Moscow University Chemistry Bulletin最新文献

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Synthesis and Properties of Functionally Substituted Phthalocyanines: From Photocatalysis to Photodynamic Therapy
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-01-27 DOI: 10.3103/S0027131424700421
E. A. Gorbunova, N. E. Kononenko, Ya. N. Korovkina, T. V. Dubinina, E. R. Milaeva
{"title":"Synthesis and Properties of Functionally Substituted Phthalocyanines: From Photocatalysis to Photodynamic Therapy","authors":"E. A. Gorbunova,&nbsp;N. E. Kononenko,&nbsp;Ya. N. Korovkina,&nbsp;T. V. Dubinina,&nbsp;E. R. Milaeva","doi":"10.3103/S0027131424700421","DOIUrl":"10.3103/S0027131424700421","url":null,"abstract":"<p>This review focuses on the main methods for obtaining functionally substituted phthalocyanine complexes, as well as the precursor phthalonitriles containing various hydrophilic and hydrophobic groups. It presents a comparison of the optical and photochemical properties of phthalocyanines, including pathways for generating reactive oxygen species. The potential applications of phthalocyanines are outlined, including photocatalysis, fluorescent diagnostics, and photodynamic therapy for cancer and antibacterial treatments.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 6","pages":"387 - 419"},"PeriodicalIF":0.7,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanism Based on Formation, Closure and Overgrowth of Pores Describing Zero-Order Release from Polylactide Films
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-01-27 DOI: 10.3103/S0027131424700469
S. Kuzin, T. A. Ivanova, P. S. Timashev, E. N. Golubeva
{"title":"Mechanism Based on Formation, Closure and Overgrowth of Pores Describing Zero-Order Release from Polylactide Films","authors":"S. Kuzin,&nbsp;T. A. Ivanova,&nbsp;P. S. Timashev,&nbsp;E. N. Golubeva","doi":"10.3103/S0027131424700469","DOIUrl":"10.3103/S0027131424700469","url":null,"abstract":"<p>The use of drug delivery systems requires an understanding of the release kinetic patterns of an encapsulated drug or a model compound. In this work, the zero-order release of the pH-sensitive nitroxide radical 5,5-dimethyl-4-dimethylamino-2-ethyl-2-(4-pyridyl)-2,5-dihydroimidazole-1-oxyl (DPI) from poly-D,L-lactide (PDLLA) films into aqueous buffer solution was studied with continuous-wave electron paramagnetic resonance spectroscopy (EPR). The EPR method allowed for quantifying the DPI release kinetics from PDLLA films and analyzing rotational mobility and the concentration of the spin probe inside the films during their swelling and degradation. The EPR data were globally analyzed within the previously proposed phenomenological diffusion model based on the processes of pores formation and overgrowth in polyester films. The interaction between the doubly protonated DPI cation, formed in acid media inside the polymer pores, and the counterions of (oligo)lactic acid is proposed. Such interaction leads to the formation of bulk DPI-containing paramagnetic aggregates which make the release kinetics diffusion-controlled. This is in contrast to the pore-formation control observed for the standard spin probe 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxide (TEMPOL). Therefore, the release rate depends on the thickness of the film and the size and the charge of the dopant. Keywords: poly-D,L-lactide films; spin probes; electron paramagnetic resonance; mechanism of drug release; mathematical model of the release kinetics; zero-order release.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 6","pages":"442 - 451"},"PeriodicalIF":0.7,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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 Thermoelectric Materials for Mid-Temperature Applications: Current State and Prospects
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-01-27 DOI: 10.3103/S0027131424700408
A. V. Shevelkov, A. O. Polevik
{"title":"Development of Thermoelectric Materials for Mid-Temperature Applications: Current State and Prospects","authors":"A. V. Shevelkov,&nbsp;A. O. Polevik","doi":"10.3103/S0027131424700408","DOIUrl":"10.3103/S0027131424700408","url":null,"abstract":"<p>The development of efficient and environmentally friendly thermoelectric materials for mid-temperature applications, in the range of 200–500°С, follows the necessity to create devices for saving electricity, and in particular, for converting waste heat into electric power. This review surveys the evolution of thermoelectric materials from the initial approaches of Abram Ioffe to modern ideas using the examples of various substances including chalcogenides, pnictides, and intermetallic compounds. Special attention is paid to the implementation of new concepts for the development of thermoelectric materials from inexpensive and environmentally friendly substances for mid-temperature applications, primarily in the automotive industry.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 6","pages":"359 - 373"},"PeriodicalIF":0.7,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Solid-State Polymer Electrolytes for Lithium-Ion Batteries
