Russian Journal of Physical Chemistry B最新文献_第2页

Promising Membrane Materials, Their Manufacturing Method, and Their Properties 前景广阔的膜材料及其制备方法和性能

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-04-21 DOI: 10.1134/S1990793124701586

I. D. Kraev, N. M. Sklyarevskya, A. A. Kraeva, S. B. Bibikov, G. V. Amirdjanyan, M. A. Sevostianov

引用次数: 0

A Green Ultrasound-Assisted Synthesis of a New Poly (Thiourea–Amide) and Its Application in the Removal of Pb(II) Ions from an Aqueous Solution 绿色超声辅助合成新型聚硫脲酰胺及其去除水溶液中铅（II）离子的研究

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-04-21 DOI: 10.1134/S1990793124701598

W. A. Radhi, T. E. Jasim, A. M. Jassem

{"title":"A Green Ultrasound-Assisted Synthesis of a New Poly (Thiourea–Amide) and Its Application in the Removal of Pb(II) Ions from an Aqueous Solution","authors":"W. A. Radhi, T. E. Jasim, A. M. Jassem","doi":"10.1134/S1990793124701598","DOIUrl":"10.1134/S1990793124701598","url":null,"abstract":"In this work, a facial ultrasound technique was employed to synthesize of poly(N1-ethanethioyl-N3-((6-(methylamino)pyridin-2-yl)carbamothioyl)isophthalamide) as a new polymer from a condensation reaction of 2,6-diaminopyridine and isophthaloyl diisothiocyanate. Different techniques were utilized to prove the chemical structure of the synthesized polymer, including Fourier transform infrared spectroscopy, proton nuclear magnetic resonance spectroscopy, thermal gravimetric analysis, Brunauer–Emmett–Teller, and field emission scanning electron microscopy. The capability of the synthesized polymer to adsorb Pb(II) ions from an aqueous solution was analytically evaluated. The change of several parameters including temperature, pH, contact time, and Pb(II) ions concentration on adsorption process into target polymer was extensively investigated. The results indicated that the optimal adsorption pH was about 6 with the removal efficiency of 84.954% and the adsorbed amount of Pb(II) ions increased with raising temperature. The adsorption isotherms analysis revealed that the Langmuir model was the most relevant to describe the adsorption process compared with the Freundlich model. The study of adsorption kinetics showed that the adsorption model of Pb(II) ions on the surface of target polymer being significantly correlated with pseudo-second-order model. Based on the thermodynamic studies, the calculated enthalpy was endothermic, free energy was negative, and entropy was positive, verifying that the adsorption process is spontaneous.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 1","pages":"111 - 121"},"PeriodicalIF":1.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856507","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

Curcumin Adsorption on the Surface of Carbon Nanocone: a Computational Study 姜黄素在碳纳米锥表面吸附的计算研究

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-04-21 DOI: 10.1134/S1990793124701653

D. Badrzadeh, R. Ahmadi, S. Sheshmani, S. K. Moghadam, A. S. Shahvelayati

{"title":"Curcumin Adsorption on the Surface of Carbon Nanocone: a Computational Study","authors":"D. Badrzadeh, R. Ahmadi, S. Sheshmani, S. K. Moghadam, A. S. Shahvelayati","doi":"10.1134/S1990793124701653","DOIUrl":"10.1134/S1990793124701653","url":null,"abstract":"In this research, the performance of carbon nanocone as a nanocarrier for the targeted drug delivery of curcumin was investigated by density functional theory, infra-red, frontier molecular orbital and atom in molecule computations. The achieved results showed the interaction of curcumin with carbon nanocone is experimentally feasible. The calculated thermodynamic parameters showed curcumin adsorption process is spontaneous, exothermic and two sided. The impact of temperature and solvent on the interactions was also checked out and the results showed the presence of water as the solvent does not affect the interactions. Besides, by increasing of temperature curcumin interactions with adsorbent become weaker indicating carbon nanocone can be employed as a temperature sensitive drug carrier. The increasing of dipole moment and also the decline of chemical hardness and bandgap showed when curcumin adsorbs on the surface of carbon nanocone its chemical reactivity and bioavailibity improves substantially. The atom in molecule results demonstrated curcumin interaction with carbon nanocone has a physisorption nature.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 1","pages":"193 - 199"},"PeriodicalIF":1.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856656","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

Mobility of Alkyl Ligands Grafted on Separon SGX Silica Gel When Interacting with Deuterated Solvents 接枝在SGX硅胶上的烷基配体与氘化溶剂相互作用时的迁移率

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-04-21 DOI: 10.1134/S1990793124701562

