Browsing Physics by Author "Hathwar, V.R."

Now showing items 1-17 of 17

Biophysical insights into the binding capability of Cu(II) schiff base complex with BSA protein and cytotoxicity studies against SiHa

Maity, M.; Pramanik, U.; Hathwar, V.R.; Brandao, P.; Mukherjee, S.; Maity, S.; Maity, R.; Maity, T.; Samanta, B.C. (Heliyon. 8(11); 2022; ArticleID_e11345.)

Herein, we have explored the effects of chlorinated mononuclear Cu(II) complex upon binding with BSA protein (bovine serum albumin) and its in vitro anti-proliferative potentiality against SiHa cell. The complex was ...
Charge density and electrostatic potential of hepatitis C anti-viral agent andrographolide: An experimental and theoretical study

Manjula, S.; Kalaiarasi, C.; Pavan, M.S.; Hathwar, V.R.; Kumaradhas, P. (Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. B74; 2018; ArticleID_4981.)

Andrographolide (AGH) is a hepatitis C anti-viral agent which targets the host cell by covalently binding with the NF-K Breceptor. The experimental electron density distribution study of AGH has been carried out from ...
Combined theoretical and experimental insights on DNA and BSA binding interactions of Cu(ii) and Ni(ii) complexes along with the DPPH method of antioxidant assay and cytotoxicity studies

Acharya, P.; Kuila, A.; Pramanik, U.; Hathwar, V.R.; Brandao, P.; Mukherjee, S.; Maity, S.; Maity, T.; Maity, R.; Samanta, B.C. (RSC Advances. 13(11); 2023; 7632-7644.)

This present study delineates the syntheses, detailed characterization and anti-proliferative potential against SiHa (cervical cancer cell) of two mononuclear complexes of Cu(II) and Ni(II) using a Schiff base ligand (L) ...
Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole

Kalaiarasi, C.; George, C.; Gonnade, R.G.; Hathwar, V.R.; Kumaradhas, P. (Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 75(6); 2019; 942-953.)

Metronidazole is a radiosensitizer; it crystallizes in the monoclinic system with space group P2 sub(1) /c. The crystal structure of metronidazole has been determined from high-resolution X-ray diffraction measurements at ...
Insights from electron density analysis into the charge transfer mechanism in a photoluminescent cocrystal of phenanthrene and tetrafluoro-1,4-benzoquinone

Hathwar, V.R.; Bhowal, R.; Chopra, D. (Journal of Molecular Structure. 1208; 2020; ArticleID_127864.)

Theoretical charge density studies are performed on the photoluminescent co-crystal of phenanthrene (PHNT) and tetrafluoro-1,4-benzoquinone (TFBQ) using the multipole modelling of theoretical structure factors. The topological ...
Intrinsic vs. extrinsic STE emission enhancement in ns sup(2) ion doped metal (Cd, In) halide hybrids

Das, D.; Bakthavatsalam, R.; Hathwar, V.R.; Pallepogu, R.; Kundu, J. (Journal of Materials Chemistry C. 11(11); 2023; 3855-3864.)

Broadband emission in zero dimensional metal (Sb sup(3+), In sup(3+), Cd sup(2+), and Bi sup(3+)) halide hybrids originates from self-trapping of excitons within the metal-halide units (intrinsic STEs). Regulation of ...
Investigation of bond topological and electrostatic properties of plumbagin molecule: An experimental and theoretical charge density study

Kalaiarasi, C.; Sivanandam, M.; Suganya, S.; Christy, G.; Gonnade, R.G.; Hathwar, V.R.; Kumaradhas, P. (Journal of Molecular Structure. 1220; 2020; ArticleID_128714.)

Plumbagin is a naturally occurring derivative with several medicinal properties including antioxidants, antifungal, antimalarial, leprosy and antitumor properties; their structural and electrostatic properties are yet to ...
Low-temperature structural phase transitions in thermoelectric tetrahedrite, Cu sub(12) Sb sub(4) S sub(13) and tennantite, Cu sub(12)As sub(4)S sub(13)

Hathwar, V.R.; Nakamura, A.; Kasai, H.; Suekuni, K.; Tanaka, H.I.; Takabatake, T.; Iversen, B.B.; Nishibori, E. (Crystal Growth & Design. 19(7); 2019; 3979-3988.)

Tetrahedrite (Cu sub(12) Sb sub(4) S sub(13)) and tennantite (Cu sub(12) As sub(4)S sub(13)) crystallize in isomorphous cubic structures (I43m) at room temperature and exhibit phase transitions at 85 K and 124 K,respectively. ...
Mn sup(2+)-activated zero-dimensional metal (Cd, Zn) halide hybrids with near-unity PLQY and zero thermal quenching

Marayathungal, J.H.; Das, D.K.; Bakthavatsalam, R.; Sam, J.; Hathwar, V.R.; Pallepogu, R.; Dutta, S.; Kundu, J. (The Journal of Physical Chemistry C. 127(18); 2023; 8618-8630.)

