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Moscow University Chemistry Bulletin最新文献

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Surface Modified Nanozymes: Production, Properties, and Analytical Application
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-05-13 DOI: 10.3103/S0027131425700014
V. G. Panferov, O. D. Hendrickson, A. V. Zherdev, B. B. Dzantiev
{"title":"Surface Modified Nanozymes: Production, Properties, and Analytical Application","authors":"V. G. Panferov,&nbsp;O. D. Hendrickson,&nbsp;A. V. Zherdev,&nbsp;B. B. Dzantiev","doi":"10.3103/S0027131425700014","DOIUrl":"10.3103/S0027131425700014","url":null,"abstract":"<p>Nanozymes are synthetic nanomaterials with enzyme-like catalytic activity. Since catalytic reactions occur on the surface of nanoparticles, changing their surface properties (charge, chemical composition, adsorbed molecules, etc.) is a tool for tuning the catalytic properties of nanozymes. The review provides a comparative analysis of the chemical composition of nanozymes with various catalytic activities, proposes a classification of approaches to increase the number of active sites on the surface of nanoparticles, and considers the use of nanozymes in different bioanalytical systems.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"80 2","pages":"55 - 65"},"PeriodicalIF":0.7,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944234","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
Calculation and Properties of a 3D-Molecular Shannon Entropy Using Interatomic Distance Histograms
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-05-13 DOI: 10.3103/S0027131425700051
V. Y. Grigorev, L. D. Grigoreva, O. V. Tinkov
{"title":"Calculation and Properties of a 3D-Molecular Shannon Entropy Using Interatomic Distance Histograms","authors":"V. Y. Grigorev,&nbsp;L. D. Grigoreva,&nbsp;O. V. Tinkov","doi":"10.3103/S0027131425700051","DOIUrl":"10.3103/S0027131425700051","url":null,"abstract":"<p>Interatomic distance histograms (IDHs) are used to calculate the Shannon entropies (H) of a number of molecules. Considering that the H values obtained on the basis of conventional IDHs do not adequately reflect the geometric structure of molecules, it was proposed to use modified histograms of interatomic distances by calculating interatomic distances in the range of 0–10 Å and filling zero bins with low intensity. The main structural factors affecting the H values are revealed. The possibility of using the Shannon entropy as a molecular descriptor in the development of new functional materials is studied.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"80 2","pages":"83 - 93"},"PeriodicalIF":0.7,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944228","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
Photochemistry of Methyl Formate Radical Cations in Frozen CFCl3 Matrices
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-05-13 DOI: 10.3103/S0027131425700026
M. Ya. Melnikov, O. I. Gromov, V. I. Pergushov, D. A. Pomogailo, I. D. Sorokin
{"title":"Photochemistry of Methyl Formate Radical Cations in Frozen CFCl3 Matrices","authors":"M. Ya. Melnikov,&nbsp;O. I. Gromov,&nbsp;V. I. Pergushov,&nbsp;D. A. Pomogailo,&nbsp;I. D. Sorokin","doi":"10.3103/S0027131425700026","DOIUrl":"10.3103/S0027131425700026","url":null,"abstract":"<p>A novel mechanism has been discovered for the phototransformations of methyl formate radical cations (RCs) wherein an RC that is furnished upon thermally induced 1,2-transfer of an hydrogen atom in the methyl group to the bridging oxygen atom undergoes photoinduced H<sup>+</sup> transfer to the matrix.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"80 2","pages":"66 - 69"},"PeriodicalIF":0.7,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944368","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
DFT Study of Dioxidine Oligomer Formation in the Gas Phase and CO2 Environment
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-05-13 DOI: 10.3103/S002713142570004X
A. V. Soloviev, A. Yu. Ermilov, Yu. N. Morozov, I. V. Astashova, A. V. Filinovskiy, T. I. Shabatina
{"title":"DFT Study of Dioxidine Oligomer Formation in the Gas Phase and CO2 Environment","authors":"A. V. Soloviev,&nbsp;A. Yu. Ermilov,&nbsp;Yu. N. Morozov,&nbsp;I. V. Astashova,&nbsp;A. V. Filinovskiy,&nbsp;T. I. Shabatina","doi":"10.3103/S002713142570004X","DOIUrl":"10.3103/S002713142570004X","url":null,"abstract":"<p>This study carries out calculations of molecular clusters of dioxidine and dioxidine complexes with carbon dioxide (CO<sub>2</sub>) using the density functional theory (DFT) method with B3LYP5 parameterization. Based on the obtained data, a model for the phase transition of dioxidine is developed, including the formation of triclinic and monoclinic crystal structures, utilizing a kinetic model of nucleation. The optimized structures of the molecular clusters of dioxidine correspond to the molecular packing of triclinic and monoclinic crystal forms. The energies of these clusters and the dioxidine–CO<sub>2</sub> complexes are compared with the experimental data on the phase composition of dioxidine samples during its cryochemical modification using CO<sub>2</sub> as the carrier gas.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"80 2","pages":"76 - 82"},"PeriodicalIF":0.7,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944227","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
