Materials Literature
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Following our recent study on the electronic properties of rough nanoribbons , in this paper the role of geometrical and roughness parameters on the thermal properties of armchair graphene nanoribbons is studied. Employing a fourth nearest-neighbor force constant model in conjuction with the nonequilibrium Green's fun…
The relaxation kinetics of both the thermally trapped and photoinduced high-spin (HS) states of the spin-crossover compound [Fe(H4L)2](ClO4)2·H2O·2(CH3)2CO (1) were measured and found to differ significantly. Calorimetry measurements then demonstrated that relaxation of the thermally trapped phase was concurrent with…
High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations have been used to investigate the adsorption and dissociation of hydrogen on a PdO(101) film grown on Pd(111). Energy-dependent measurements of the O 1s and Pd 3d 5/2 binding energies enable identification of surface compo…
Barium gold polyphosphide BaAu2P4 was synthesized from elements and structurally characterized by single crystal X-ray diffraction. BaAu2P4 crystallizes in a new structure type, in the orthorhombic space group Fddd (No. 70) with a = 6.517(1) Å, b = 8.867(2) Å, c = 21.844(5) Å. The crystal structure of BaAu2P4 consists…
A new hybrid material with dual UV/vis light-harvesting ability has been prepared based on PM546 dye confined in zeolite L nanochannels. Besides the characteristic vis green-yellow absorption of the dye in solution, a new band arises due to specific host–guest interactions, spanning the UV and blue edge of the vis. A…
Lead-based ferroelectric materials are both well-studied and widely used and have a wide range of applications from ultrasonics to energy harvesting and beyond. However, the use of Pb-containing materials is environmentally undesirable, due to the toxicity of lead. This is particularly highlighted by the disposal of P…
This article investigates the performance of polylactic acid (PLA)/polycaprolactone (PCL)/montmorillonite (MMT) nanocomposites toughened with metallocene-catalyzed linear low-density polyethylene (mLLDPE), in terms of mechanical, thermal, and morphological properties. All the results were compared and the influence of…
Herein, we present an innovative approach to monitoring in situ drug release under dynamic flow conditions from aluminum implants featuring nanoporous anodic alumina (NAA) covers used as a model of drug-releasing implants. In this method, reflectometric interference spectroscopy (RIfS) is used to monitor in real-time…
The reorientational dynamics of tetrahydroborate (BH 4 – ) anions in the hexagonal 1:1 LiBH 4 –LiI solid solution were characterized by quasielastic neutron scattering (QENS) with results extended to high momentum transfers ( Q ). Measurements are compared in detail to results for LiBH 4 and to a range of models descr…
The deformation, crack nucleation, coalescence, and rupture process of pure tantalum (99.9 pct) were studied under room temperature quasistatic loading using several in situ and ex-situ techniques including optical metallography, scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), and transmis…
BACKGROUND: Ruminococcus flavefaciens is an important fibre-degrading bacterium found in the mammalian gut. Cellulolytic strains from the bovine rumen have been shown to produce complex cellulosome structures that are associated with the cell surface. R. flavefaciens 007 is a highly cellulolytic strain whose ability t…
BACKGROUND: The aim of this study is determine the relative sensitivity of a panel of seven polyhydroxyalkanoate producing bacteria to a panel of seven lignocellulosic-derived fermentation inhibitors representing aliphatic acids, furans and phenolics. A further aim was to measure the polyhydroxybutyrate production of…
Under mesoscopic conditions, the transport potential on a thin film carrying a current is theoretically expected to bear spatial variation due to quantum interference. Scanning tunneling potentiometry is the ideal tool to investigate such variation, by virtue of its high spatial resolution. We report in this Letter th…
In order to oxidize CO to CO 2 during the process of steam pyrolysis nuclear graphite waste, the adsorption and oxidation of a CO molecule on undoped and N-doped TiO 2 nanoparticles has been studied by first-principles calculations, including the adsorption energies, bond lengths, local density of states (LDOS s ), an…
In this paper, we investigate uniformly dispersed size-selected Pd(n) clusters (n = 4, 10, and 17) on alumina supports. We study the changes of clustered Pd atoms under oxidizing and reducing (O2 and CO, respectively) conditions in situ using ambient pressure XPS. The behavior of Pd in the clusters is quite different…
We report a comprehensive study of the paradigmatic quasi-1D compound (TaSe(4))(2)I performed by means of angle-resolved photoemission spectroscopy (ARPES) and first-principles electronic structure calculations. We find it to be a zero-gap semiconductor in the nondistorted structure, with non-negligible interchain cou…
The unusual magnetic behavior of the first dendritic Fe(3+) complex with general formula [Fe(L)2](+)Cl(-)·H2O based on a branched Schiff base has been investigated by electron paramagnetic resonance (EPR) and Mössbauer spectroscopy. EPR displays that complex consists of the three types of magnetically active iron cent…
BACKGROUND: The purpose of this phase I/II clinical trial was to test safety and effectiveness of 2 doses of vascular targeting cationic liposomes encapsulating paclitaxel (EndoTAG-1 [ET]) in human head and neck squamous cell carcinoma (HNSCC). METHODS: Patients with nonresectable therapy-refractory HNSCC were recruit…
The present study demonstrates the biosynthesis of silver nanoparticles using Trichoderma koningii and evaluation of their antibacterial activity. Trichoderma koningii secretes proteins and enzymes that act as reducing and capping agent. The biosynthesized silver nanoparticles (AgNPs) were characterized by UV–Vis spec…
Carbohydrates and derivatives (such as glycolipids, glycoproteins) are of critical importance for cell structure, metabolism and functions. The effects of carbohydrate and lipid metabolic imbalances most often cause health disorders and diseases. In this study, new carbohydrate-based nanobioconjugates were designed an…