Materials Literature
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We have systematically investigated the electronic structure of the d⁴ metal-salen complexes including the Cr(II)-, Mn(III)-, Fe(IV)-, Mo(II)-, Tc(III)-, and Ru(IV)-salen complexes. Density functional theory (DFT) has been employed, using the BP86 and B3LYP functionals, and the entire M05 and M06 suites of meta-genera…
A gradient of director through the thickness of a nematic glass cantilever gives a gradient in the large distortions such materials suffer in response to temperature or illumination changes. We first sketch, within isotropic elasticity, how such gradients cause these cantilevers to respond by bending. We then derive t…
State-of-the-art tube models for the dynamics of entangled polymer melts are usually validated on the basis of the agreement of their predictions for the linear viscoelastic properties (LVE data) of the system against experimentally measured data. We present here a more direct and fundamental test of these models base…
Abstract The Au/polyvinyl alcohol (PVA) (Co, Zn‐doped)/n‐Si Schottky barrier diodes (SBDs) were exposed to various illumination intensities. Illumination effect on the dielectric properties has been investigated by using capacitance–voltage (C–V) and conductance–voltage (G/ω–V) characteristics at 1 MHz and room temper…
Phase change accompanying conversion of a saturated or superheated vapor in the presence of subcooled surfaces is one of the most common occurring phenomena in nature. The mode of phase change that follows such a transformation is dependent upon surface properties such as contact angle and thermodynamic conditions of…
Sandwich materials have been widely used in weight-sensitive structures in many fields, especially in the transport industry. There are different classes of sandwiches with a wide range of materials and properties within each type. The aim of this article is the comparison of the impact strength between polymeric and…
Melamine (M) sensing has been achieved through supramolecular assembly with riboflavin (R) via H-bonding in the platform of R stabilized gold nanoparticles (R-Au NPs), by colorimetric as well as UV-vis techniques.
We report herein a versatile synthesis of cyclodextrin-based polyrotaxanes (CD-PRs). Three different CD-PRs were synthesized from different linear polymers and different CDs with relatively good yields by a novel single method. This method requires no additional capping reagents, because CDs play a dual role as both t…
Nerve wrapping can improve outcomes by protecting nerves in a scarred tissue bed. Autologous tissue wraps have shown good results, but there are limitations associated with harvesting and availability. Extracellular matrix (ECM) derived from porcine small intestinal submucosa offers an attractive off-the-shelf option.…
A new class of readily tunable isocyano rhenium(I) diimine luminophores, cis,cis-[Re(CO)(2)(CNR)(2)(N-N)](+) (R=2,4,6-Cl(3)C(6)H(2), 4-ClC(6)H(4), 4-Br-2,6-(CH(3))(2)C(6)H(2), 2,6-(CH(3))(2)C(6)H(3), 4-[(CH(3))(2)N]C(6)H(4), 4-(C(6)H(5))C(6)H(4), 4-nBuC(6)H(4), tBu), has been synthesized in high yield by a highly sele…
The increase of observations and computational capabilities favoured the numerical simulation of microstructure to derive the effective properties of materials. Indeed, the multiscale approaches, that use homogenization techniques, enable us to estimate or to give bounds of the overall properties of heterogeneous medi…
A novel two-step procedure for the preparation of block copolymers by combination of atom transfer radical polymerization (ATRP) and visible light radical photopolymerization (VLRP) methods is described. In the first step of the procedure, ω-bromide functional polystyrene (PSt-Br) was synthesized by ATRP of styrene (S…
In this letter we evaluate the accuracy of the first reaction method (FRM) as commonly used to reduce the computational complexity of mesoscale Monte Carlo simulations of geminate recombination and the performance of organic photovoltaic devices. A wide range of carrier mobilities, degrees of energetic disorder, and a…
Cellular materials with hollow lattice truss topologies exhibit higher compressive strengths than equivalent structures with solid trusses owing to their greater resistance to plastic buckling. Consequently, hollow trusses have attracted interest as the cores for sandwich panels. Finite-element calculations are used t…
Abstract Thin ZnSnO films are evaluated as new buffer layer material for Cu(In,Ga)Se2‐based solar cell devices. A maximum conversion efficiency of 13.8% (Voc = 691 mV, Jsc(QE) = 27.9 mA/cm2, and FF = 71.6%) is reached for a solar cell using the ZnSnO buffer layer which is comparable to the efficiency of 13.5% (Voc…
Abstract Polystyrene microcapsules with paraffin wax as the active agent [phase‐change material (PCM)] were produced by a Shirasu porous glass emulsification technique and a subsequent suspension‐like polymerization process. The suitability of the obtained microcapsules for textile applications was studied. The therma…
Positron emission tomography (PET) is used in drug development to assist dose selection and to establish the relationship between blood and tissue pharmacokinetics (PKs). We present a new biomathematical approach that allows prediction of repeat-dose (RD) brain target occupancy (TO) using occupancy data obtained after…
PURPOSE: In this study, the effect of polyamidoamine (PAMAM) dendrimers on the solubility of silybin was investigated. The in vitro drug release and the pharmacokinetics of silybin-dendrimer complex were also investigated. METHODS: The solubilization of silybin by PAMAM dendrimers of generation G1.5, G2, G2.5, and G3…
Using high-resolution synchrotron powder x-ray diffraction, we have investigated the stability and equation of state (EOS) of hafnia ${\text{HfO}}_{2}$ phases under high pressures before and after laser heating to high temperatures. We observe three phases with increasing pressure: baddeleyite (monoclinic, MI), orthor…
For the first time, the concept of polymerizable nonionic benzoxazine surfactants is described. Different target structures with varying hydrophobic−lipophilic balance (HLB) values were synthesized and successfully tested for the miniemulsification of two N-aliphatic and N-aromatic benzoxazine resins. As a model syste…