Papers by Ganga Periyasamy
Sensors & diagnostics, 2023
A two dimensional (2D) redox active donor-acceptor COF made of triphenylamine (TPA) and naphthale... more A two dimensional (2D) redox active donor-acceptor COF made of triphenylamine (TPA) and naphthalenediimide (NDI) acted as an efficient hydrogen chemisresistor and performed better than traditional metal oxides. Calculations have shown that the charge transfer interaction between H 2 and an NDI linker through a carbonyl functionality enables a change in the resistance of the material upon exposure to H 2 gas.
ACS pharmacology & translational science, Aug 17, 2022
Zeitschrift für anorganische und allgemeine Chemie, Aug 25, 2015
All the known polymorphs of Al(OH)3 comprise a stacking of charge neutral layers having the compo... more All the known polymorphs of Al(OH)3 comprise a stacking of charge neutral layers having the composition [Al2/3□1/3(OH)2] (□: cation vacancy) and designated by the symbol P. Employing a single Al(OH)3 layer (layer group p121/a1) as a structural synthon, the energy profile computed for the translations of P and $\bar{P}$ ($\bar{P}$: mirror image of P) layers relative to each other within a bilayer model, not only show minima corresponding to the four known polymorphs of Al(OH)3 but also predict three new polymorphs with energy minima at the stacking vectors (7/10, 5/18, 1) (polymorph B1), (1/2, 0, 1) (polymorph B2) and (2/5, 1/9, 1) (polymorph B4). Of these B1 and B2 are 0.30 eV and 0.23 eV below the energy of bayerite (B3), but 0.30 eV and 0.37 eV above the global minimum which corresponds to gibbsite. B4 is only 0.08 eV above the energy of bayerite. This quantitative structural synthon approach offers B1, B2, and B4 as legitimate targets for future synthetic efforts.
ACS Sustainable Chemistry & Engineering, Jan 31, 2023
Journal of Solid State Chemistry, 2023
Acta Crystallographica Section E-structure Reports Online, Oct 10, 2007
N 0 0 0-(Diphenylmethylene)-3-(3-nitrophenyl)-1 0 0 0 ,3 0 0 0-dioxospiro[cyclopropane-2 0 0 0-in... more N 0 0 0-(Diphenylmethylene)-3-(3-nitrophenyl)-1 0 0 0 ,3 0 0 0-dioxospiro[cyclopropane-2 0 0 0-indan]-2-carbohydrazide
Social Science Research Network, 2022
Catalysis Science & Technology, 2022
Carbon dissolution in Ni lattices decreased the interaction of alkenes with the catalyst surface ... more Carbon dissolution in Ni lattices decreased the interaction of alkenes with the catalyst surface and gave an elusive combination of full phenyl acetylene conversion and high styrene selectivity (92 ± 1%) under continuous flow conditions.
Processes, Dec 15, 2020
Many potential uses of carbon nanotubes (CNT) in various sectors have created an urge to assess t... more Many potential uses of carbon nanotubes (CNT) in various sectors have created an urge to assess their diverse range of properties pertaining to various applications like catalysis, biosensor, and antimicrobial activity. Increasing studies on the biosensor and antibacterial activity of CNT have prompted tremendous interest in the utilization of the carbon-based nanostructured material as an alternative to currently existing antibiotics. However, the study of bactericidal aspects of this nanomaterial is relatively new and hence the deeper understanding of the various physicochemical characteristics and antimicrobial nature of CNT is extremely wanted. This review covers the effect of framework substitution and explains the understanding of membrane disintegration and oxidative stresses upon nanomaterials for antimicrobial activity. The present article has also reviewed effect of preparation nanoparticle deposition and framework modification on carbon nanotube structure. The recent research on graphene-modified nanomaterials for biosensor applications related to healthcare/clinical applications have also been discussed. Major physicochemical contributing factors such as size, functionalization, high surface area, and aggregation features of CNT assisting in the bacterial killing have nicely been outlined. Hence, the present review explains the supporting information related with Single and multi-walled carbon nanotube and summarized the advantages of functionalized carbon nanotube/graphene-based nanostructured carbon-based materials towards protection and reduction of bacterial/viral infections in the healthcare sector.
