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Theoretical analysis of OLED performances of some aromatic nitrogen-containing ligands
(Turkish Journal of Chemistry, 25.08.2023)
The recent work has an aim to establish a pivotal role of orbital exponent in the normalized atomic radii, atomic density and atomic hardness. These three periodic descriptors help to understand the real scenario of an ...
Metal cations toxicity: An inorganic interpretation
(Published by Elsevier B.V., 2023-01)
Chemical hardness is one of the useful parameters giving information about the toxic nature of the structures. In
the present work, absolute chemical hardness imparted to the science by Pearson, the hydration enthalpies, ...
Interaction analysis of a new NHC precursor and its Ag-NHC complex with bovine serum albumin by spectrophotometric and molecular docking methods
(2023)
Potential bioactive molecules must reach the target tissue safely
and serum albumin, which is a well-known major component in
human blood, is an efficient transporter. Therefore, the interactions
of possible bioactive ...
Design, synthesis, antimicrobial activity and molecular docking study of cationic bis‐benzimidazole‐silver(I) complexes
(2023)
Two series of bis(1‐alkylbenzimidazole)silver(I) nitrate and bis(1‐alkyl‐5,6‐
dimethylbenzimidazole)silver(I) nitrate complexes, in which the alkyl substituent is
either an allyl, a 2‐methylallyl, an isopropyl or a ...
Synthesis, antimicrobial activity and molecular docking study of benzyl functionalized benzimidazole silver(I) complexes
(2023)
In this study, a series of N-functionalized benzimidazole silver(I) complexes were prepared and characterized by FT-IR, 1H,
13C{1H} NMR spectroscopy, and elemental analysis. Synthesized N-benzylbenzimidazole silver(I) ...
Antimicrobial activities of bis-(N-alkylbenzimidazole)-cobalt(II) and zinc (II) complexes
(2023)
Eight benzimidazole precursors (L), namely 1-allyl-benzimidazole, 1-methallyl-benzimidazole, 1-isopropyl-benzimidazole,
1-(3-methyloxetan-3-yl)methyl-benzimidazole, 1-allyl-5,6-dimethyl-benzimidazole, 1-methallyl-5,6-
...
Benzimidazol-2-ylidene Silver Complexes: Synthesis, Characterization, Antimicrobial and Antibiofilm Activities, Molecular Docking and Theoretical Investigations
(2023)
Five silver(I) complexes, namely chloro[1-methallyl-3-benzyl)benzimidazol-2-ylidene]
silver (6), chloro[1-methallyl-3-(2,3,5,6-tetramethylbenzyl)benzimidazol-2-ylidene]silver (7), chloro[1-
methallyl-3-(3,4,5-trimethox ...
A novel series of tetrahydrothieno[2,3-c]pyridin-2-yl derivatives: fluorescence spectroscopy and BSA binding, ADMET properties, molecular docking, and DFT studies
(RSC Publishing, 2023)
In this study, a series of substituted tetrahydrothieno[2,3-c]pyridin-2-yl (THTP) derivatives, i.e., C1–C3 and N1–N3, was synthesized in one step using 2-amino-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine- ...
Copper(II) chelates derived from an N,N,O-tridentate 2-pyridinecarboxaldehyde-N4-phenylsemicarbazone: Synthesis, spectral aspects, crystal structure, FMO and NBO analysis
(Elsevier, 2023)
Seven novel Cu(II) complexes [Cu(HPySc)Cl2] (1), [Cu2(PySc)2(NO3)2]·H2O (2), [Cu(HPySc)(SO4)]·½H2O (3), [Cu2(PySc)2(OAc)2]·CH3OH (4), [Cu2(PySc)2Br2]·H2O (5), [Cu(PySc)(NCS)]·2H2O (6) and [Cu2(PySc)2(N3)2] (7) with ...
Physicochemical properties, drug likeness, ADMET, DFT studies, and in vitro antioxidant activity of oxindole derivatives
(Elsevier, 2023)
Poor pharmacokinetic and safety profiles create significant hurdles in the drug development process. This work focuses on a detailed understanding of drug discovery interplay among physicochemical, pharmacokinetic, toxicity ...