S. B. Bibikov, A. I. Sergeev, I. I. Barashkova, M. V. Motyakin

引用次数: 0

Molecular Structure Study of Decorated Boron Nitride Systems with Transition Metals (Cr, Ni, Zn, Mo, Pd, Cd) for Boosting Hydrogen Sorption: Nanomaterials Insight into Battery Technology 过渡金属（Cr, Ni, Zn, Mo, Pd, Cd）修饰氮化硼体系促进氢吸附的分子结构研究：纳米材料在电池技术中的应用

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-04-21 DOI: 10.1134/S1990793124701501

F. Mollaamin, M. Monajjemi

{"title":"Molecular Structure Study of Decorated Boron Nitride Systems with Transition Metals (Cr, Ni, Zn, Mo, Pd, Cd) for Boosting Hydrogen Sorption: Nanomaterials Insight into Battery Technology","authors":"F. Mollaamin, M. Monajjemi","doi":"10.1134/S1990793124701501","DOIUrl":"10.1134/S1990793124701501","url":null,"abstract":"This article wants to investigate the hydrogen storage increase through doping of the first and the second row of transition metals including Cr, Ni, Zn, Mo, Pd, Cd on the boron nitride nanocage (BNNc) has been investigated using density functional theory. The partial density of states (PDOS) can evaluate a determined charge assembly between hydrogen molecules and (Cr, Ni, Zn, Mo, Pd, Cd) → BNNc which indicates the competition among dominant complexes of transitions metals. Based on NQR analysis, nickel, and palladium with atomic charges of 0.2658 and 0.3266 coulomb on the complexes of Ni–BNNc and Pd–BNNc, respectively, have shown much more tendency for H2 adsorption than other complexes. Furthermore, the reported results of NMR spectroscopy have exhibited that the yield of electron accepting for doping atoms on the (Cr, Ni, Zn, Mo, Pd, Cd)–BNNc through H2 adsorption can be ordered as: Ni > Pd ( gg ) Cr > Mo ≈ Zn > Cd. Regarding thermodynamic properties, it has been indicated that for a given number of hydrogen donor sites in H2 molecules, the stabilities of complexes owing to doping atoms of Cr, Ni, Zn, Mo, Pd, Cd can be considered as: Ni–BNNc > Pd–BNNc ( gg ) Cr–BNNc > Mo–BNNc ≈ Zn–BNNc > Cd–BNNc complexes. Our findings prepare important visions into the potential of employing (Cr, Ni, Zn, Mo, Pd, Cd)–BNNc nanocages in hydrogen-based energy-storage approaches. Thus, the transition metal doped BNNc can be used for designing novel materials for H2 adsorption and sensing applications.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 1","pages":"1 - 20"},"PeriodicalIF":1.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856513","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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Explosive Synthesis of TiO2/rGO Composites and their Photocatalytic Properties 爆炸性合成TiO2/rGO复合材料及其光催化性能

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-04-21 DOI: 10.1134/S1990793124701768

Hong Yan Liu, Xin Yang Zheng, Shi Kai Zhao, Xiao Fei Zhang, Yanli Zhang, Mingli Jiao

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Recent Advances in the Synthesis of Self Organised TiO2 Nanotubes Layers using a Novel Heterocycle Compound in the Electrolyte 新型杂环化合物在电解质中合成自组织二氧化钛纳米管层的研究进展

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-04-21 DOI: 10.1134/S199079312470177X

Y. Abdi, R. Cheggou, D. Siziani, K. Ferhah, S. Rafai, K. Beyaz, R. Abbar, Y. Bakhti

{"title":"Recent Advances in the Synthesis of Self Organised TiO2 Nanotubes Layers using a Novel Heterocycle Compound in the Electrolyte","authors":"Y. Abdi, R. Cheggou, D. Siziani, K. Ferhah, S. Rafai, K. Beyaz, R. Abbar, Y. Bakhti","doi":"10.1134/S199079312470177X","DOIUrl":"10.1134/S199079312470177X","url":null,"abstract":"The study investigates the anodization parameters affecting the fabrication of TiO2 nanotubes using a novel organic electrolyte containing an enaminone heterocycle compound dissolved in dimethyl sulfoxide and Fluoric Acid at different water content (0, 5, 10, 20%). The evolution of nanotube morphology in freshly prepared and previously used electrolyte is investigated using scanning electron microscopy and Energy Dispersive Spectroscopy. The so-obtained nanostructure showed a clear spiral shape achieved in a merely 4 h of anodisation time. Previous work of Yoriya et al. Shokufar et al. reported a similar spiral morphology, in similar conditions, but obtained in an anodisation time of 40 h. The results showed that the addition of enaminone compound to the electrolyte increased the conductivity of electrolytes, and then promoted the growth of nanotubes in a shorter time with improving the properties. In addition, an insight into interaction and solvation effect in the anodization electrolyte, particularly elucidating how electrolyte history has a strong effect on the anodization process.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 1","pages":"264 - 270"},"PeriodicalIF":1.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856540","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