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-01-27 DOI: 10.3103/S0027131424700433
E. A. Karpushkin, L. I. Lopatina, O. A. Drozhzhin, V. G. Sergeyev
{"title":"Solid-State Polymer Electrolytes for Lithium-Ion Batteries","authors":"E. A. Karpushkin,&nbsp;L. I. Lopatina,&nbsp;O. A. Drozhzhin,&nbsp;V. G. Sergeyev","doi":"10.3103/S0027131424700433","DOIUrl":"10.3103/S0027131424700433","url":null,"abstract":"<p>In this short review, we attempt to analyze and summarize the existing trends related to the development of solid-state polymer-based electrolytes for lithium-ion batteries. Mechanisms of the ion conductivity and modern approaches to the optimization of solid polymer electrolytes and creation of composite polymer electrolytes are considered. The possible promising approaches to the development of efficient solid-state polymer electrolytes are assessed.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 6","pages":"420 - 428"},"PeriodicalIF":0.7,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109410","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Solvent Extraction of Uranium(VI) from Acidic and Alkaline Solutions Using Ionic Liquid-Based Systems
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-01-27 DOI: 10.3103/S002713142470041X
A. Yu. Fominykh, P. I. Matveev
{"title":"Solvent Extraction of Uranium(VI) from Acidic and Alkaline Solutions Using Ionic Liquid-Based Systems","authors":"A. Yu. Fominykh,&nbsp;P. I. Matveev","doi":"10.3103/S002713142470041X","DOIUrl":"10.3103/S002713142470041X","url":null,"abstract":"<p>This review addresses the issue of efficient and selective extraction of uranium(VI) from various media using systems based on ionic liquids. It examines the current technological process for extracting uranium(VI) from spent nuclear fuel solutions and identifies its shortcomings. This review analyzes and systematizes information on the main types of ionic liquids being studied for uranium(VI) extraction, either as solvents, extractants, or in their pure form. Special attention is given to commercially available ammonium and phosphonium ionic liquids, which have demonstrated high efficiency in extracting uranium(VI) from hydrochloric and alkaline media, while in nitric acid media, the highest distribution coefficients are observed for tetravalent actinides [1].</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 6","pages":"374 - 386"},"PeriodicalIF":0.7,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109292","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Oxidative Degradation of Polyaromatic Hydrocarbons under Ultrasonic Impact
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-01-27 DOI: 10.3103/S0027131424700445
P. G. Mingalev, V. D. Dudnik, G. V. Lisichkin
{"title":"Oxidative Degradation of Polyaromatic Hydrocarbons under Ultrasonic Impact","authors":"P. G. Mingalev,&nbsp;V. D. Dudnik,&nbsp;G. V. Lisichkin","doi":"10.3103/S0027131424700445","DOIUrl":"10.3103/S0027131424700445","url":null,"abstract":"<p>Aromatic and, in peculiar, polyaromatic hydrocarbons are one of the common class of anthropogenic pollutants. Processes of their degradation are of great interest from an ecological point of view. This article describes the current situation in the use of ultrasound as an instrument, accelerating such degradation.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 6","pages":"429 - 434"},"PeriodicalIF":0.7,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
TUBB3 Expression in Nonsmall Cell Lung Cancer Tissue: Reasons for Immunohistochemical Assay Discordance and an Approach to Overcome It
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-01-27 DOI: 10.3103/S0027131424700457
T. A. Bogush, A. Lee, S. A. Kalyuzhny, E. A. Bogush, M. Ya. Melnikov, V. S. Kosorukov
{"title":"TUBB3 Expression in Nonsmall Cell Lung Cancer Tissue: Reasons for Immunohistochemical Assay Discordance and an Approach to Overcome It","authors":"T. A. Bogush,&nbsp;A. Lee,&nbsp;S. A. Kalyuzhny,&nbsp;E. A. Bogush,&nbsp;M. Ya. Melnikov,&nbsp;V. S. Kosorukov","doi":"10.3103/S0027131424700457","DOIUrl":"10.3103/S0027131424700457","url":null,"abstract":"<p>The reasons for discordance data on the contribution of a TUBB3 microtubule protein to resistance to antitumor drugs and the metastatic potential of tumors with an assessment of prognostic significance of TUBB3 expression in nonsmall cell lung cancer tissue are analyzed. The need to introduce quantitative analysis methods in molecular diagnostics of tumors (in particular, immunofluorescence assessment associated with flow cytometry) is substantiated.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 6","pages":"435 - 441"},"PeriodicalIF":0.7,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Quantum Chemical Study of the Electronic Structure of Ytterbium Halides 卤化镱电子结构的量子化学研究
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2024-10-16 DOI: 10.3103/S0027131424700299
