Materials Literature
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Eu 0.58 Sr 0.42 MnO 3 is found to own a wide variety of magnetic structures, and two subsequent magnetic transitions, a PM-AFM (paramagnetic-antiferromagnetic) transition followed by an AFM-FM (ferromagnetic) transition, are observed under proper magnetic field. It is found that the thermal response of heat capacity t…
The bulk and interfacial properties of ternary mixtures with asymmetric amphiphiles (A2B8) in A2 and B2 matrices and in A2 and B10 matrices are investigated by the dissipative particle dynamics type of molecular-dynamics simulations. The monomer concentrations of A2B8(phiA2B8) studied are below the critical micelle co…
Systematic syntheses of manganese derivatives with 2-pyridineethanol, 2-pyridinemethanol and 2,6-pyridinedimethanol as chelating ligands have been undertaken to produce [trans-Mn(C5H4N-2-CH2CH2OH)2Cl2] (1), [cis-Mn2(μ-Cl)2(Cl)2(C5H4N-2-CH2CH2OH)2(OH2)2] (2), [cis-Mn2(μ-Cl)2(C5H4N-2-CH2OH)4]Cl2 (3) and [MnCl{η3-C5H3N-2…
We have carried out a density functional theory study of the S = 1/2 [FeNO]7 tropocoronand complex, Fe(5,5-TC)NO, as well as of some simplified models of this compound. The calculations accurately reproduce the experimentally observed trigonal-bipyramidal geometry of this complex, featuring a linear NO in an equatoria…
Abstract Internal steam reforming induces an inhomogeneous temperature distribution in SOFC cell. A thermo‐mechanical model has been developed to determine both the temperature gradient and the stress field within an anode supported cell structure fed with methane. Residual stresses due to manufacturing process and th…
We report a method for probing electromechanical properties of multiwalled carbon nanotubes (CNTs). This method is based on atomic force microscopy measurements on a doubly clamped suspended CNT electrostatically deflected by a gate electrode. We measure the maximum deflection as a function of the applied gate voltage…
The specific activity of recombinant Pyrobaculum islandicum glutamate dehydrogenase (pis-GDH) expressed in Escherichia coli is much lower than that of the native enzyme. However, when the recombinant enzyme is heated at 90 degrees C or exposed to 5 M urea, the activity increases to a level comparable to that of the na…
A generalized 2D correlation NMR (GEN2D-NMR) scheme capable of substantially reducing the experimental time for two-dimensional correlation NMR experiments is described. The experimental time used in GEN2D-NMR is shortened to less than one-tenth of that required in traditional double Fourier transform 2D-NMR (FT2D-NMR…
Transient absorption spectroscopy was used to investigate the dynamics of the photochromic indolinobenzospiropyran reaction in toluene solution and in phosphatidylcholine bilayers (1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), and 1,2-dioleoyl-sn-glycero-3-phos…
This paper studies the antimony spreading and segregation that occurred along with the oxidation and solid-state reactions in the Fe2O3-Sb2O3 system. XRD, SEM, TG-DSC and particularly XPS were employed for characterizations. Sb2O4 and FeSbO4 are the only new phases detected. The formation of FeSbO4 is a more exothermi…
Computer simulations reveal how photoinduced chemical reactions in polymeric mixtures can be exploited to create long-range order in materials with features that range from the submicron to the nanoscale. The process is initiated by shining a spatially uniform light on a photosensitive AB binary blend, which thereby u…
The thermal stabilities of polysulfones with different lengths of the carbon-linker between sulfone groups have been explored. B3LYP and CBS-QB3 calculations on possible thermal decomposition mechanisms of model compounds show that even carbon-linked polysulfones copolymers of alkenes and SO 2 decompose by a radical c…
The interaction of the extended, fully-conjugated macrocycle, dipyridyldibenzotetraaza[14]annulene (1), with the square planar palladium(II) and platinum(II) complexes [M(dppp)(triflate)(2)].2H(2)O (M = Pd, Pt) has been investigated in both solution and the solid state. In each case solid products showing a 1:1 ratio…
Abstract The effect of the volume fraction of a dispersed phase on improvement in the toughness of injection‐molded isotactic polypropylene (i‐PP), blended with a styrenic thermoplastic elastomer, has been studied. The volume fraction of the dispersed phase, which indicates compatibility between elastomer and i‐PP, de…
The reaction between MnBr(2).4H(2)O with H(3)tmp (1,1,1-tris(hydroxymethyl)propane) in MeCN in the presence of Na(O(2)CCMe(3)) and NBu(4)Br produces the complex [Mn(8)(O(2)CCMe(3))(2)(tmp)(2)(Htmp)(4)Br(4)(H(2)O)(2)].2MeCN (1.2MeCN) in good yield. The centrosymmetric octanuclear molecule consists of four Mn(III) and f…
We have investigated shear-induced alignment of a bilayer of spherical diblock copolymer micelles within thin films using molecular dynamics simulations at two different levels of coarse-graining. At the microscopic level, the copolymers are modeled as bead and spring chains with specific interaction potentials which…
Combined electrochemical and UV-visible spectroelectrochemical methods were utilized to elucidate the prevailing mechanisms for electroreduction of previously synthesized porphyrin-corrole dyads of the form (PCY)H2Co and (PCY)MClCoCl where M = Fe(III) or Mn(III), PC = porphyrin-corrole, and Y is a bridging group, eith…
High frequency localized vibration modes for linear isotropic elastic plates and rods of slowly varying thickness are shown to occur within the vicinity of maximal or minimal cross-sections. Long wave asymptotic integration close to the eigenmodes of such cross-sections is provided. The cases of a one integer paramete…
Tapered copolymer brushes of methyl methacrylate (MMA) and 2-hydroxyethyl methacrylate (HEMA) were synthesized via surface-initiated atom transfer radical polymerization (ATRP) by gradual addition of HEMA to a reaction mixture that originally only had MMA as monomer. The copolymer brush grew linearly with polymerizati…
The pair interaction between crystal dislocations is systematically explored by analyzing particle trajectories of two-dimensional colloidal crystals measured by video microscopy. The resulting pair energies are compared to Monte Carlo data and to predictions derived from the standard Hamiltonian of the elastic theory…