Search Results - "Lokanath, N.K."

Gallic acid-butyramide monohydrate cocrystal: Crystal growth, Structural insights, Theoretical calculations and Molecular docking studies against COVID-19 main protease by Jyothi, K.L., Hema, M.K., Kumara, Karthik, Lokanath, N.K.

“…Single crystal X-ray diffraction is the only experimental technique available to elucidate the complete three-dimensional structure of the samples at molecular…”
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Synthesis, Jahn-Teller labeled via crystal structure in trans-(ClO4)2CuII(Me2N-Py)4 complex: S9/S6/C-H…O synthons, thermal, physicochemical and 1BNA-docking by AlAli, A., AlObaid, A., Chethan, B.S., Shalalin, K., Alzeqri, N., Alkanad, K., Lokanath, N.K., Zarrouk, A., Warad, I., Khanum, S.A.

“…The synthesis of the trans-(ClO4)2CuII(Me2N-Py)4 complex (where Me2N-Py = N,N-dimethylpyridin-4-amine ligand) in significant yield involved the reaction of…”
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Synthesis, structural characterization and biological properties of phosphorescent iridium(III) complexes by Bhat, Satish S., Shivalingegowda, Naveen, Revankar, Vidyanand K., Lokanath, N.K., Kugaji, Manohar S., Kumbar, Vijay, Bhat, Kishore

“…Two phosphorescent cyclometalated iridium(III)-triptycenyl-1,10-phenanthroline complexes [Ir(ppy)2(tpt-phen)]+ (1) and [Ir(bhq)2(tpt-phen)]+ (2)…”
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Nickel vanadate nitrogen-doped carbon nanocomposites for high-performance supercapacitor electrode by Almotairy, Awatif Rashed Z., Al-Maswari, Basheer M., Alkanad, Khaled, Lokanath, N.K., Radhika, R.T., Venkatesha, B.M.

“…A nickel-vanadium-based bimetallic precursor was produced using the polymerization process by urea-formaldehyde copolymers. The precursor was then calcined at…”
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Multicomponent synthesis, structural and molecular dynamics simulation studies of a novel spirooxindole derivative by Mahesha, Sapnakumari, Majal, Chethan, B.S., Jinkle, Thomas, Deepa Urs, M.V., Lingegowda, N.S., Lokanath, N.K., Naveen, S.

“…The 4′-(4-chlorobenzoyl)-3,-(2,6-dichlorophenyl)-1′-methylspiro(indole-3,2′-pyrrolidin)-2(1H)-one (SOD1) compound has been synthesized and the single crystals…”
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Crystal structure, DFT, molecular docking and dynamics simulation studies of 4,4-dimethoxychalcone by Gowda, M.V. Yashwanth, Vinay, B.L., Maitra, N., Kumaraswamy, S.R., Lokanath, N.K.

“…In the current study, the compound 4,4-dimethoxychalcone (DMC) was structurally studied and analyzed by in silico approach against Mpro to investigate its…”
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Synthesis, crystal structure and excellent photoluminescence properties of copper (II) and cobalt (II) complexes with Bis(1[(4-butylphenyl)imino]methyl naphthalen-2-ol) Schiff base by Nagaveni, V.B., Mahadevan, K.M., Vijayakumar, G.R., Nagabhushana, H., Naveen, S., Lokanath, N.K.

“…Copper (II) and Cobalt (II) metal complexes (4a- and 4b-complexes) using Schiff base ligand 1-[(4-butylphenyl)imino]methyl naphthalen-2-ol (3) have been…”
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Pyridine solvated dioxouranium complex with salen ligand: Synthesis, characterization and luminescence properties by Azam, Mohammad, Al-Resayes, Saud I., Trzesowska-Kruszynska, Agata, Kruszynski, Rafal, Adil, S.F., Lokanath, N.K.

“…A new derivative of dioxouranium(VI) salen complex, [UO2(L)(pyridine)], where [L = N,N′-Bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine] is…”
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Solid state and Computational studies of Ambroxol hydrochloride drug by MANJUNATHA, N.K., KUMAR, S. MADAN, SWAMY, M.T., SIDDARAJU, B.P., LOKANATH, N.K.

