Materials Literature
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We use the grand canonical Monte Carlo method to study the nature of wetting transitions on a variety of heterogeneous surfaces. The model system we explore, Ne adsorption on Mg, is one for which a prewetting transition has been found in our previous simulations. We find that the first order transition present on the…
The folding pattern of the segment of alphaA-crystallin encoded by exon 2 and containing putative substrate binding sites was explored using site-directed spin labeling (SDSL). For this purpose, a nitroxide scan was carried out between residues 60 and 108. At each site, structural constraints describing the local envi…
Traditionally, the physics of magnetism has been divided into two almost independent branches. The first branch deals with interactions at the atomic level. When applied to the three-dimensional world, it mostly consists of challenging unsolved problems like the Ising, Habbard, and Heisenberg Hamiltonians, Fermi-liqui…
The occurrence of the glyoxylate cycle has not previously been demonstrated in any of the Archaea. In halophilic archaea, only isocitrate lyase activity has been detected. The halophilic archaeon Haloferax volcanii was tested for the presence of the other key enzyme of this pathway, malate synthase. High activities of…
Ab initio calculations were performed, using the CASPT2 method and moderate-size basis sets, on several d 6 octahedral coordination compounds, Fe(CN) 6 4-, Fe(NCH) 6 2+, cis - and trans -Fe(CN) 2 (NCH) 4, and Cr(CO) 6 . The study concentrates on the six lowest states of the d → d spectrum (three singlets, one quintet,…
Cadmium metal nanocrystallites (NCs), prepared on graphite surfaces by electrochemical deposition, are employed as precursors to synthesize core−shell nanoparticles consisting of a crystalline cadmium sulfide (CdS) core and a sulfur or polysulfide shell. Core−shell NCs having a large CdS core (radii R CdS > 40 Å) were…
The preparation of optically active poly(isocyanide)s derived from chiral promesogenic monomers is reported. Remarkably, the stereogenic carbon atom in the monomer is able to pass its chiral “information” to the growing polymer backbone which is at least 14 atoms (approximately 16 Å) remote from it. The sense of helic…
The synthesis and characterization of the rod−coil molecules of ethyl 4-[4-[oxypoly(propyleneoxy)propyloxy]-4‘-biphenylcarboxyloxy]-4‘-biphenylcarboxylate with poly(propylene oxide) coil of 7 ( 7-P-4 ), 8 ( 8-P-4 ), 10 ( 10-P-4 ), 12 ( 12-P-4 ), 15 ( 15-P-4 ), 17 ( 17-P-4 ), and 20 ( 20-P-4 ) propylene oxide units are…
We report mechanical detection of ferromagnetic resonance signals from microscopic Co single layer thin films using a magnetic resonance force microscope (MRFM). Variations in the magnetic anisotropy field and the inhomogeneity of were clearly observed in the FMR spectra of microscopic Co thin films 500 and 1000 angst…
We propose a two dimensional frame-invariant phase field model of grain impingement and coarsening. One dimensional analytical solutions for a stable grain boundary in a bicrystal are obtained, and equilibrium energies are computed. We are able to calculate the rotation rate for a free grain between two grains of fixe…
Poly(arylene ether ketone)s with pendant, monodisperse oligobenzamide and oligobenzoate side chains facilitated a study of the effect of hydrogen bonding on chain interactions. A stepwise condensation reaction between acid chlorides and amine or alcohol functions was used to synthesize new series of carboxy-terminated…
The tetragonal states produced by isotropic pseudomorphic epitaxial strain in the (001) plane on a tetragonal phase of a crystal are calculated for V, Ti, Rb, Li, K, Sr from first-principles electronic theory. It is shown that each metal has two tetragonal phases corresponding to minima of the total energy with respec…
The thickness evolution of in-plane magnetization reversal in ultrathin films is studied with a theoretical model that takes account of surface roughness typical of epitaxial growth. Guided by Néel's model, step edge sites of monolayer-height islands are assigned a two-fold anisotropy in addition to a four-fold anisot…
In this work, we have used an oligomer model compound approach for the understanding of the vibrational spectra of the principal forms of polyaniline. Selected model compounds have been studied by Raman and infrared (IR) spectroscopies. The observed vibrational bands are assigned to the expected modes, by revealing th…
The reaction of [M II (OH 2 ) 6 ](NO 3 ) 2 (M = Co, Ni) and [N(CN) 2 ] - leads to formation of isomorphous M[N(CN) 2 ] 2 [M = Co ( 2a ), Ni ( 3 )], respectively, while the reaction of [Co II (OH 2 ) 6 ](NO 3 ) 2 in 1% pyridine (py) solution with [N(CN) 2 ] - leads to the formation of Co[N(CN) 2 ] 2 py 2 . The structur…
Voltammetry of nonspecifically adsorbed and of freely diffusing monolayer protected clusters (MPCs) is presented. The MPC monolayers are mixtures of n -octanethiolates and ω-functionalized ferrocenyloctanethiolates. MPC adsorption coverages range from a few percent to roughly a full monolayer of cluster molecules. Rot…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTAcid−Base Catalysis in the Synthesis of Arylmethylene and Alkylmethine PyrrolesClaudius D'Silva and Deborah A. WalkerView Author Information Department of Chemistry & Materials, the Manchester Metropolitan University, Faculty of Science and Engineering, John Dalton Building, Ch…
Formation of clusters of interlayer interstitial carbon atoms in graphite is studied by means of molecular dynamics simulation. It is shown that the deformation potential is attractive for interstitials located in one interlayer region and repulsive for interstitials located in different interlayer regions. As a resul…
Model dipole−dipole coupling calculations of infrared spectra for various ordered CO packing arrangements on Pt(111) have been undertaken as a function of the spatial dimensions of isolated nanoscale adlayer domains. Comparisons of some of these predictions with coverage (θ CO )-dependent infrared spectra obtained upo…
Methylnickel complexes activate the C(O)−H function of 2-diphenylphosphinobenzaldehyde to form five-membered chelate rings Ni(Ph 2 P⌒C O) which occupy OC-axial and P-equatorial positions in the trigonal bipyramidal configuration of nickel(d 8 ) compounds Ni(Ph 2 P⌒C O)X(PMe 3 ) 2 (X = Cl ( 1 ), Br ( 2 ), I ( 3 ), Me (…