Viscosity of Concentrated Dispersions of Spherical Particles in the Framework of a Structural Model
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-05-13 DOI: 10.3103/S0027131425700063
V. N. Matveenko, E. A. Kirsanov
{"title":"Viscosity of Concentrated Dispersions of Spherical Particles in the Framework of a Structural Model","authors":"V. N. Matveenko,&nbsp;E. A. Kirsanov","doi":"10.3103/S0027131425700063","DOIUrl":"10.3103/S0027131425700063","url":null,"abstract":"<p>Within the framework of the structural rheological model, viscosity curves are examined for four types of colloidal dispersions of spherical particles, varying in dispersity and composition of the dispersion medium. The study analyzes rheological curves using three types of coordinate axes. Rheological equations of the structural rheological model are used to approximate the data over specific shear rate intervals. At high shear rates, the experimental data align well with the generalized flow equation, indicating that aggregates disintegrate under the influence of tensile hydrodynamic forces. At low shear rates, a rheological equation accounting for additional aggregate formation due to compressive hydrodynamic forces should be applied. The coefficients (parameters) of the rheological equations for the examined colloidal dispersions are consistent with the predictions of the structural rheological model, confirming a common flow mechanism for these dispersions.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"80 2","pages":"94 - 105"},"PeriodicalIF":0.7,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944230","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
Optimization of Covalent DNA Immobilization for Contact Printing Method
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-05-13 DOI: 10.3103/S0027131425700075
A. A. Titov, A. E. Kuznetsov, N. V. Komarova
{"title":"Optimization of Covalent DNA Immobilization for Contact Printing Method","authors":"A. A. Titov,&nbsp;A. E. Kuznetsov,&nbsp;N. V. Komarova","doi":"10.3103/S0027131425700075","DOIUrl":"10.3103/S0027131425700075","url":null,"abstract":"<p>The contact printing method is widely used to create microchips and develop highly sensitive biosensors. This method is based on techniques for immobilizing biomolecules. In this work, two effective methods for covalent immobilization of oligonucleotides based on reactions of disulfide bond formation and azide–alkyne cycloaddition are optimized for the contact printing method. With both immobilization strategies, oligonucleotides retain the ability to hybridize with complementary DNA, which provides a basis for their practical use in bioanalytical applications.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"80 2","pages":"106 - 113"},"PeriodicalIF":0.7,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944229","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
Intramolecular Femtosecond Energy Conversion in Chlorosomes of Photosynthesizing Green Bacteria Chloroflexus aurantiacus
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-05-13 DOI: 10.3103/S0027131425700087
A. G. Yakovlev, A. S. Taisova, Z. G. Fetisova
{"title":"Intramolecular Femtosecond Energy Conversion in Chlorosomes of Photosynthesizing Green Bacteria Chloroflexus aurantiacus","authors":"A. G. Yakovlev,&nbsp;A. S. Taisova,&nbsp;Z. G. Fetisova","doi":"10.3103/S0027131425700087","DOIUrl":"10.3103/S0027131425700087","url":null,"abstract":"<p>In the green bacterium <i>Chloroflexus aurantiacus</i>, photosynthesis begins with light absorption by unique light-harvesting complexes known as chlorosomes. These structures consist of ~10<sup>4</sup> molecules of bacteriochlorophyll (BChl) <i>c</i>, which assemble into intricate spatial configurations. Upon absorption of blue light (~460 nm) by the B band of the chlorosome, ultrafast energy conversion occurs, resulting in the excitation of the red Q<sub><i>y</i></sub> band (~740 nm). We study this process using differential (light – darkness) absorption spectroscopy with a high temporal resolution (20 fs). The characteristic conversion time is determined to be 35 fs. Energy conversion precedes the slower exciton relaxation processes in the Q<sub><i>y</i></sub> band (100–300 fs) and the energy transfer from the chlorosome to the baseplate and subsequently to the reaction center (tens of picoseconds). The physicochemical principles underlying intramolecular energy conversion in chlorosomes and the significance of this process for photosynthesis are discussed.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"80 2","pages":"114 - 122"},"PeriodicalIF":0.7,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944231","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
