Synthesis,characterization & in vitro antimicrobial‐antioxidant studies of novel N,1‐diphenyl‐4,5‐dihydro‐1H‐1,2,4‐triazol‐3‐amine derivatives

A new series of 1,2,4‐triazole was designed, synthesized, and characterized as remarkable antimicrobial and antioxidant agents. These heterocycles have been prepared from the cyclization reactions of Schiff bases 3 ( a‐k ) with phenylhydrazine by refluxing under the alkaline medium. The Schiff bases in turn were realized in good yields from the condensation reactions of N‐phenylurea with different aromatic aldehydes. The structures of the intermediates 3 ( a‐k ) and final heterocycles 4 ( a‐k ) have been fully characterized through their spectral parameters.     

Diffusion of water in molecular magnet Cu(0.75)Mn(0.75)[Fe(CN)6]·7H2O

Here we report the dynamical behaviour of water in Prussian blue analogue (PBA) Cu(0.75)Mn(0.75)[Fe(CN)(6)]·7H(2)O molecular magnet in the temperature range 260-360 K as studied using the quasielastic neutron scattering technique. While significant quasielastic broadening is observed in the hydrated sample, no broadening was observed in the dehydrated one. Data analysis showed that the observed quasielastic broadening in Cu(0.75)Mn(0.75)[Fe(CN)(6)]·7H(2)O corresponds to the dynamics of the non-coordinated water molecules at the 32f site and the coordinated water molecules at the 24e site, existing in the cavities created by the absence of Fe(CN)(6) units. The non-coordinated water molecules at 8c interstitial sites do not contribute to the broadening, suggesting that they are immobile at least within the time window of the spectrometer used. Behaviour of the elastic incoherent structure factor is consistent with the model where the water molecules undergo translational diffusion localized within the cavity of 5.1 ?. While all the non-coordinated water molecules at the 32f site are dynamic over the entire range of temperatures, the coordinated ones at the 24e site become progressively dynamic with temperature. The water molecules were found to undergo hindered (~1.16 × 10(-5) cm(2) s(-1) at 300 K) diffusion compared to bulk water and the diffusivity followed Arrhenius behaviour within the measured temperature range with an activation energy of 1.26 kcal mol(-1).     

Neutron diffraction study of quasi-one-dimensional spin-chain compounds Ca<Subscript>3</Subscript>Co<Subscript>2–<Emphasis Type="Italic">x</Emphasis></Subscript>Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>6</Subscript>

We report the results of the DC magnetization, neutron powder diffraction and neutron depolarization studies on the spin-chain compounds Ca₃Co_2–x Fe _x O₆ (x = 0, 0.1, 0.2 and 0.4). Rietveld refinement of neutron powder diffraction patterns at room temperature confirms the single-phase formation for all the compounds in rhombohedral structure with space group Rc. Rietveld refinement also confirms that Fe was doped at the trigonal prism site, 6a (0, 0, 1/4) of Co. The high temperature magnetic susceptibility obeys the Curie-Weiss law; the value of the paramagnetic Curie temperature (θ _p) decreases as the concentration of iron increases and it becomes negative for x = 0.4. No extra Bragg peak as well as no observable enhancement in the intensity of the fundamental (nuclear) Bragg peaks has been observed in the neutron diffraction patterns down to 30 K. No depolarization of neutron beam has been observed down to 3 K confirming the absence of ferro- or ferrimagnetic-like correlation.      

Surface modification of UV‐cured epoxy resins by click chemistry

A novel method for surface modification of UV‐cured epoxy network was described. Photoinitiated cationic copolymerization of a bisepoxide, namely 3,4‐epoxy cyclohexylmethyl 3,4‐epoxycyclohexanecarboxylate (EEC) with epibromohydrine (EBH) by using a cationic photoinitiator, [4‐(2‐methylpropyl)phenyl]4‐methylphenyl‐iodonium hexafluorophosphate, in propylene carbonate solution was studied. The real‐time Fourier transform infrared spectroscopic, gel content determination and thermal characterization studies revealed that both EEC and EBH monomers take part in the polymerization and epoxy network possessing bromomethyl functional groups was obtained. The bromine functions of the cured product formed on the glass surface were converted to azide functionalities with sodium azide. Independently prepared alkyne functional poly(ethylene glycol) (PEG) was subsequently anchored to azide‐modified epoxy surface by a “click” reaction. Surface modification of the network through incorporation of hydrophilic PEG chain was evidenced by contact angle measurements. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 2862–2868, 2010     

