Synthesis,characterization, and biological screening of metal complexes of novel sulfonamide derivatives: Experimental and theoretical analysis of sulfonamide crystal

This study reports the synthesis of sulfonamide-derived Schiff bases as ligands L ¹ and L ² as well as their transition metal complexes [VO(IV), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II)]. The Schiff bases (4-{E-[(2-hydroxy-3-methoxyphenyl)methylidene]amino}benzene-1-sulfonamide ( L ¹ ) and 4-{[(2-hydroxy-3-methoxyphenyl)methylidene]amino}-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide ( L ² ) were synthesized by the condensation reaction of 4-aminobenzene-1-sulfonamide and 4-amino-N-(3-methyl-2,3-dihydro-1,2-oxazol-5-yl)benzene-1-sulfonamide with 2-hydroxy-3-methoxybenzaldehyde in an equimolar ratio. Sulfonamide core ligands behaved as bidentate ligands and coordinated with transition metals via nitrogen of azomethine and the oxygen of the hydroxyl group. Ligand L ¹ was recovered in its crystalline form and was analyzed by single-crystal X-ray diffraction technique which held monoclinic crystal system with space group (P2₁/c). The structures of the ligands L ¹ and L ² and their transition metal complexes were established by their physical (melting point, color, yields, solubility, magnetic susceptibility, and conductance measurements), spectral (UV–visible [UV–Vis], Fourier transform infrared spectroscopy, ¹H NMR, ¹³C NMR, and mass analysis), and analytical (CHN analysis) techniques. Furthermore, computational analysis (vibrational bands, frontier molecular orbitals (FMOs), and natural bonding orbitals [NBOs]) were performed for ligands through density functional theory utilizing B3LYP/6-311+G(d,p) level and UV–Vis analysis was carried out by time-dependent density functional theory. Theoretical spectroscopic data were in line with the experimental spectroscopic data. NBO analysis confirmed the extraordinary stability of the ligands in their conjugative interactions. Global reactivity parameters computed from the FMO energies indicated the ligands were bioactive by nature. These procedures ensured the charge transfer phenomenon for the ligands and reasonable relevance was established with experimental results. The synthesized compounds were screened for antimicrobial activities against bacterial (Streptococcus aureus, Bacillus subtilis, Eshcheria coli, and Klebsiella pneomoniae) species and fungal (Aspergillus niger and Aspergillus flavous) strains. A further assay was designed for screening of their antioxidant activities (2,2-diphenyl-1-picrylhydrazine radical scavenging activity, total phenolic contents, and total iron reducing power) and enzyme inhibition properties (amylase, protease, acetylcholinesterase, and butyrylcholinesterase). The substantial results of these activities proved the ligands and their transition metal complexes to be bioactive in their nature.     

Mathematical and numerical modeling of melting in metal-ceramic composite beds

Many of the ceramics used in the manufacture of the metal-ceramic composites are available as powders, which has encouraged investigators to develop tool less manufacturing techniques. Innovative processes like combustion synthesis and laser sintering processes offer great potential for specific material combinations. These processes involve heat and mass transfer in porous matrix with melting, solidification and may be chemical reaction. Since the resulting transport is relatively complex, there are few mathematical models available. In the present study, melting and transport of metal is demonstrated for a one-dimensional bed with uniform heat generation and convectively cooled boundaries. The effects of different Bond, Biot and Prandtl numbers are discussed using constant and temperature varying material properties. At low bond number the transport is controlled by capillary forces and temperature and saturation distribution is symmetric about the center of the bed. For Biot number larger than ten the process is internally controlled. Effect of Prandtl number is opposite of that of the Bond number. Use of constant properties overpredicts the process rate by 13%.     

An In Vitro Study of the Interaction of Copper(II) Salicylates with Genomic DNA Using Gel Electrophoresis and Gel Permeation Chromatography

This papers describes the in vitro interaction of copper(II) acetylsalicylate and copper(II) salicylate with genomic DNA isolated from human blood. The two drug substances were found to bind to DNA after incubation with whole blood over night. Bonding was confirmed by detection of separated DNA electrophoresis bands for copper, copper(II) acetylsalicylate, copper(II) salicylate, acetylsalicylic acid and salicylic acid. Drug–DNA interactions were observed during electrophoresis in the form of fragmentation by formation of two bands when compared to controls. Gel permeation chromatography parameters also confirmed the occurrence of fragmentation. The use of gel permeation chromatography parameters as a measure of fragmentation of DNA is discussed. The fragmentation of genomic DNA after incubation with copper(II) acetylsalicylate and copper(II) salicylate suggested that these drug substances might be responsible for cytotoxicity in vivo.

