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Zeitschrift für Physikalische Chemie

Subject Areas: Physical and Theoretical Chemistry
Publisher: De Gruyter - de Gruyter
ISSN: 2196-7156
SJR: 51

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Journal Article

Frontmatter

2024 Zeitschrift für Physikalische Chemie

doi:10.1515/zpch-2024-frontmatter4
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Journal Article

Facile hydrothermally grown cobalt oxide (Co3O4) nanostructures and their electrochemical performances

Athira, Krishnakumar; Dhanapandian, Swaminathan; Suthakaran, Selvakumar; Shobika, Sivadasan; Yogalakshmi, Krishnan; Ayyar, Manikandan; Iqbal, Munawar

2024 Zeitschrift für Physikalische Chemie

doi:10.1515/zpch-2023-0440

AbstractIn this study, pure cobalt oxide (Co3O4) nanoparticles were synthesized using a simple hydrothermal approach. The effect of the reducing agent and reaction temperatures of the prepared products were examined. Co3O4 is formed in the as-synthesized sample, at reaction temperature 190 °C was...
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Journal Article

Simple co-precipitation synthesis of activated carbon-cobalt ferrite (AC-CoFe2O4) nanocomposites: enhanced photocatalytic dye degradation and antimicrobial activity

Meena, Boominathan Catherin; Dinesh, Ayyar; Ezhlilarasi, Joshua Christy; Ayyar, Manikandan; Pandiyarajan, Sabarison; Kalaivani, Semmedu Selvaraj; Muthukrishnaraj, Appusamy; Jaganathan, Saravana Kumar; Chuang, Ho-Chiao

2024 Zeitschrift für Physikalische Chemie

doi:10.1515/zpch-2023-0475

AbstractIn this present work, spinel cobalt ferrite nanoparticles (CoFe2O4 NPs) and activated carbon-CoFe2O4 nanocomposites (AC-CoFeO4 NCs) were synthesized by simple co-precipitation method and used for photocatalytic dye degradation (PCD) of rhodamine-B (Rh-B) dye. The antimicrobial study of...
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Physicochemical contrivance for exploring host-guest inclusion complex of a significant green solvent with a cyclic oligosaccharide and its innovative application optimized by computational approach

Debnath, Subhajit; Mondal, Modhusudan; Sinha, Anuradha; Roy, Niloy; Ghosh, Biswajit; Mallick, Kangkan; Rajbanshi, Biplab; Roy, Debadrita; Ray, Tanusree; Sarkar, Shukdeb; Maji, Joydeb; Roy, Mahendra Nath

2024 Zeitschrift für Physikalische Chemie

doi:10.1515/zpch-2023-0359

AbstractOur modern study is going to inspect new inclusion phenomena between the 1-butyl-2,3-dimethylimidazolium tetrafluoroborate [Bdmim]BF4 ionic liquid (IL) and the host α-Cyclodextrin (α-CD) by a 1:1 ratio and newly formed inclusion complex was further explored by the 1H-NMR, FT-IR, UV–vis...
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Vibrational spectra, effect of solvents in UV-visible, electronic properties, charge distribution, molecular interaction and Fukui analysis on 3-amino-2,5-dichloropyridine

Joseph, Deepthi; Alharbi, Naiyf S.; Abbas, Ghulam; Sambantham, Muthu

2024 Zeitschrift für Physikalische Chemie

doi:10.1515/zpch-2023-0462

AbstractFT-Raman, UV-visible, infrared Fourier transform, and DFT approaches, were used on molecule 3-amino-2,5-dichloropyridine. An extensive analysis of the vibrational distribution energy has been undertaken for the complete assignments for all the vibrations. Also carried out atoms in...
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Theoretical and experimental approach on investigation of ethylurea-water clusters

Kazachenko, Aleksandr S.; Holikulov, Utkirjon; Issaoui, Noureddine; Al-Dossary, Omar M.; Ponomarev, Ilya S.; Kazachenko, Anna S.; Akman, Feride; Bousiakou, Leda G.

2024 Zeitschrift für Physikalische Chemie

doi:10.1515/zpch-2023-0381

AbstractAlkylated urea derivatives have found wide application as starting materials for the production of many drugs, including anticancer drugs, as well as in many other areas. In this work, we studied ethylurea crystalline hydrates using a complex of theoretical and experimental methods. The...
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Molecular level interaction, electrons excitation properties, solvent effect using IEFPCM investigation, topological surface, and docking analysis of 4-pyrrolidin-2-yl-pyridine

Barathan, Uma; Selvaraj, Selvakumari; Kadaikunnan, Shine; Abbas, Ghulam; Sambantham, Muthu

2024 Zeitschrift für Physikalische Chemie

doi:10.1515/zpch-2023-0481

AbstractOptimisation of molecular geometry of the headline compound, 4-pyrrolidin-2-yl-pyridine (4P2YLP) was achieved theoretically exercising Density Functional Theory using B3LYP standard approach utilising basis set, 6-311++G(d,p). Using Gaussian 09, HOMO–LUMO analysis was achieved to...
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Synthesis, DFT, in-silico molecular docking, molecular dynamic simulation and ADMET studies of (Z)-2,6-bis(4-bromophenyl)-3,3-dimethyl-4-(2-(2,4,6-trichlorophenyl) hydrazono) piperidine derivatives against the SARS-CoV-2 main-protease

Lorin, Solo; Dhanakotti, Rajaraman; Selvam, Sonadevi; Jaganathan, Ramakrishnan; Kumaradhas, Poomani; Nagaraj, Karuppiah; Kaliyaperumal, Raja

2024 Zeitschrift für Physikalische Chemie

doi:10.1515/zpch-2023-0397

AbstractNowadays, over 200 countries face a wellbeing emergency because of epidemiological disease COVID-19 caused by the SARS-CoV-2 virus. It will cause a very high effect on the world economy and the worldwide health sector. The present work is an investigation of the newly synthesized...
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Unraveling the inhibitory potential of fatty acids from Cola lepidota seed against monoclonal antibody Fab fragment (9F8) (3VG0) leptin antagonism and restoration of ‘satiety’ in obesity condition: insight from quantum chemical analysis, pharmacokinetics, and molecular docking

Godfrey, Obinna C.; Adindu, Eze A.; Edet, Uwem O.; Mbim, Elizabeth N.; Eze, Gabriel C.; Asogwa, Fredrick C.; Benjamin, Innocent; Gber, Terkumbur E.; Timothy, Rawlings A.; Louis, Hitler

2024 Zeitschrift für Physikalische Chemie

doi:10.1515/zpch-2023-0357

AbstractObesity represents a significant global health issue that continues to escalate in prevalence. Interestingly, there is a less explored connection between obesity and compromised leptin function. Prior studies have highlighted the limited availability of drugs to address this issue hence,...

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