Interaction of Silver Clusters with 7-Aminocholesterol: Non-Empirical Study
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-05-13 DOI: 10.3103/S0027131425700038
Ya. A. Gromova, A. V. Solovyev, A. Yu. Ermilov, T. I. Shabatina
{"title":"Interaction of Silver Clusters with 7-Aminocholesterol: Non-Empirical Study","authors":"Ya. A. Gromova,&nbsp;A. V. Solovyev,&nbsp;A. Yu. Ermilov,&nbsp;T. I. Shabatina","doi":"10.3103/S0027131425700038","DOIUrl":"10.3103/S0027131425700038","url":null,"abstract":"<p>The structures of small silver clusters (Ag<sub><i>n</i></sub>, <i>n</i> = 1–3, <i>n</i> =13) and their complexes with 7-aminocholesterol (NCh) are calculated using density functional theory with B3LYP5 parameterization. The 7-aminocholesterol ligand has two active coordination centers: lone pairs on the N- and O-atoms. Trends in the geometric structure and interaction energy of the silver–7-aminocholesterol complexes are evaluated depending on the size of the metal cluster. It is found that coordination of the metal cluster to the nitrogen atom is preferable in all cases. The most stable complex is Ag<sub>3</sub>–NCh (Ag<sub>3</sub>–(N)–NCh), for which the dissociation energy reaches 15.6 kcal/mol.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"80 2","pages":"70 - 75"},"PeriodicalIF":0.7,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944226","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
Obtaining and Studying the Properties of Highly Substituted Cationic Starches of Different Botanical Origins Crosslinked with Epichlorohydrin
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-05-13 DOI: 10.3103/S0027131425700099
S. M. Butrim, T. D. Bil’dyukevich, N. S. Butrim, V. V. Litvyak
{"title":"Obtaining and Studying the Properties of Highly Substituted Cationic Starches of Different Botanical Origins Crosslinked with Epichlorohydrin","authors":"S. M. Butrim,&nbsp;T. D. Bil’dyukevich,&nbsp;N. S. Butrim,&nbsp;V. V. Litvyak","doi":"10.3103/S0027131425700099","DOIUrl":"10.3103/S0027131425700099","url":null,"abstract":"<p>A method of one-stage cationization and crosslinking of potato and corn starches using epichlorohydrin as a crosslinking agent is developed. Samples of crosslinked cationic potato and corn starches with controlled viscosity properties are synthesized, whose aqueous dispersions exhibit pseudoplastic properties at various temperatures and degrees of crosslinking. It is found that the obtained crosslinked cationic starches retain their granular structure, and the degree of crystallinity of the samples slightly decreases regardless of the temperature (20–45°C), reaction time (24–96 h), and dose of the crosslinking agent (0.05–5.0%). It is shown that the rate of flocculation of kaolin suspensions increases with the increasing dose of the flocculant for all types of cationic starches. Regardless of the dose, the maximum sedimentation rate of kaolin in model systems is observed when using crosslinked cationic potato starch. The results obtained can be used to develop a technology for producing biodegradable crosslinked cationic starches as effective flocculants for cleaning aqueous solutions as an alternative to synthetic polyacrylamide derivatives.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"80 2","pages":"123 - 131"},"PeriodicalIF":0.7,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944233","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
Vibrational Spectra of 2-(2'-Pyridyl)imidazole in a Solid and Solutions: Experiment and Quantum-Chemistry Calculations 2-（2'-吡啶基）咪唑在固体和溶液中的振动谱：实验和量子化学计算
IF 0.7
Moscow University Chemistry Bulletin Pub Date : 2025-04-16 DOI: 10.3103/S0027131424700482
V. M. Senyavin, G. M. Kuramshina
{"title":"Vibrational Spectra of 2-(2'-Pyridyl)imidazole in a Solid and Solutions: Experiment and Quantum-Chemistry Calculations","authors":"V. M. Senyavin,&nbsp;G. M. Kuramshina","doi":"10.3103/S0027131424700482","DOIUrl":"10.3103/S0027131424700482","url":null,"abstract":"<p>FT-infrared and Raman spectra of 2-(2'-pyridyl)imidazole (2PI) in the solid state, as well as FTIR solutions spectra in carbon tetrachloride and dichloromethane, are investigated. Quantum-chemical calculations of the 2PI molecule and some of its clusters are fulfilled within several theory levels. Based on the joint analysis of the experimental and simulated data, the spectra are interpreted, taking into consideration the possibility of the formation of intermolecular hydrogen bonds.</p>","PeriodicalId":709,"journal":{"name":"Moscow University Chemistry Bulletin","volume":"80 1","pages":"14 - 19"},"PeriodicalIF":0.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143840320","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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