364 results on '"Sert, Yusuf"'
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2. Correction to: Synthesis of novel carbazole hydrazine‑carbothioamide scaffold as potent antioxidant, anticancer and antimicrobial agents
3. Synthesis of novel carbazole hydrazine-carbothioamide scaffold as potent antioxidant, anticancer and antimicrobial agents
4. Designing a new bio-active copper(II)-triazole ester type complex based on copper(II)-catalyzed reaction
5. The DFT and in-silico analysis of 2,2′-((1e,1′e)-((3,3′-dimethyl-[1,1′-biphenyl]−4,4′ diyl)bis(azanylylidene))bis(methanylylidene))diphenol molecule
6. Synthesis, Crystal Structure, Hirshfeld Surface Analysis, Molecular Docking, IR Spectroscopy and DFT Calculations of a Novel 2D Layered Hybrid Compound (C6H10N3O)2Cu2Cl6
7. Synthesis of new N-alkylated 6-bromoindoline-2.3-dione derivatives: Crystal structures, spectroscopic characterizations, Hirschfeld surface analyses, molecular docking studies, DFT calculations, and antibacterial activity
8. Synthesis, biological evaluation and molecular docking of novel pyrazole derivatives as multitarget acetylcholinesterase and carbonic anhydrase inhibitors
9. Designing of two new cadmium(II) complexes as bio-active materials: Synthesis, X-ray crystal structures, spectroscopic, DFT, and molecular docking studies
10. Synthesis of novel pyrazole-4-carboxylates by rearrangement reaction: Experimental and theoretical characterization
11. Heterojunction solar cell based on donor–acceptor pi-conjugated naphthalene bisbenzimidazole, perylene bisbenzimidazole, and naphthalene imidazole: A spectroscopic, microscopic and DFT assessment
12. Design, synthesis, characterization, antioxidant, antiproliferative activity and molecular docking studies of new transition metal complexes of 1,2,4-triazole as combretastatin A-4 analogues
13. A quinoline-benzotriazole derivative: Synthesis, crystal structure and characterization by using spectroscopic, DFT and molecular docking methods
14. Synthesis and biological studies of pyrimidine derivatives targeting metabolic enzymes
15. Experimental and computational studies of 1,5-diphenyl-pyrazole-3-carboxamide compounds as potential Cannabinoid receptor type 1
16. Utilization of pyrazole-perimidine hybrids bearing different substituents as corrosion inhibitors for 304 stainless steel in acidic media
17. Tautomeric, spectroscopic, electronic and NLO analyses of purpald (4-amino-3-hydrazino-5-mercapto-1,2,4-triazole)
18. Synthesis, DFT study, molecular docking and drug-likeness analysis of the heteroaryl substituted new pregnenolone derivatives
19. Acesulfame based Co(II) complex: Synthesis, structural investigations, solvatochromism, Hirshfeld surface analysis and molecular docking studies
20. Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches
21. Synthesis and inhibition profiles of N-benzyl- and N-allyl aniline derivatives against carbonic anhydrase and acetylcholinesterase – A molecular docking study
22. New tetrazoles compounds incorporating galactose moiety: Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, molecular docking studies, DFT calculations and anti-corrosion property anticipation
23. Synthesis, spectroscopic characterization, DFT, molecular docking and in vitro antibacterial potential of novel quinoline derivatives
24. A research on structural vibrational, surface characterization of 2-methyl-3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4H-pyrido[1,2-a]pyrimidin-4-one hydrate: SCXRD, FT-IR, MEP, Hirshfeld and molecular docking studies
25. 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies
26. New alkyl (cyclohexyl) 2-oxo-1-(prop‑2-yn-1-yl)-1, 2-dihydroquinoline-4-carboxylates: Synthesis, crystal structure, spectroscopic characterization, hirshfeld surface analysis, molecular docking studies and DFT calculations
27. Synthesis, structural, molecular docking and spectroscopic studies of (E)-N'-(4-methoxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide
28. Synthesis, Crystal structure, Hirshfeld surface analysis, Spectral characterizations and Quantum computational assessments of 1-hydroxy-3-methyl-11H-pyrido[2,1-b] quinazolin-11-one
29. Synthesis, X-ray structure, vibrational spectroscopy, DFT, biological evaluation and molecular docking studies of (E)-N’-(4-(dimethylamino)benzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide
30. Corrosion inhibition of carbon steel in 1 M H2SO4 using new Azo Schiff compound: Electrochemical, gravimetric, adsorption, surface and DFT studies
31. Synthesis, X-Ray Diffraction, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking Studies, and DFT Calculation of New Pyrazolone Derivatives.
32. Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, and quantum computational evaluation of (E)-2-(((4-bromophenyl)imino)methyl)-6-methylphenol
33. DFT, molecular docking and experimental FT-IR, laser-Raman, NMR and UV investigations on a potential anticancer agent containing triazole ring system
34. Synthesis, spectroscopic characterization, crystal structure, DFT, molecular docking and in vitro antibacterial potential of novel quinoline derivatives
35. Spectral, DFT/B3LYP and molecular docking analyses on ethyl 2-(5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)pent-4-enoate
36. A new series of sulfa drugs containing pyrazolyl acylthiourea moiety: Synthesis, experimental and theoretical spectral characterization and molecular docking studies
37. Hirshfeld Surface analysis, spectroscopic, biological studies and molecular docking of (4E)-4-((naphthalen-2-yl)methyleneamino)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one
38. Syntheses of N-substituted benzimidazolone derivatives: DFT calculations, Hirshfeld surface analysis, molecular docking studies and antibacterial activities
39. Theoretical and experimental spectroscopic studies, XPS analysis, dimer interaction energies and molecular docking study of 5-(adamantan-1-yl)-N-methyl-1,3,4-thiadiazol-2-amine
40. Molecular docking, Hirshfeld surface analysis and spectroscopic investigations of 1-(adamantan-1-yl)-3-(4-fluorophenyl)thiourea: A potential bioactive agent
41. Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, molecular docking studies and DFT calculations, and antioxidant activity of 2-oxo-1,2-dihydroquinoline-4-carboxylate derivatives
42. Combined experimental and theoretical investigations on a half-sandwich organometallic Os(II) complex
43. Molecular docking and vibrational spectroscopy studies of (E)-N′-hydroxy-1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carboximidamide
44. Synthesis of novel pyrazole-4-carboxylates by rearrangement reaction: Experimental and theoretical characterization
45. Experimental and theoretical investigations on structural, spectroscopic, electronic and thermodynamic properties of (adamantan-1-yl)(phenylsulfanyl)methanone
46. Molecular docking, Hirshfeld surface, structural, spectroscopic, electronic, NLO and thermodynamic analyses on novel hybrid compounds containing pyrazole and coumarin cores
47. Molecular structure, Hirshfeld surface analysis, spectroscopic (FT-IR, Laser-Raman, UV–vis. and NMR), HOMO-LUMO and NBO investigations on N-(12-amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide
48. Spectroscopic (FT-IR, Laser-Raman and NMR) and conformational analysis on novel pyrazole β-keto ester compound
49. Triad pyrazole–thiazole–coumarin heterocyclic core effectively inhibit HSP and drive cancer cells to apoptosis.
50. Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one as anticancer agent.
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