F(1H-Pyrazol-4-yl)methylene-Hydrazide derivatives: Synthesis and antimicrobial activity

This paper investigates the seismic and collapse performance of shape memory alloy (SMA) braced steel frame structures considering the effects of various brace design parameters and ultimate state of SMAs. An SMA braced steel frame building is designed to have comparable strength and stiffness with a steel-moment resisting frame selected as case study building. Then, the stiffness and ultimate deformation capacity of the SMA braces in the initially designed reference SMA braced frame are systematically varied. First, the static pushover analysis and incremental dynamic analysis (IDA) are employed to illustrate the significance of SMA brace failure consideration in seismic performance assessment of steel frames with SMA elements. Then, the influence of SMA brace initial stiffness and ultimate deformation capacity on the seismic and collapse performance of SMA braced frames are studied through pushover analyses, nonlinear response history analyses, and IDA. The results show that the SMA brace initial stiffness does not affect the interstory drift and floor absolute acceleration response at design and maximum considered earthquake (MCE) level seismic hazard or collapse capacity of the frame. However, it has considerable influence on post-event functionality of the frame. It is also found that the SMA brace ultimate deformation capacity should be at least 80% of maximum inter-story drift demand at MCE level for satisfactory seismic performance, while larger values provide higher collapse capacity for the SMA braced frame.     

Characterizing the influence of reinforcing resin on the structure and the mechanical response of filled isoprene rubber

In the present study, a specific type of reinforcing resin behavior is investigated using various mechanical approaches as well as microscopic techniques such as transmission electron microscopy and atomic force microscopy. Based on these observations, it could be concluded that the reinforcing resin introduces a synergistic effect with carbon black in order to strengthen the system. This is implied since the percolation threshold is significantly reduced and the morphology of the filler aggregates changes toward higher compactness, i.e., an increase of volume-to-size ratio with the addition of resin.     

Nonlinear closure modeling in reduced order models for turbulent flows: a dynamical system approach

Nonlinear Dynamics - Reduced-order models (ROM) of structurally dominated fluid flows have significant applications in science and engineering, such as design, control, and optimization....     

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.     

Honey mediated microwave assisted sol–gel synthesis of stabilized zirconia nanofibers

Aim of the present work is to prepare zirconia nanofibers using microwave assisted sol–gel method. Both honey and microwave powers are employed as structure directing agents to improve the stability and reduce the crystallite size. Honey, acting as capping agent, prevents the particles from hard agglomeration. Soft agglomeration or less agglomeration results in smaller crystallite size that prevents the transformation of tetragonal to monoclinic phase resulting in stabilized tetragonal zirconia (t-ZrO₂). Zirconium oxychloride is used as precursor of zirconium and deionized water as solvent. Effect of microwave powers, in the range of 100–900?W with interval of 200?W, on zirconia stabilization is observed. X-ray diffraction analysis shows the presence of phase pure t-ZrO₂ at low microwave power ~?100?W with crystallite size ~?26?nm. Formation of phase pure t-ZrO₂ at low microwave power is due to the presence of sufficient amount of honey to coat the zirconia crystals. Relatively higher x-ray density has been observed in case of phase pure t-ZrO₂ at 100?W of microwave power. This high density and phase purity reveals the high value of hardness (~?1503?HV). Scanning electron microscopy analysis reveals the formation of well-separated nanofibers without agglomeration at 100?W. These nanofibers are purposed for bone implants and bone grafting. Structural transformation along with hard agglomeration is observed with increase in microwave powers from 500?W to 900?W. FTIR and Raman fundamental tetragonal bands, appearing at 490?cm^?1 and 148?cm^?1, respectively, confirm the formation of t-ZrO₂ at low microwave power. Sample with phase purity exhibits high grain boundary resistance (1.95?MΩ) along with high dielectric constant (~?74) and low tangent loss (at log f?=?4.0). It is worth mentioning here that phase pure t-ZrO₂ at very low microwave power (~100?W) with high density and well-separated nanofibers has been obtained without any post heat treatment.

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Structure elucidation,DNA binding,DFT, molecular docking and cytotoxic activity studies on novel single crystal (E)-1-(2-fluorobenzylidene)thiosemicarbazide

Compound 3 {(E)-1-(2-fluorobenzylidene)thiosemicarbazide} – a new Schiff base of thiosemicarbazide has been synthesized, characterized and reported for crystal structure. Planer side chain in the crystal structure was observed co-planer with aromatic ring plane and molecules were connected into centrosymmetric dimmers via intermolecular hydrogen bonding. DFT geometry optimization and the relevant quantum parameters indicated unstable and reactive nature of compound 3. Experimental and theoretical findings for DNA binding by UV–visible, cyclic voltammetry and molecular docking studies showed consistency in kinetic (K_b) and thermodynamic (ΔG) parameters and that compound 3 significantly interacted with DNA via intercalation. Viscometric analysis further comprehended intercalation as possible binding mode of the compound with DNA and non-denaturing of DNA in the presence of 10% aqueous DMSO. Docked parameters further assured the drug like characteristics of the investigated compound as fit in Lipinski’s criteria. Dose dependant cytotoxic activity of compound 3 against human Huh-7 cell line indicated its anti-cancer potential at 100?µg/ml concentration.     

Recent progress of poly (N-isopropylacrylamide) hybrid hydrogels: synthesis,fundamentals and applications – review

Hydrogels, having nanomaterials (e.g. nanoparticles and nanorods) incorporated inside their polymeric meshes, are generally called hybrid gels/hydrogels. These assemblies combine the properties of both hydrogels and nanomaterials in one system. These responsive hybrid hydrogels, particularly polymerized N-isopropylacrylamide (PoNip) polymeric gels, have been extensively exploited for various multi-disciplinary applications in the literature over the past two decades because of their unique and exquisite particulars. Next generation assemblies have been prepared by using the smart nature of these gels toward the general incentives (e.g. temperature, ionic strength, and pH) in the fields of nanocatalysis, water purification, drug delivery, photonics, and optics. This review presents an overview of the PoNip hybrid assemblies engineered over the past 7 years i.e. 2010–2016 and extensively discusses the interaction of the incorporated nanomaterial with the polymeric chains of the hydrogels as it is the most significant factor which makes these assemblies attractive for all the associated applications. Moreover, this article also describes the preparative routes, properties, classification, and applications of these hybrid hydrogels in the fields of medicine, environment, catalysis, and nanotechnology.