied. A dynamic mechanical analysis showed that with a modifier introduced in epoxydiane resin, the rubber elasticity modulus and the glass transition temperature increase relative to those of the unmodified matrix. The molecular mass between the crosslinks, calculated from the rubber elasticity modulus, decreases when epoxyphosphazene resin is introduced in the epoxydiane matrix, indicating an increase in the density of crosslinking in the modified systems. With an increase in the content of epoxyphosphazene resin in the binder, the impact viscosity of the composites increases compared to that of the unmodified matrix. The fragments of the three-dimensional network structure in such systems can be impact energy dissipators.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 14","pages":"3514 - 3521"},"PeriodicalIF":0.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388792","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
Synthesis, Thermal, and Spectroscopic Properties of High-Temperature Photoactive Halogen-Substituted Boron Difluoride β-Diketonate 高温光活性卤素取代二氟化硼 β-二酮酸盐的合成、热学和光谱特性
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-02-11 DOI: 10.1134/S0036024424703059
U. V. Chervonova, A. A. Ksenofontov, M. S. Gruzdev
{"title":"Synthesis, Thermal, and Spectroscopic Properties of High-Temperature Photoactive Halogen-Substituted Boron Difluoride β-Diketonate","authors":"U. V. Chervonova,&nbsp;A. A. Ksenofontov,&nbsp;M. S. Gruzdev","doi":"10.1134/S0036024424703059","DOIUrl":"10.1134/S0036024424703059","url":null,"abstract":"<p>The authors synthesized halogen-substituted aromatic β-diketone and BF<sub>2</sub>-complex based on it. The temperatures of phase transitions and decomposition of the obtained samples are established. In contrast to the ligand with a 509.1 K (235.9°C) temperature of decomposition, the temperature stability rises to 690.3 K (417.1°C) for complexation with boron trifluoride etherate. Solutions of the complex in dichloromethane (DCM) are characterized by intense violet-blue fluorescence (QY<sub>FL</sub> = 34%) with an emission maximum at 425 nm. This complex has green emission in the solid state, while the efficiency of solid-state fluorescence of the boron complex decreases to a 10% value of QY<sub>FL</sub>.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 14","pages":"3474 - 3480"},"PeriodicalIF":0.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388928","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
Phase Equilibria in a System Formed by Potassium Oxalates and Citrates
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-02-11 DOI: 10.1134/S0036024424702868
Yu. Luo, E. E. Dominnik, S. V. Kurdakova, E. V. Belova, I. A. Uspenskaya
{"title":"Phase Equilibria in a System Formed by Potassium Oxalates and Citrates","authors":"Yu. Luo,&nbsp;E. E. Dominnik,&nbsp;S. V. Kurdakova,&nbsp;E. V. Belova,&nbsp;I. A. Uspenskaya","doi":"10.1134/S0036024424702868","DOIUrl":"10.1134/S0036024424702868","url":null,"abstract":"<p>The authors study the effect different factors (having a seed of a certain phase, mixing, and period of holding while preparing the initial heterogeneous mixtures, acidity) have on the conditions of crystallization of solid phases from solutions in the K<sup>+</sup>, H<sup>+</sup>||C<sub>2</sub>O<span>(_{4}^{{2 - }})</span> (abbr. Ox<sup>2–</sup>), and C<sub>6</sub>H<sub>5</sub>O<span>(_{7}^{{3 - }})</span> (abbr. Cit<sup>3−</sup>)–H<sub>2</sub>O systems. The solubilities of salts of potassium hydrocitrate K<sub>2</sub>HC<sub>6</sub>H<sub>5</sub>O<sub>7</sub> (K<sub>2</sub>HCit) and potassium hydrooxalate KHC<sub>2</sub>O<sub>4</sub> (KHOx) with pH 2.5–5 are determined at 298.15 K (25°C) in the 10–40 wt % and 0–20 wt % ranges of concentrations, respectively. Areas of the crystallization of salts of KH<sub>2</sub>Cit⋅2H<sub>2</sub>O, K<sub>2</sub>HCit⋅0.5H<sub>2</sub>O, KHOx, 2K<sub>2</sub>Ox⋅H<sub>2</sub>Ox⋅2H<sub>2</sub>O, and K<sub>2</sub>Ox⋅H<sub>2</sub>O are identified.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 14","pages":"3332 - 3341"},"PeriodicalIF":0.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388804","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
