Materials Literature
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Reactions of the arene-linked bis(pyrazolyl)methane ligands m-bis[bis(1-pyrazolyl)methyl]benzene (m-[CH(pz)2]2C6H4, Lm) and 1,3,5-tris[bis(1-pyrazolyl)methyl]benzene (1,3,5-[CH(pz)2]3C6H3, L3) with BF4- salts of divalent iron, zinc, and cadmium result in fluoride abstraction from BF4- and formation of fluoride-bridged…
Although the beta-rich self-assemblies are a major structural class for polypeptides and the focus of intense research, little is known about their atomic structures and dynamics due to their insoluble and noncrystalline nature. We developed a protein engineering strategy that captures a self-assembly segment in a wat…
Abstract Polyurethane foams were prepared using starch as a main component of polyols and their structural, mechanical, and absorbing properties for organic solvents were investigated. Fourier transform infrared spectra showed that urethane linkage was formed by the reactions between NCO of diisocyanates and OH of p…
The behavior of the ferroelectric instability of cubic barium titanate under increasing hydrostatic pressure is investigated from first principles. Beyond a rapid suppression and then reappearance of this instability at about $140\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$, we highlight a sudden change in the dynamical b…
The halide-binding properties of N-confused porphyrin (NCP, 1) and doubly N-confused porphyrins (trans-N2CP (2), cis-N2CP (3)) were examined in CH2Cl2. In the free-base forms, cis-N2CP (3) showed the highest affinity to each anion (Cl-, Br-, I-) with association constants Ka = 7.8x10(3), 1.9x10(3), and 5.8x10(2) M(-1)…
AIM: The purpose of this study was to analyse the effects of different culture parameters on Gluconacetobacter hansenii (ATCC 10821) to determine which conditions provided optimum cellulose growth. METHODS AND RESULTS: Five culture factors were investigated: carbon source, addition of ethanol, inoculation ratio, pH an…
The intrinsic phosphor properties are of significant importance for the performance of phosphor screens used in medical imaging systems. In previous analytical-theoretical and Monte Carlo studies on granular phosphor materials, values of optical properties, and light interaction cross sections were found by fitting to…
Abstract A series of short‐isora‐fiber‐reinforced natural rubber composites were prepared by the incorporation of fibers of different lengths (6, 10, and 14 mm) at 15 phr loading and at different concentrations (10, 20, 30, and 40 phr) with a 10 mm fiber length. Mixes were also prepared with 10 mm long fibers treated…
The hydrolysis reaction of guanosine triphosphate (GTP) by p21(ras) (Ras) has been modeled by using the ab initio type quantum mechanical-molecular mechanical simulations. Initial geometry configurations have been prompted by atomic coordinates of the crystal structure (PDBID: 1QRA) corresponding to the prehydrolysis…
Abstract The aim of the study is the development of an intumescent nanocomposite coating to provide fire protection for the metallic substrate. Acrylic nanocomposites containing nanoclay and relative intumescent nanocoatings are prepared. The effect of nanoclay on the thermal degradation of an intumescent nanocomposit…
Abstract Poly(ethylene terephthalate) (PET) nanocomposites reinforced with multiwall carbon nanotubes (MWCNTs) were prepared through melt compounding in a twin‐screw extruder. The presence of MWCNTs, which acted as good nucleating agents, enhanced the crystallization of PET through heterogeneous nucleation. The incorp…
A model of charge transfer mechanism from CuO chains to CuO2 planes has been proposed to account for doping of the planes, assuming that only chains containing more than three oxygen atoms can contribute to hole transfer. Only chains with length l greater than 4 are assumed to have transferred a certain fraction, appr…
The magnetic switching of ferromagnetic nanotubes is investigated as a function of their geometry. Two independent methods are used: Numerical simulations and analytical calculations. It is found that for long tubes the reversal of magnetization is achieved by two mechanism: The propagation of a transverse or a vortex…
Abstract Fabrication of Zn 1−x Mg x O films by atomic layer deposition (ALD) has been studied for use as buffer layers in Cu(In,Ga)Se 2 (CIGS)‐based solar cell devices. The Zn 1−x Mg x O films were grown using diethyl zinc, bis‐cyclopentadienyl magnesium and water as precursors in the temperature range from 105 to 180…
Zinc aluminate spinels (ZnAl 2 O 4 ) with mesopore networks and unusually high specific surface areas have been prepared through a self-generated template pathway using a single-source Zn−Al layered double hydroxide as precursor. This strategy involves calcination of the molecular precursor at 500 °C or above, followe…
We demonstrate passive feedback cooling of a mechanical resonator based on radiation pressure forces and assisted by photothermal forces in a high-finesse optical cavity. The resonator is a free-standing high-reflectance micro-mirror (of mass m=400ng and mechanical quality factor Q=10^4) that is used as back-mirror in…
The quantum magnet NiCl$_2$-4SC(NH$_2$)$_2$ is a candidate for observing Bose-Einstein Condensation of spin degrees of freedom in applied magnetic fields. An XY antiferromagnetic ordered state occurs in a dome-shaped region of the temperature-field phase diagram between H$_{c1}$ = 2.1 T and H$_{c2}$ = 12.6 T and below…
Electronic structure codes usually allow to calculate the work function as a part of the theoretical description of surfaces and processes such as adsorption thereon. This requires a proper calculation of the electrostatic potential in all regions of space, which is apparently straightforward to achieve with plane wav…
We present a simple, robust and highly efficient method for optimizing all parameters of many-body wave functions in quantum Monte Carlo calculations, applicable to continuum systems and lattice models. Based on a strong zero-variance principle, diagonalization of the Hamiltonian matrix in the space spanned by the wav…
ADVERTISEMENT RETURN TO ISSUEPerspectiveNEXTPaclitaxel Prodrugs: Toward Smarter Delivery of Anticancer AgentsMariusz Skwarczynski, Yoshio Hayashi, and Yoshiaki KisoView Author Information Department of Medicinal Chemistry, Center for Frontier Research in Medicinal Science, 21st Century COE Program, Kyoto Pharmaceutica…