“…The title compound Ambroxol hydrochloride salt or 4-[(2-amino-3, 5-dibromophenyl) methyl amino] cyclohexan-1-olhydrochloride (A) have been crystallized,…”
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Synthesis, spectral, X-ray single structure, DFT calculations and antimicrobial activities of [Co(II)X2 (dmphen)] (X=Br and SCN−) by Al-Noaimi, Mousa, Awwadi, Firas F., Haddad, Salim F., Talib, Wamidh H., Jodeh, Shehdeh, Radi, Smaail, Ben Hadda, Taibi, Abdoh, Muneer, Naveen, S., Lokanath, N.K., Warad, Ismail

“…[Display omitted] •Two cobalt(II) complexes of type [Co(X)2(dmphen)] (X=Br, NCS) were synthesized.•Antimicrobial properties of these complexes were…”
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Synthesis, crystal structure and photoluminescence study of green light emitting bis(1[(4-butylphenyl)imino]methyl naphthalen-2-ol) Ni(II) complex by Srinivas, M., Shrungesh Kumar, T.O., Mahadevan, K.M., Naveen, S., Vijayakumar, G.R., Nagabhushana, H., Kumara, M.N., Lokanath, N.K.

“…Synthetically feasible and cost effective Ni(II) complex phosphor (4) as green organic light emitting diode (OLED) was prepared by using Schiff base…”
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Crystal structure and hirshfeld surface analysis of 4-Methoxy-2-nitrobenzonitrile by Prabhuswamy, M., Dinesha, Ajay Kumar, K., Nagaraja, G.K., Lokanath, N.K.

“…The title molecule, C8H6N2O3 is crystallized in the monoclinic crystal system with the space group P21/c and with unit cell parameters a=6.326(2)Å,…”
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1-(3,5-Difluorophenyl)-4,4,4-trifluorobutane-1,3-dione by Manoj Kumar, K.E., Palakshamurthy, B. S., Suchetan, P. A., Madan Kumar, S., Lokanath, N.K., Sreenivasa, S.

“…In the title compound, C 10 H 5 F 5 O 2 , the C=O bonds are syn to one another. In the crystal, molecules are linked into C (9) chains parallel to [101]…”
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Study of the crystal structure, H-bonding and noncovalent interactions of novel cocrystal by systematic computational search approach by Chethan, B.S., Lokanath, N.K.

“…•Investigation of novel cocrystal using single crystal X-ray diffraction technique.•The structural studies are corroborated well with the DFT analysis.•NBO and…”
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Molecular structure, Hirshfeld surface and density functional theoretical analysis of a NLO active chalcone derivative single crystal—A quantum chemical approach by Shruthi, C., Ravindrachary, V., Guruswamy, B., Prasad, D. Jagadeesh, Goveas, Janet, Kumara, Karthik, Lokanath, N.K.

“…•Synthesis of novel NLO active thienyl chalcone and growth of single crystal has been carried out using slow solvent evaporation technique.•Linear and…”
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Synthesis, molecular structure, Hirshfeld surface, energy framework and DFT studies of 1,3,4 oxadiazole derivative by Lohith, T.N., Shamanth, S., Sridhar, M.A., Mantelingu, K., Lokanath, N.K.

“…•Single crystal structure was confirmed by X-ray diffraction method and the coordinates were optimized with DFT calculations.•Hirshfeld surface analysis and…”
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Generation, characterization and molecular binding mechanism of novel dipeptidyl peptidase-4 inhibitory peptides from sorghum bicolor seed protein by Majid, Abdul, Lakshmikanth, M., Lokanath, N.K., Poornima Priyadarshini, C.G.

“…[Display omitted] •Sorghum protein hydrolysates (SPH) inhibit dipeptidyl peptidase 4 (DPP-4) in vitro.•Three novel peptides identified in SPH showed potential…”
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Nanomolar pyrophosphate detection in water using a zinc-terpyridine receptor and its applications in antiproliferative and antioxidant activity by Das, Dipankar, Sarkar, Parnashabari, Kumar, A.H. Udaya, Sutradhar, Sourav, Kotakonda, Muddukrishnaiah, Lokanath, N.K., Ghosh, Biswa Nath

“…[Display omitted] •Synthesis of novel fluorescent 4′-(3,4-diethoxyphenyl)-2,2′:6′,2′'-terpyridine ligand L.•Utilization of in-situ prepared ZnCl2L receptor for…”
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Three novel coumarin-benzenesulfonylhydrazide hybrids: Synthesis, characterization, crystal structure, Hirshfeld surface, DFT and NBO studies by Chethan Prathap, K.N., Lokanath, N.K.

“…Cytotoxic and many more interesting biological properties of coumarin derivatives make them an important class of heterocyclic compounds of pharmaceutical…”
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Dinuclear copper(II) complexes bridged with acetate and nitrate anions: Study of protein binding and in-vitro anticancer activity by Shaikh, Sabiha A., Bhat, Satish S., Revankar, Vidyanand K., Naveen, S., Mahesha, Lokanath, N.K., Kumbar, Vijay

“…[Display omitted] •Dinuclear copper complexes containing N-(3-pyridyl)-1,8-naphthalimide ligand has been synthesized.•Complexes have distorted square planar…”
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