Asian Journal of Organic Chemistry
Journal of Molecular Structure
Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on ... more Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre-including this research content-immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
Journal of Molecular Structure
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021
This work aims to understand the origin of the electronic spectra of Fe3+ (d5), Cr3+ (d3), and V3... more This work aims to understand the origin of the electronic spectra of Fe3+ (d5), Cr3+ (d3), and V3+ (d2) containing jarosites. The electronic spectrum of the Fe-jarosite is currently assigned to spin forbidden transitions. This work shows that the spectra essentially arise due to the tetragonal distortion of the coordination symmetry of the Fe3+ ion in the jarosite crystal, and thereby obviates the need for invoking spin forbidden transitions. The absorption spectra of Cr- and V-jarosite are also assigned to transitions predicted for the tetragonal distortion of the metal ion coordination. The electronic term symbols are worked out using the correlation diagram and Tanabe-Sugano diagram for orbital splitting for all three systems employing ab initio and DFT methods. The bandgaps were computed and corroborated with the experimentally measured values to support the low symmetry at the metal center.
Processes, 2020
Many potential uses of carbon nanotubes (CNT) in various sectors have created an urge to assess t... more Many potential uses of carbon nanotubes (CNT) in various sectors have created an urge to assess their diverse range of properties pertaining to various applications like catalysis, biosensor, and antimicrobial activity. Increasing studies on the biosensor and antibacterial activity of CNT have prompted tremendous interest in the utilization of the carbon-based nanostructured material as an alternative to currently existing antibiotics. However, the study of bactericidal aspects of this nanomaterial is relatively new and hence the deeper understanding of the various physicochemical characteristics and antimicrobial nature of CNT is extremely wanted. This review covers the effect of framework substitution and explains the understanding of membrane disintegration and oxidative stresses upon nanomaterials for antimicrobial activity. The present article has also reviewed effect of preparation nanoparticle deposition and framework modification on carbon nanotube structure. The recent rese...
Theoretical Chemistry Accounts, 2020
Peptidomimetics are the synthetic analogous of the natural peptides that can act as signal transd... more Peptidomimetics are the synthetic analogous of the natural peptides that can act as signal transductors and transfer electrons through intra-and inter-molecular H-bonding interactions. The explicit interaction of the mimetics with aqueous media has been studied using density functional theoretical methods. Along with the complete solvation environment, the local solvation has been considered to understand the importance of weak interactions at each functional unit labeled as donor, acceptor or bridge based on the population analysis. The computations show that among the locally solvated models, linear ureidopeptides show a variation in the electronic structure, stabilization energies, charge distribution, charge transfer after excitation and hole migration after ionization which is dependent on the location of water molecules either at amino, carboxylate ends or on the alkyl bridge. The time scale for hole migration is faster if the water molecules interact with the amino end wherein the contribution of water is evident from the plots. It is also perceived that the peptides under a complete solvation environment mimic the characteristics of a local solvation at the amino or donor end.
Chemical Physics, 2019
This is a PDF file of an article that has undergone enhancements after acceptance, such as the ad... more This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.
ChemistrySelect, 2017
Molecular switches based on various isomers of selenoxo peptides and peptide À selenoxo peptide h... more Molecular switches based on various isomers of selenoxo peptides and peptide À selenoxo peptide hybrids have been studied using DFT methods. The conformers are found to switch structures differently with respect to the position of selenoxo bond either at amino or carboxylate end of peptides in response to cationization. The switch is reversible and controllable, which has been monitored using computed vibrational data and NMR chemical shift values. More preferably, switching can be probed using C À N stretching frequencies of both states. Further, the conformational change during oxidation might explain the role of selenoxo peptides in biological systems.
Acta Crystallographica Section E-structure Reports Online, 2007
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Papers by Ganga Periyasamy