Highly luminescent self-trapped exciton (STE)-based emission in low-dimensional antimony halide hybrids typically suffers from severe thermal quenching that limits their use in lighting applications. Interestingly, Mn ...
Pincer-ruthenium-catalyzed reforming of methanol-selective high-yield production of formic acid and hydrogen

Arora, V.; Yasmin, E.; Tanwar, N.; Hathwar, V.R.; Wagh, T.; Dhole, S.; AkshaiKumar (ACS Catalysis. 13(6); 2023; 3605-3617.)

A series of NNN pincer-ruthenium complexes of the type (sup(R2)NNN)RuCl sub(2)(CH sub(3)CN) based on bis(imino)pyridine ligands were synthesized and characterized. These pincer ruthenium acetonitrile complexes, along with ...
Quantifying weak interactions in ferroelectric and paraelectric phases of phenazine and chloroanilic acid co-crystal using experimental and theoretical electron densities

AnilKumar, G.N.; Hathwar, V.R. (Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2023; ArticleID_B79.)

The co-crystal of phenazine and chloroanilic acid is known to display paraelectric properties at room temperature. It shows a paraelectric to ferroelectric phase transition at 253 K and has an incommensurately modulated ...
Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur

Mandal, K.; Hasija, A.; Shukla, R.; Hathwar, V.R.; Chopra, D. (Physical Chemistry Chemical Physics. 25(29); 2023; 19427-19434.)

This study investigates the crystal structures of substituted thiophenes and isothiocyanates by utilizing the method of in situ cryocrystallization to gain quantitative insights into the electronic features of sulfur-centered ...
Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate

Mandal, K.; Sarkar, S.; Ghosh, P.; Hathwar, V.R.; Chopra, D. (Acta Crystallographica Section C: Structural Chemistry. 78(11); 2023; 597-605.)

The crystal and molecular structure of an organic salt, in which a 2,4,6-trimethylpyrylium cation forms a salt with a tetrafluoroborate anion, namely, 2,4,6-trimethylpyrylium tetrafluoroborate, C sub(8)H sub(11)O sup(+).BF ...
Quantitative investigation of Halogen and Hydrogen bonding in 2-Chloro, 4-X-Benzoic acids

AnilKumar, G.N.; Hathwar, V.R. (ChemistrySelect. 7(3); 2022; ArticleID_e202104338.)

The crystal structure, Hirshfeldsurface analysis, topological analysis of the electron density and total interaction energies of four compounds, 2-Chloro, 4-X-Benzoic Acids (where X=I, Br, Cl and F) have been analysed. The ...
The relevance of experimental charge density analysis in unraveling noncovalent interactions in molecular crystals

Thomas, S.P.; Dikundwar, A.G.; Sarkar, S.; Pavan, M.S.; Pal, R.; Hathwar, V.R.; GuruRow, T.N. (Molecules. 27(12); 2022; ArticleID_369.)

The work carried out by our research group over the last couple of decades in the context of quantitative crystal engineering involves the analysis of intermolecular interactions such as carbon (tetrel) bonding, pnicogen ...
Strong dopant-dopant electronic coupling in emissive codoped two dimensional metal halide hybrid

Kudlu, A.; Das, D.K.; Bakthavatsalam, R.; Sam, J.; Ray, R.; Mondal, M.; Dutta, D.; Hathwar, V.R.; Pallepogu, R.; Kundu, J. (Journal of Physical Chemistry Letters. 14(21); 2023; 4933-4940.)

Multimetallic halide hybrids are attractive for the fundamental understanding of interacting excitons. However, realizing halide hybrids that incorporate multiple heterometal centers has been synthetically challenging. ...
Structure and ionic conductivity of Na sub(3+x) Sc sub(2) Si sub(x) P sub(3-x) O sub(12) (x=0.0, 0.2, 0.4, 0.8) NASICON materials: A combined neutron diffraction, MAS NMR and impedance study

Santhoshkumar, B.; LokeswaraRao, P.; Ramanathan, K.V.; Bera, A.K.; Yusuf, S.M.; Hathwar, V.R.; Pahari, B. (Solid State Sciences. 111; 2021; ArticleID_106470.)

A knowledge of structural parameters that play a role in influencing ionic conduction is the key to the design of improved NASICON materials which have attracted significant attention in recent years as potential solid ...

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Browsing Physics by Author "Hathwar, V.R."

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