P. A. Khadeeva, V. M. Shakhova, Y. V. Lomachuk, N. S. Mosyagin, L. V. Skripnikov, A. V. Titov
{"title":"Quantum Chemical Study of the Electronic Structure of Ytterbium Halides","authors":"P. A. Khadeeva,&nbsp;V. M. Shakhova,&nbsp;Y. V. Lomachuk,&nbsp;N. S. Mosyagin,&nbsp;L. V. Skripnikov,&nbsp;A. V. Titov","doi":"10.3103/S0027131424700299","DOIUrl":"10.3103/S0027131424700299","url":null,"abstract":"<p>The study of ytterbium halide crystals using the compound-tunable embedding potential (CTEP) method is carried out in the framework of the density functional theory. For subsequent calculations the optimization of atomic bases is carried out, and for this purpose stoichiometric molecular systems were studied, using the coupled-cluster methods. The chemical shift of the lines of the X-ray emission spectrum, <i>K</i><sub>α1</sub> and <i>K</i><sub>α2</sub>, in YbHal<sub>3</sub> relative to YbHal<sub>2</sub> was chosen as a criterion for verifying the computational accuracy of the properties localized on the nucleus of a heavy atom, Yb, since this method is a unique tool for analyzing partial electron densities near a heavy nucleus specifically for compounds of d- and f-elements. In the study, five main versions for the halogen basis set sizes were considered. The stability of the results was obtained using the CCSD and CCSD(T) coupled cluster methods for molecular systems YbF<sub>2</sub>, YbF<sub>3</sub>, YbCl<sub>2</sub> and YbCl<sub>3</sub>.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 4","pages":"288 - 294"},"PeriodicalIF":0.7,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142443281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Undulating Potentials of Rydberg Σ+-States of Me–Rg Molecules: NonEmpirical Modeling of the Na–He Exciplex Me-Rg 分子的 Rydberg Σ+ 态的波动电位:Na-He 复合物的非经验建模
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2024-10-16 DOI: 10.3103/S0027131424700305
S. V. Kozlov, E. A. Pazyuk, A. V. Stolyarov
{"title":"Undulating Potentials of Rydberg Σ+-States of Me–Rg Molecules: NonEmpirical Modeling of the Na–He Exciplex","authors":"S. V. Kozlov,&nbsp;E. A. Pazyuk,&nbsp;A. V. Stolyarov","doi":"10.3103/S0027131424700305","DOIUrl":"10.3103/S0027131424700305","url":null,"abstract":"<p>The multireference configuration interaction method based on single and double excitations (MR–CISD), <i>l</i>-independent core polarization potential (CPP), and diffuse function-saturated cc-pVQZ and aug-cc-pV5Z basis sets for Na and He atoms, respectively, is used to perform nonrelativistic calculations of potential energy curves and permanent dipole moment functions for the ground and excited electronic states of the exciplex Na–He molecule up to the Na(6<sup>2</sup>S) state. The ab initio results obtained within a wide range of internuclear distances <i>R</i> [1.7, 20.0] (Å) quantitatively confirm the undulating behavior of interatomic potentials, predicted in the framework of the inelastic scattering theory. It is established that at large R the interatomic potentials and dipole moments of highly excited (3, 6, 10)<sup>2</sup>Σ<sup>+</sup> states, converging to the Na (<i>n</i> = 4, 5, 6<sup>2</sup>S) + He(2<sup>2</sup>S) atomic limits, are modulated by the nodal structure of the radial Rydberg wave function (<i>n</i> &gt; 3) of the <i>s</i>-electron of an Na atom during its scattering on a remote He atom.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 4","pages":"295 - 300"},"PeriodicalIF":0.7,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142443282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Mechanism of Deprotonation of the Amino Group of Glutamate upon Binding to N-Acetylglutamate Synthase 谷氨酸氨基与 N-乙酰谷氨酸合成酶结合后的去质子化机制
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2024-10-16 DOI: 10.3103/S0027131424700263
A. R. Blinova, A. M. Kulakova, B. L. Grigorenko
{"title":"The Mechanism of Deprotonation of the Amino Group of Glutamate upon Binding to N-Acetylglutamate Synthase","authors":"A. R. Blinova,&nbsp;A. M. Kulakova,&nbsp;B. L. Grigorenko","doi":"10.3103/S0027131424700263","DOIUrl":"10.3103/S0027131424700263","url":null,"abstract":"<p>Gcn5-related <i>N</i>-acetyltransferases catalyze the transfer of an acetyl group to a primary amino group of a wide class of substrates. Deprotonation of the amino group upon binding to the enzyme is necessary to activate the nucleophilic attack on the substrate. The process of binding of glutamate to <i>N-</i>acetylglutamate synthase is considered using the methods of molecular modeling and quantum chemistry. It is shown that deprotonation of the primary amino group of glutamate occurs upon its incorporation into the active site of the enzyme with the participation of the side chain of the aspartate residue.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"79 4","pages":"262 - 267"},"PeriodicalIF":0.7,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142443230","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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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