Studies on two phenoxo-bridged homopolynuclear Cu (II) bis (salamo) type complexes based on theoretical calculations and fluorescence properties
J Zhang, LC Feng, SZ Li, WK Dong - Polyhedron, 2022 - Elsevier
The dinuclear Cu (II) complex [Cu 2 (HL) Br 2 (MeOH)]· MeOH (1) and the tetranuclear Cu (II)
complex [Cu 4 (L) 2](ClO 4) 2· 2EtOH (2), based on a new bis (salamo) type ligand H 3 L …
complex [Cu 4 (L) 2](ClO 4) 2· 2EtOH (2), based on a new bis (salamo) type ligand H 3 L …
Theoretical investigation on corrosion inhibition efficiency of some amino acid compounds
The DFT approach was used to do quantum chemical calculations of amino acids energy,
geometrical shape, and optoelectronic properties. The investigation of the optoelectronic …
geometrical shape, and optoelectronic properties. The investigation of the optoelectronic …
Synthesis, solvent-solute interactions (polar and non-polar), spectroscopic insights, topological aspects, Fukui functions, molecular docking, ADME, and donor …
AR Kumar, S Selvaraj, GPS Mol, M Selvaraj… - Journal of Molecular …, 2024 - Elsevier
The favorite heteroatom-containing compound, 2-(trifluoromethyl) benzimidazole (2TFMBI),
was synthesized and experimentally characterized using spectroscopic techniques. Density …
was synthesized and experimentally characterized using spectroscopic techniques. Density …
The photo-physicochemical properties and in vitro sonophotodynamic therapy activity of Di-axially substituted silicon phthalocyanines on PC3 prostate cancer cell line
In this study, novel silicon phthalocyanines complexes have been synthesized,
characterized and compared their antitumor efficiency of photodynamic, sonodynamic …
characterized and compared their antitumor efficiency of photodynamic, sonodynamic …
Nonlinear optical properties of pyrene-based chalcone:(E)-1-(4′-bromo-[1, 1′-biphenyl]-4-yl)-3-(pyren-1-yl) prop-2-en-1-one, a structure-activity study
The presence of CH… O and π… π stacking, which form a head to tail and face to face
arrangement chain along the b-axis, was shown by single crystal analysis. The small …
arrangement chain along the b-axis, was shown by single crystal analysis. The small …
Rational synthesis, biological screening of azo derivatives of chloro-phenylcarbonyl diazenyl hydroxy dipyrimidines/thioxotetrahydropyrimidines and their metal …
Herein, a new series of azo ligands HL-1 (5-(2-chloro-6-(phenylcarbonyl) phenyl) diazenyl)-
6-hydroxydihydropyrimidines-2, 4dione), HL-2 (5-(2-chloro-6-(phenylcarbonyl) phenyl) …
6-hydroxydihydropyrimidines-2, 4dione), HL-2 (5-(2-chloro-6-(phenylcarbonyl) phenyl) …
Quantum chemical calculation, topological analysis, biological evaluation and molecular docking of allo‐ocimenol against breast cancer
The main aim of this study is to identify the structural stability of allo‐ocimenol and its
molecular reactivity against breast cancer‐associated proteins to confirm its anti‐cancer …
molecular reactivity against breast cancer‐associated proteins to confirm its anti‐cancer …
New type of metal-free and Zinc (II), In (III), Ga (III) phthalocyanines carrying biologically active substituents: Synthesis and photophysicochemical properties and …
This study reports on novel phthalocyanines having benzimidazole units which are known to
have biological properties. 4-(4-(5-chloro-1H-benzo [d] imidazol-2-yl) substituted metal-free …
have biological properties. 4-(4-(5-chloro-1H-benzo [d] imidazol-2-yl) substituted metal-free …
Synthesis of N-acylated pyrazolines: Spectroscopic, crystallographic, Hirshfeld Surface, lead sensing and theoretical studies
Abstract N-Acylated-2-pyrazolines (NA2Pyr) were synthesized from chalcone and hydrazine
hydrate under one pot cyclocondensation in the presence of propionic acid and …
hydrate under one pot cyclocondensation in the presence of propionic acid and …
Synthesis of tetra-substituted phthalocyanines bearing 2-(ethyl (m-tolyl) amino) ethanol: Computational and photophysicochemical studies
This work presents the synthesis of 4-(2-(ethyl (m-tolyl) amino) ethoxy) phthalonitrile (1) as
ligand and its peripherally tetrasubstituted metal-free (2) and metallophthalocyanines (3–5) …
ligand and its peripherally tetrasubstituted metal-free (2) and metallophthalocyanines (3–5) …