Selective and efficient detection of picric acid among other nitroaromatics by NIR fluorescent cyanine chemosensors.

Designed and synthesized a fluorescent probe composed of a Hemi cyanine dye bearing conjugated N, N-dimethyl amino benzaldehyde based fluorophore C1 and C2 as a new visible and near-infrared chemo dosimeter type sensor on highly sensitive and selective chemosensors. The color change and quenching of the dye emission are selective detections of picric acid at nanomolar concentration is accomplished in water medium without having any interference from other NAC's. The protonation and deprotonation between N,N-dimethylaniline, and N,N-diethyl aniline units will prompt to the changes in the targeted ICT molecules and the emission response can be detected on distinct NAC. The dyes C1 and C2 set out towards NACs was explored in the THF-H2O medium by UV-vis and fluorescence spectra situated around 560 nm with high molar absorption coefficient. NMR spectroscopic titrations in DMSO­d6 for affirming the interface between the picric acid with C1 1H NMR was utilized to confirm our proposed mechanism. The as-synthesis of cyanine dyes C1 and C2, involves condensation reaction between (1.0 equiv) of 1,1,2,3-tetramethyl-1H-benzo[e]indol-3-ium iodide 2 with (1.1 equiv.) p-N,N-dimethyl amino benzaldehyde, and catalytic amount of piperidine in ethanol continued by reflux for 7 h under idle states, in this way giving a facile, convenient and minimal effort strategy for detection of picric acid in solution and in contact mode.

Structural data of DNA binding and molecular docking studies of dihydropyrimidinone transition metal complexes.

A series of some novel copper complexes derived from Biginelli condensation of DHPHS. The ligand and its transition metal complexes show more antimicrobial activities which was substantiated by molecular docking studies. Transition metal complexes four possess antioxidant properties supported by the DNA-binding, cleavage, and viscosity measurement (Prasad et al., 2011) [1]. The in Silicon DNA binding reveals copper complex is bound to be Minor groove and other manganese, cobalt, nickel complexes are bound to the Major groove portion of DNA through hydrogen bonds and hence copper (II), manganese (II), cobalt (II), nickel (II) complexes are called Minor groove and Major groove binder respectively. The DNA cleavage studies of metal complexes presented more protruding activity in the attendance of H2O2 associated to that in the absence of H2O2. In continuance of our ongoing research on DNA binding and cleavage happenings of transition metal complexes, in this paper we obtainable the synthesis, characterization and DNA cleavage activities.

Thiophene and benzodioxole appended thiazolyl-pyrazoline compounds: Microwave assisted synthesis, antimicrobial and molecular docking studies.

A novel series of thiophene and benzodioxole appended thiazolyl-pyrazoline derivatives have been designed, synthesized and evaluated against different bacteria and fungi. The antimicrobial activity of the synthesized compounds were screened using MIC method and were proved synthesized compounds 7o, 7r and 7t to show good antimicrobial activity against bacteria and fungi. In silico molecular docking studies revealed that all the synthesized molecules showed good binding energy toward the target receptor DNA topoisomerase IV, ranging from -10.42 to -11.66 kcal/mol.

Synthesis, spectral characterization and biological activity of metal(II) complexes with 4-aminoantipyrine derivatives.

Novel metal(II) complexes derived from furfurylidene-4-aminoantipyrine and 2-aminobenzothiazole were synthesized and characterized by spectroscopic (IR, (1)H NMR, UV-Vis., ESR and DART-MS) and other analytical methods. IR spectral studies indicate the binding sites of the ligand with the metal ion. Molar conductance data and magnetic susceptibility measurements provide evidence for monomeric and neutral nature of the complexes. The X band ESR spectrum of the Cu(II) complex at 300 and 77K was recorded. The electrochemical behaviour of the complexes in MeCN at 298 K was studied. Thermal studies of the ligand and its complexes show the presence of coordinated water in the complexes. The grain size of the complex was calculated by Scherrer formula using powder XRD. The surface morphology of the complexes was studied using SEM. The in vitro biological screening of the ligand and its complexes were tested against bacterial species S. aureus, E. coli, K. pneumoniae, P. vulgaris and P. aeruginosa and fungal species A. niger, R. stolonifer, A. flavus, R. bataicola and C. albicans. The DNA binding and cleavage activity of the ligand and its complexes were studied. Super oxide dismutase (SOD) activities of the ligand and its complexes have also been measured.