High Temperature Mass Spectrometric Study of Vaporization and Thermodynamic Properties in the Cs2O–Al2O3 System
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-02-11 DOI: 10.1134/S0036024424703035
V. A. Vorozhtcov, V. L. Stolyarova, A. L. Shilov, A. V. Fedorova, S. I. Lopatin, S. M. Shugurov, V. A. Stolyarov, M. E. Pavelina
{"title":"High Temperature Mass Spectrometric Study of Vaporization and Thermodynamic Properties in the Cs2O–Al2O3 System","authors":"V. A. Vorozhtcov,&nbsp;V. L. Stolyarova,&nbsp;A. L. Shilov,&nbsp;A. V. Fedorova,&nbsp;S. I. Lopatin,&nbsp;S. M. Shugurov,&nbsp;V. A. Stolyarov,&nbsp;M. E. Pavelina","doi":"10.1134/S0036024424703035","DOIUrl":"10.1134/S0036024424703035","url":null,"abstract":"<p>Using the Knudsen effusion mass spectrometric method in the temperature range 1100–1520 K, the vaporization processes and thermodynamic properties in the Cs<sub>2</sub>O–Al<sub>2</sub>O<sub>3</sub> system were studied. The data on the component activities were fitted using the Redlich–Kister polynomial to calculate the excess Gibbs energies in this system for the first time. Thermodynamic properties found in the Cs<sub>2</sub>O–Al<sub>2</sub>O<sub>3</sub> system were discussed in the frame of the generalized lattice theory of associated solutions. It was found that the Cs–O–Al bonds made the most valuable contribution to the negative deviations from the ideality in the Cs<sub>2</sub>O–Al<sub>2</sub>O<sub>3</sub> system at the temperature 1200 K.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 14","pages":"3454 - 3466"},"PeriodicalIF":0.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388925","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
Solid-Phase Equilibrium Diagram of the Bi2Te3-Rich Corner of MnTe–Bi2Te3–Te System and Thermodynamic Properties of the Intermediate Phases MnTe-Bi2Te3-Te 体系的 Bi2Te3 富角固相平衡图和中间相的热力学性质
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-02-11 DOI: 10.1134/S0036024424703060
Elnur N. Orujlu, Eldar I. Ahmadov, Najaf N. Orujov, Mahammad B. Babanly
{"title":"Solid-Phase Equilibrium Diagram of the Bi2Te3-Rich Corner of MnTe–Bi2Te3–Te System and Thermodynamic Properties of the Intermediate Phases","authors":"Elnur N. Orujlu,&nbsp;Eldar I. Ahmadov,&nbsp;Najaf N. Orujov,&nbsp;Mahammad B. Babanly","doi":"10.1134/S0036024424703060","DOIUrl":"10.1134/S0036024424703060","url":null,"abstract":"<p>In this study, the thermodynamic properties of the Bi<sub>2</sub>Te<sub>3</sub>-rich manganese-bismuth tellurides were determined using an electromotive force (EMF) method with a liquid electrolyte in a 300–450 K temperature interval. Solid-phase equilibrium diagram of the Bi<sub>2</sub>Te<sub>3</sub>-rich corner of the MnTe–Bi<sub>2</sub>Te<sub>3</sub>–Te system at 300 K was constructed using literature data and X-ray diffraction (XRD) analysis of synthesized electrode alloys. Functions <span>(Delta bar {Z}_{{{text{Mn}}}}^{'})</span> (<span>(Delta bar {G}_{{{text{Mn}}}}^{'},)</span> <span>(Delta bar {H}_{{{text{Mn}}}}^{'})</span>, and <span>(Delta bar {S}_{{{text{Mn}}}}^{'})</span>) corresponding to linear equations were calculated for different phase regions using EMF values. The relative partial molar functions of manganese in alloys were calculated with the help of these data along with the corresponding thermodynamic functions of MnTe and Bi<sub>2</sub>Te<sub>3</sub>. The standard thermodynamic functions of formation and standard entropies of the Bi<sub>2</sub>Te<sub>3</sub>-rich manganese bismuth tellurides – MnBi<sub>8</sub>Te<sub>13</sub>, MnBi<sub>10</sub>Te<sub>16</sub>, MnBi<sub>12</sub>Te<sub>19</sub>, and MnBi<sub>14</sub>Te<sub>22</sub> compounds, and solid solutions based on Bi<sub>2</sub>Te<sub>3</sub> have been obtained.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 14","pages":"3481 - 3488"},"PeriodicalIF":0.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388884","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
Heat Capacity and Thermodynamic Functions of SmMgAl11O19
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-02-11 DOI: 10.1134/S0036024424703072
P. G. Gagarin, A. V. Guskov, V. N. Guskov, A. V. Khoroshilov, K. S. Gavrichev