     

Synthesis,Characterization, and Catalytic Activity of Heteroleptic Rhodium Complex for C–N Couplings

Russian Journal of Coordination Chemistry - We have reported synthesis of complex [Rh(COD)(L{Me})Cl] (III), where L{Me} (II) is N-(1-methylpyridin-4(1H)-ylidene)benzamide and COD is...     

Tris(tetraceno)triquinacenes: Synthesis and Photophysical Properties of Threefold Linearly Extended Tribenzotriquinacenes

The linear extension of the rigid, C_3v‐symmetrical carbon framework of tribenzotriquinacene (TBTQ) along its three wings is reported. The key step of the extension procedure consists of a Diels–Alder reaction of three ortho‐quinodimethane units generated in situ at the triquinacene core. The use of 1,4‐naphthoquinone provides a facile and particularly efficient access to tris(tetraceno)‐annellated triquinacenes. The steady‐state photophysical properties of these new oligotetracenes bearing three mutually orthogonal chomophores are determined and analyzed by DFT calculations.     

Eremosides A – C,New Iridoid Glucosides from Eremostachys loasifolia

Eremosides A–C ( 1 – 3 ), three new iridoid glucosides, were isolated from the AcOEt‐soluble fraction of the EtOH extract of the whole plant of Eremostachys loasifolia, along with buddlejoside B ( 4 ), 10‐O‐benzoylcatalpol ( 5 ), and pakiside A ( 6 ) reported for the first time from this species. The structures of these compounds were elucidated by spectroscopic data including 2D‐NMR, FAB‐MS, ESI‐MS, as well as by acid and basic hydrolyses.     

Prediction of low-sensitivity reactive dye recipe in exhaust dyeing influenced by material to liquor ratio and nature of salt

Reactive dyeings were carried out by exhaust method on 100% cotton knits. A trichromatic combination was chosen with only change in blue component. Colorimetric data were produced under controlled dyeing conditions by comparing the color difference between the target shade and resulting shades. Giving a change in liquor ratio and nature of salt the colorimetric data were regenerated again produced the shades. The data will be helpful to predict the low-sensitivity reactive dye recipe, which lead to the concept of right-first-time dyeing. The aim of this research is to help a dyer to select the right recipe. A set of the dye recipes was applied by dyeing with reactive dyes on cotton. Sodium chloride shows best results in terms of dye sensitivity as compared to Glauber's salt at low liquor ratio that is 1:10. Blue BRF in combination with yellow and red shows best result as compared to navy blue BF.     

Synthesis,characterization, preliminary biological screening,and interaction studies of the bis(pyridinium)amine compound, 4,4'-[(2-aminophenyl)azanediyl]bis(1-methylpyridin-1-ium)triflate with biological macromolecules

Russian Journal of General Chemistry - Bis(pyridinium)amine 4,4'-[(2-aminophenyl)azanediyl]bis(1-methylpyridin-1-ium)triflate ([H2L][TfO]2) was synthesized and characterized by elemental...     

An In Vitro Study of the Interaction of Copper(II) Salicylates with Genomic DNA Using Gel Electrophoresis and Gel Permeation Chromatography

This papers describes the in vitro interaction of copper(II) acetylsalicylate and copper(II) salicylate with genomic DNA isolated from human blood. The two drug substances were found to bind to DNA after incubation with whole blood over night. Bonding was confirmed by detection of separated DNA electrophoresis bands for copper, copper(II) acetylsalicylate, copper(II) salicylate, acetylsalicylic acid and salicylic acid. Drug–DNA interactions were observed during electrophoresis in the form of fragmentation by formation of two bands when compared to controls. Gel permeation chromatography parameters also confirmed the occurrence of fragmentation. The use of gel permeation chromatography parameters as a measure of fragmentation of DNA is discussed. The fragmentation of genomic DNA after incubation with copper(II) acetylsalicylate and copper(II) salicylate suggested that these drug substances might be responsible for cytotoxicity in vivo.