Modeling of Hydrogen and Oxygen Adsorption on Gold, Copper, Nickel, Platinum and Palladium Nanoparticles Deposited on Graphite Support with Different Defects 不同缺陷石墨载体上沉积金、铜、镍、铂和钯纳米粒子对氢和氧的吸附模拟

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-04-21 DOI: 10.1134/S1990793124701616

E. I. Rudenko, N. V. Dohlikova, A. K. Gatin, M. V. Grishin

{"title":"Modeling of Hydrogen and Oxygen Adsorption on Gold, Copper, Nickel, Platinum and Palladium Nanoparticles Deposited on Graphite Support with Different Defects","authors":"E. I. Rudenko, N. V. Dohlikova, A. K. Gatin, M. V. Grishin","doi":"10.1134/S1990793124701616","DOIUrl":"10.1134/S1990793124701616","url":null,"abstract":"In order to study in more detail the adsorption of hydrogen and oxygen on the surface of gold, copper, nickel, platinum and palladium nanoparticles deposited on graphite supports, quantum chemical modeling within the framework of density functional theory was carried out, as a result of which the bonding energies of metal clusters on graphite with different defects with atomic hydrogen and oxygen were calculated, and the changes in the density of states of metal atoms upon interaction with these adatoms were studied. A greater decrease in density of states was found for adsorption of O at the interface of the copper cluster, H at the interface and O at the top of the gold cluster, respectively. The platinum cluster has the most active top. For the palladium cluster, the whole surface is reactive at hydrogen adsorption and has more stable adsorption site on interface at oxygen adsorption. Oxygen adsorption on nickel cluster is much more stable than hydrogen adsorption. All the above conclusions are in agreement with the results of experimental studies.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 1","pages":"134 - 154"},"PeriodicalIF":1.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856657","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 and Thermodynamic Characteristics of Starches from Near-Isogenic and Substituted Wheat Lines 近等基因小麦系和替代小麦系淀粉的结构和热力学特性

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-04-21 DOI: 10.1134/S1990793124701574

L. A. Wasserman, A. V. Krivandin, O. V. Shatalova, A. G. Filatova, A. I. Sergeev, V. G. Vasil’ev, E. I. Gordeeva, O. Y. Shoeva, V. G. Goldshtein, I. G. Plashchina

{"title":"Structural and Thermodynamic Characteristics of Starches from Near-Isogenic and Substituted Wheat Lines","authors":"L. A. Wasserman, A. V. Krivandin, O. V. Shatalova, A. G. Filatova, A. I. Sergeev, V. G. Vasil’ev, E. I. Gordeeva, O. Y. Shoeva, V. G. Goldshtein, I. G. Plashchina","doi":"10.1134/S1990793124701574","DOIUrl":"10.1134/S1990793124701574","url":null,"abstract":"The results of studies of the morphology, thermodynamic, and physicochemical properties of starches extracted from grains of soft wheat lines carrying recombinant regions in chromosomes 2A and 7D and the foreign chromosome 4Th of wheatgrass containing genes that control the synthesis of anthocyanin compounds in wheat grain are presented. The presence of recombinant regions in the genome of the studied lines is shown to promote the formation of starch granules of a more regular rounded shape compared to starch from the maternal wheat line Saratovskaya 29 and contributes to an increase of the fraction of larger granules (A-type granules). It is found that the polymorphic structure in all the studied starches does not change and is characterized by the A-type. The thermodynamic parameters of amylopectin melting in wheat starches carrying recombinant chromosome regions and foreign wheatgrass chromosomes have increased compared to the corresponding parameters for starch from the Saratovskaya 29 maternal line, which is accompanied by the formation of a greater number of structurally ordered structures. Recombinant regions in chromosomes have caused an increase in the complex dynamic elastic modulus of starch gel compared to starch gel from maternal wheat. Aqueous gels from wheat starches carrying recombinant regions and foreign wheatgrass chromosomes are characterized by different rates of chemical exchange of water protons when interacting with hydroxyl protons in starch gels.","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 1","pages":"91 - 103"},"PeriodicalIF":1.4,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856484","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

X-ray Diffraction and IR-Spectroscopic Study of Poly-p-Xylylene-Cadmium Sulfide Nanocomposite Films 聚对二甲苯-硫化镉纳米复合膜的x射线衍射和红外光谱研究

IF 1.4 4区化学

Russian Journal of Physical Chemistry B Pub Date : 2025-04-21 DOI: 10.1134/S1990793124701604

O. P. Ivanova, A. V. Krivandin, A. A. Piryazev, S. A. Zav’yalov

引用次数: 0