{"title":"Heat Capacity and Thermodynamic Functions of SmMgAl11O19","authors":"P. G. Gagarin,&nbsp;A. V. Guskov,&nbsp;V. N. Guskov,&nbsp;A. V. Khoroshilov,&nbsp;K. S. Gavrichev","doi":"10.1134/S0036024424703072","DOIUrl":"10.1134/S0036024424703072","url":null,"abstract":"<p>Heat capacity of single-phase samarium-magnesium hexaaluminate SmMgAl<sub>11</sub>O<sub>19</sub> was measured by relaxation, adiabatic and differential scanning calorimetry in the region 2–1864 K. Thermodynamic functions were calculated based on the smoothed values of heat capacity. Possible inaccuracies in the assessment of heat capacity and entropy using the Neumann–Kopp rule in the field of low and high temperatures are shown.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 14","pages":"3489 - 3496"},"PeriodicalIF":0.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388788","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
Thermodynamic Aspects of the Interaction of Hydrogen with R2Fe17 (R = Gd, Dy, Lu)
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-02-11 DOI: 10.1134/S0036024424703047
E. Yu. Anikina, V. N. Verbetsky, A. V. Gracheva, I. S. Tereshina
{"title":"Thermodynamic Aspects of the Interaction of Hydrogen with R2Fe17 (R = Gd, Dy, Lu)","authors":"E. Yu. Anikina,&nbsp;V. N. Verbetsky,&nbsp;A. V. Gracheva,&nbsp;I. S. Tereshina","doi":"10.1134/S0036024424703047","DOIUrl":"10.1134/S0036024424703047","url":null,"abstract":"<p>The interaction of magnetic materials R<sub>2</sub>Fe<sub>17</sub> (R = Gd, Dy, Lu) with hydrogen at 473 and 523 K and hydrogen pressure up to 5 MPa was studied by the Calvet calorimetry method. The dependences <i>P</i> = <i>f</i>(<i>C</i>) and ∆<i>H</i> = <i>f</i>(<i>C</i>) were obtained (<i>P</i> is the equilibrium pressure of hydrogen, ∆<i>H</i> is the enthalpy of absorption/desorption, <i>C</i> is the concentration of hydrogen in an intermetallic compound (IMC), <i>C</i> = <i>H</i>/IMC). It has been established that the enthalpy values of the reaction of hydrogen with IMC change with changes in the process temperature, the concentration of hydrogen in the metal matrix, as well as during the transition from one compound to another. The graphs of the dependence ∆<i>H</i> = <i>f</i>(<i>C</i>) show two sections where the enthalpy values are constant. It is assumed that the observed changes in the thermodynamic parameters of the process are related to the filling order of octahedral interstices 9e and tetrahedral interstices 18g, and the filling process of octahedral interstices 9e occurs in two stages with different energy characteristics.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 14","pages":"3467 - 3473"},"PeriodicalIF":0.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388927","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
Self-Assembled Structures in the Dynamic Interfacial Layer of a Liquid–Liquid System 液-液体系动态界面层中的自组装结构
IF 0.7 4区 化学
Russian Journal of Physical Chemistry A Pub Date : 2025-02-11 DOI: 10.1134/S0036024424702820
E. N. Golubina, N. F. Kizim, L. A. Bashlaev
{"title":"Self-Assembled Structures in the Dynamic Interfacial Layer of a Liquid–Liquid System","authors":"E. N. Golubina,&nbsp;N. F. Kizim,&nbsp;L. A. Bashlaev","doi":"10.1134/S0036024424702820","DOIUrl":"10.1134/S0036024424702820","url":null,"abstract":"<p>The effects of the initial composition of the system, nature of the solvent, rare earth salt, and temperature on the formation of self-assembled structures in the dynamic interfacial layer of a heterogeneous liquid system were studied. It is shown that by means of self-assembly at the liquid/liquid interface it is possible to create a material which, when transferred to a glass plate, forms surfaces with different microreliefs, characterized by different wettabilities. The presence of a bianion and polymer solvation by the insertion reaction were confirmed by IR spectroscopy.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 14","pages":"3304 - 3309"},"PeriodicalIF":0.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388848","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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