Materials Literature
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Recent studies have demonstrated the abilities of solid-state NMR techniques to solve atomic-level-resolution structures and dynamics of membrane-associated proteins and peptides. However, high-throughput applications of solid-state NMR spectroscopy are hampered by long acquisition times due to the low sensitivity of…
In this article, we extend the application of the Gaussian processes technique to classification quantitative structure-activity relationship modeling problems. We explore two approaches, an intrinsic Gaussian processes classification technique and a probit treatment of the Gaussian processes regression method. Here,…
The effects of high power ultrasound of 24 kHz and ultrasound bath of 24 kHz frequency on the textural and pasting properties of corn starch suspensions was examined. Suspensions were treated with different intensities and treatment times (15 min and 30 min) using an ultrasound probe set and bath. The treatments with…
A thorough theoretical investigation of four promising green energetic materials is presented. The kinetic stability of the dinitramide, trinitrogen dioxide, pentazole, and oxopentazole anions has been evaluated in the gas phase and in solution by using high-level ab initio and DFT calculations. Theoretical UV spectra…
We study the dc Josephson effect in a diffusive multilayered ${\text{SF}}^{\ensuremath{'}}{\text{FF}}^{\ensuremath{'}}\text{S}$ structure, where S is a superconductor and F and ${\text{F}}^{\ensuremath{'}}$ are different ferromagnets. We assume that the exchange energies in the ${\text{F}}^{\ensuremath{'}}$ and F laye…
We report a study of xyloglucan (XG)-cellulose interactions made possible by the preparation of various well-defined cellulosic and xyloglucosidic substrates. Bacterial microcrystalline cellulose (BMCC) as well as cellulose whiskers (CellWhisk) were used as cellulosic substrates. Xyloglucosidic substrates were obtaine…
We study the dynamics of the Taylor-Couette flow of shear banding wormlike micelles. We focus on the high shear rate branch of the flow curve and show that for sufficiently high Weissenberg numbers, this branch becomes unstable. This instability is strongly subcritical and is associated with a shear stress jump. We fi…
Dispersive metamaterials are artificial composite media with magnetodielectric losses so that they naturally radiate in their surrounding. Here we theoretically investigate both radiative and nonradiative heat exchanges between two metamataterials. We show that the presence of magnetic surface modes and the ferromagne…
Abstract Surface acidity of solids (ZSM‐5 zeolites, Y zeolite, mordenite and Ca‐bentonite) were investigated with Fourier transform infrared spectroscopy (FTIR) and Hammett acidity functions; the n‐butylamine titration method. In the amine titration method, acid strength of solids were found. The total acid amount of…
High temperature (>1000 K) reaction kinetics in the stoichiometric (1:1 by molar ratio) Al-Ni system was investigated by using the, so-called, electrothermal analysis (ETA) method. ETA is the only technique that allows studying kinetics of a heterogeneous gasless reaction at temperatures above the melting points of th…
Hybrid DFT/classical molecular dynamics of the long-lived triplet excited state of [Ru(bpy)(3)](2+) (bpy=2,2'-bipyridine) in aqueous solution is used to investigate the solvent-mediated electron localization and dynamics in the triplet metal-to-ligand charge-transfer (MLCT) state. Our studies reveal a solvent-induced…
This study aims to develop self-assembled poly(ethylene glycol)-poly(epsilon-caprolactone)-poly(ethylene glycol) (PEG-PCL-PEG, PECE) micelles to encapsulate hydrophobic honokiol (HK) in order to overcome its poor water solubility and to meet the requirement of intravenous administration. Honokiol loaded micelles (HK-m…
Composite particles with different mass ratios of Fe 2 O 3 and Al 2 O 3 were prepared using a sol−gel method and were examined for use in chemical looping combustion through repeated reduction and oxidation cycles in a packed bed reactor at 850 °C. Unlike traditional chemical looping combustion which reduces an oxygen…
A new approach of asymmetric supramolecular catalysis has been developed by combining the supramolecular recognition of beta-cyclodextrin (beta-CD) and the superior property of a chiral primary amine catalyst. The resulted beta-CD enamine catalysts could effectively promote asymmetric direct aldol reactions with excel…
Laser-induced growth of optical damage can limit component lifetime and, therefore, increase operating costs of large-aperture fusion-class laser systems. While far-infrared (IR) lasers have been used previously to treat laser damage on fused silica optics and render it benign, little is known about the effectiveness…
Nanotechnology is the science and engineering concerned with the design, synthesis, and characterization of materials and devices that have a functional organization in at least one dimension on the nanometer (i.e., one billionth of a meter) scale. The potential impact of bottom up self-assembling nanotechnology, cust…
Substituent effects in Cl(-)...C(6)H(6-n)X(n) complexes, models for anion/pi interactions, have been examined using density functional theory and robust ab initio methods paired with large basis sets. Predicted interaction energies for 83 model Cl(-)...C(6)H(6-n)X(n) complexes span almost 40 kcal mol(-1) and show an e…
Measurement of drug solubility is one of the key elements of active pharmaceutical ingredient (API) characterization during the drug discovery and development process. This report is a critical review of experimental methods reported in the literature for the measurement of aqueous solubility of amorphous, partially c…
BACKGROUND: Evolutionarily unrelated proteins that catalyze the same biochemical reactions are often referred to as analogous - as opposed to homologous - enzymes. The existence of numerous alternative, non-homologous enzyme isoforms presents an interesting evolutionary problem; it also complicates genome-based recons…
A new chemosensor-based approach to the detection of nitroaromatics is described. It involves the analyte-induced quenching of excimer emission of a dipyrenyl calix[4]arene (L). The chemical and photophysical properties of the complexes formed between L and mono-, di-, and trinitrobenzene, and di- and trinitrotoluene…