Materials Literature
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Protein-protein interfaces are often stabilized by a small number of dominant contacts, exemplified by the overrepresentation of arginine residues at oligomerization interfaces. Positively charged arginines are most commonly involved in ion pairs of opposite charge; however, previous work of Scheraga and co-workers de…
A fiber optic interferometric sensor with an intrinsic transducer along a length of the fiber is presented for ultrasound measurements of the acoustic emission from partial discharges inside oil-filled power apparatus. The sensor is designed for high sensitivity measurements in a harsh electromagnetic field environmen…
The Pepper leaves extract acts as a reducing and capping agent in the formation of silver nanoparticles. A UV–Vis spectrum of the aqueous medium containing silver nanoparticles demonstrated a peak at 458 nm corresponding to the plasmon absorbance of rapidly synthesized silver nanoparticles that was characterized by UV…
Facile preparation of water-soluble and fluorescent Ag nanoclusters (NCs) stabilized by glutathione at room temperature is described. Although the glutathione layer was introduced to prevent the silver nanoparticles from decomposition and increase their water solubility, this simple surface optimization resulted in su…
The use of kinetically robust chromium(III) fluorido complexes as synthons for mixed 3d-4f clusters is reported. The tendency toward linear {Cr(III)-F-Ln(III)} units dictates the cluster topology. Specifically, we show that reaction of cis-[Cr(III)F(2)(NN)(2)]NO(3) (NN = 1,10-phenanthroline ("phen") or 2,2'-bipyridine…
We describe a method of controlled evaporation on a textured substrate for self-assembling and shaping gold-nanorod-based materials. Tridimensional wall features are formed over areas as large as several square millimeters. Furthermore, analyses by small-angle X-ray scattering and scanning electron microscopy techniqu…
Finite plasticity theories are still a subject of controversy and lively discussions. Among the approaches to finite elastoplasticity two became especially popular. The first, implemented in the commercial finite element codes, is based on the introduction of a hypoelastic constitutive law and the additive elastic-pla…
We examine the quantum spin state of a single nitrogen-vacancy (NV) center in diamond at room temperature as it makes a transition from the orbital ground state (GS) to the orbital excited state (ES) during nonresonant optical excitation. While the fluorescence readout of NV-center spins relies on conservation of the…
Atomistic simulations reveal that the chemical reactivity of ceria nanorods is increased when tensioned and reduced when compressed promising strain-tunable reactivity; the reactivity is determined by calculating the energy required to oxidize CO to CO 2 by extracting oxygen from the surface of the nanorod. Visual rea…
The effective chemotherapy for glioblastoma multiform (GBM) requires a nanomedicine that can both penetrate the blood-brain barrier (BBB) and target the glioma cells subsequently. In this study, Transferrin (Tf) modified cyclo-[Arg-Gly-Asp-d-Phe-Lys] (c[RGDfK])-paclitaxel conjugate (RP) loaded micelle (TRPM) was prepa…
Copolymerization of ε-caprolactone and methyl methacrylate with (1- tert -butyl-4,4,4-tris(dimethylamino)-2,2-bis[tris(dimethylamino)phophoranylidenamino]-2Λ5,Λ5-catenadi(phosphazene) ( t -BuP 4 ) as the catalyst has been studied. Nuclear magnetic resonance (NMR) and differential scanning calorimetry (DSC) measurement…
Charge-transfer-induced spin transition occurs cooperatively and reversibly in the isolated FeIII2CoII chains of {[Fe(pzTp)(CN)3]2Co(4-styrylpyridine)2}⋅2 H2O ⋅2 CH3OH (1). When 1 is irradiated with 532 nm light, it shows single-chain magnetic behavior with no antiferromagnetic ordering after irradiation (see picture;…
Abstract The thermoelectric properties of the layered oxides K x RhO 2 (x = 1/2 and 7/8) are investigated by means of the electronic structure, as determined by ab inito calculations and Boltzmann transport theory. In general, the electronic structure of K x RhO 2 is similar to Na x CoO 2 , but with strongly enhanced…
The fully two-dimensional Peierls barrier map of screw dislocations in BCC iron has been calculated using the first principles method to identify the migration path of a dislocation core. An efficient method to correct the effect of the finite size cell used in the first principles method on the energy of a lattice de…
We have investigated the electronic and magnetic response of a single Fe atom and a pair of interacting Fe atoms placed in patterned dehydrogenated channels in graphane within the framework of density functional theory. We have considered two channels: ``armchair'' and ``zigzag'' channels. Fully relaxed calculations h…
Issues of Ge hut array formation and growth at low temperatures on the Ge/Si(001) wetting layer are discussed on the basis of explorations performed by high resolution STM and in-situ RHEED. Data of HRTEM studies of multilayer Ge/Si heterostructures are presented with the focus on low-temperature formation of perfect…
Ab initio calculations using the local spin density approximation and also including the Hubbard $U$ have been performed for three low energy configurations of the interface between LaAlO$_3$ and TiO$_2$-anatase. Two types of interfaces have been considered: LaO/TiO$_2$ and AlO$_2$/TiO, the latter with Ti-termination…
Microcrystals of orthorhombic nickel (II) oxalate dihydrate were synthesized through a precipitation reaction of aqueous solutions of nickel chloride and oxalic acid. Magnetic susceptibility exhibits a sharp peak at 3.3 K and a broadrounded maximum near 43 K. We associated the lower maximum with a metamagnetic transit…
We theoretically investigate the interplay between local lattice distortions around $\rm{Mn^{2+}}$ ion impurity and the ion's magnetic polarization, mediated through spin-orbit coupling of hole. We show that the tetrahedral symmetry around $\rm{Mn^{2+}}$ ion impurity is spontaneously broken even in the paramagnetic re…
The growth and atomic/electronic structure of molecular beam epitaxy (MBE)-grown ErAs nanoparticles and nanorods embedded within a GaAs matrix are examined for the first time via cross-sectional scanning tunneling microscopy (XSTM) and spectroscopy (XSTS). Cross sections enable the interrogation of the internal struct…