Gold nanoparticles produced in a microalga

An efficient biological route to production of gold nanoparticles which allows the nanoparticles to be easily recovered remains elusive. Live cells of the green microalga Chlorella vulgaris were incubated with a solution of gold chloride and harvested by centrifugation. Nanoparticles inside intact cells were identified by transmission electron microscopy and confirmed to be metallic gold by synchrotron based X-ray powder diffraction and X-ray absorption spectroscopy. These intracellular gold nanoparticles were 40–60 nm in diameter. At a concentration of 1.4% Au in the alga, a better than 97% recovery of the gold from solution was achieved. A maximum of 4.2% Au in the alga was obtained. Exposure of C. vulgaris to solutions containing dissolved salts of palladium, ruthenium, and rhodium also resulted in the production of the corresponding nanoparticles within the cells. These were surmised to be also metallic, but were produced at a much lower intracellular concentration than achieved with gold. Iridium was apparently toxic to the alga. No nanoparticles were observed using platinum solutions. C. vulgaris provides a possible route to large scale production of gold nanoparticles.     

Characterization,slab-pair modeling and phase analysis of circular fishnet metamaterials

Planar metamaterials, which have incident to normal plane excitation unlike SRR-type structures and that are easily fabricated in multilayer form, have received great interest in recent years. In this paper, one-dimensional and polarization independent circular fishnet metamaterials and their equivalent discontinuous slab-pair modeling for tuning resonance frequencies are introduced. After the numerical and experimental demonstration of the inclusions, the standard retrieval characterization methods and the correspondent/related backward-wave propagation observation are realized in order to check the physical explanation mentioned in the paper. In addition, a detailed phase analysis is performed in order to demonstrate the application of the suggested structure as a phase compensator.     

Structure and characterization of N-(2-hydroxy-1-naphthylidene)threonine

Threonine Schiff base derived 2-hydroxy-1-naphthaldehyde and threonine has been isolated and investigated. The stoichiometry of this compound was derived from the results of elemental analyses, IR, ¹H-NMR and UV spectroscopic techniques. X-ray diffraction method was also used to obtain the single-crystal structure. The compound crystallizes in the space group P2₁ with cell dimensions a=5.109(2), b=11.334(2), and β=91(3)° with Z=2. The molecule has phenol-imine tautomeric form in the crystal structure. Some of bond lengths and angles found in the molecular structure are distorted due to π-electron delocalization and steric effect of naphthylidene and threonine groups.     

Synthesis of H‐shaped complex macromolecular structures by combination of atom transfer radical polymerization,photoinduced radical coupling,ring‐opening polymerization,and iniferter processes

Three controlled/living polymerization processes, namely atom transfer radical polymerization (ATRP), ring‐opening polymerization (ROP) and iniferter polymerization, and photoinduced radical coupling reaction were combined for the preparation of ABCBD‐type H‐shaped complex copolymer. First, α‐benzophenone functional polystyrene (BP‐PS) and poly(methyl methacrylate) (BP‐PMMA) were prepared independently by ATRP. The resulting polymers were irradiated to form ketyl radicals by hydrogen abstraction of the excited benzophenone moieties present at each chain end. Coupling of these radicals resulted in the formation of polystyrene‐b‐poly(methyl methacrylate) (PS‐b‐PMMA) with benzpinacole structure at the junction point possessing both hydroxyl and iniferter functionalities. ROP of ε‐caprolactone (CL) by using PS‐b‐PMMA as bifunctional initiator, in the presence of stannous octoate yielded the corresponding tetrablock copolymer, PCL‐PS‐PMMA‐PCL. Finally, the polymerization of tert‐butyl acrylate (tBA) via iniferter process gave the targeted H‐shaped block copolymer. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013 , 51, 4601–4607     

Structure and magnetic properties of the Al1−xGaxFeO3 family of oxides: A combined experimental and theoretical study

Magnetic properties of the Al_1−xGa_xFeO₃ family of oxides crystallizing in a non-centrosymmetric space group have been investigated in detail along with structural aspects by employing X-ray and neutron diffraction, Mössbauer spectroscopy and other techniques. The study has revealed the occurrence of several interesting features related to unit cell parameters, site disorder and ionic size. Using first-principles density functional theory based calculations, we have attempted to understand how magnetic ordering and related properties in these oxides depend sensitively on disorder at the cation site. The origin and tendency of cations to disorder and the associated properties are traced to the local structure and ionic sizes.