Materials Literature
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The electronic properties of both neutral and anionic (TiO(2))(n) (n = 1-10) clusters are investigated by extensive density functional theory calculations. The predicted electron detachment energies and excitation gaps of anionic clusters agree well with the original experimental anion photoelectron spectra (APES). It…
Oxygen-atom transfer reactions of metalloporphyrin species play an important role in biochemical and synthetic oxidation reactions. An emerging theme in this chemistry is that spin-state changes can play important roles, and a 'two-state' reactivity model has been extensively applied especially in iron porphyrin syste…
Optical limiting of the gold and silver nanocolloids has been studied under CW illumination at 532 nm. Nonlinear and thermo optical properties of the samples were investigated using CW Z-scan experiments. Sign of nonlinear refraction coefficient of colloids are negative at this condition. Negative sign implying therma…
We show that the generation of stacking faults in perfect face-centered-cubic (fcc) crystals, uniaxially compressed along [001], is due to transverse-acoustic phonon instabilities. The position in reciprocal space where the instability first manifests itself is not a point of high symmetry in the Brillouin zone. This…
A series of microporous carbon powders of Brunauer−Emmett−Teller (BET) surface area ranging from 1900 to 2700 m 2 /g was made from pitch-derived semi-cokes by KOH activation at 750 °C. The powders were compacted into disk-shaped monoliths using a furfuryl-alcohol-based binder. Activation with CO 2 was used to open an…
A series of amphiphilic block copolymers functionalized with three different alkyl side chains (alkyl chain length = C 12, C 14, and C 16 ) were synthesized and analyzed via NMR spectroscopy, gel permeation chromatography (GPC), and differential scanning calorimetry (DSC). The block copolymers were obtained in a four-…
A thorough comparison between different QSAR modeling strategies is presented. The comparison is conducted for local versus global modeling strategies, risk assessment, and computational cost. The strategies are implemented using random forests, support vector machines, and partial least squares. Results are presented…
In this article, cactus-like hierarchical structures were fabricated via click chemistry of azide−alkyne 1,3-dipolar Huisgen cycloaddition reaction. It is convenient to control the size of hierarchical particulates and to tune their surface roughness by adjusting the cycles of the click reaction. Dual-sized surface ro…
Dimethyl ether (DME) is widely studied to reduce diesel engine emissions, especially the NOx and smoke emissions. However, the DME and aldehyde emissions are seldom studied. In this paper, a two-cylinder, direct injection diesel engine was applied. Pure diesel and DME were used to study the engine emissions, especiall…
The order parameter in the pressure-induced insulating phase of the filled skutterudite compound PrFe 4 P 12 has been investigated using a high-pressure single-crystal neutron diffraction technique. Clear evidence of the antiferromagnetic order with the propagation vector q = (1, 0, 0) was observed in the insulating p…
Chiral compounds usually behave enantioselectively in phyto-biochemical processes. Imidazolinones are a class of chiral herbicides that are widely used. They inhibit branched-chain amino acid biosynthesis in plants by targeting acetolactate synthase (ALS). It has been reported that the imidazolinone enantiomers show d…
Calcium phosphate (Ca-P) coating on the Ti-6Al-4V alloy enhances osteoblast adhesion and tissue formation at the bone implant interface. In light of this, in the current work a laser-based coating technique was used to synthesize two different micro-textured (100 microm and 200 microm spaced line patterns) Ca-P coatin…
Focused ion beam (FIB) milling has been used to fabricate magnetic nanostructures (wires, squares, discs) from single magnetic layers (Co, permalloy) and spin-valve (permalloy/Cu/Co) multilayers (thicknesses 5-50 nm) prepared by ion beam sputtering deposition. Milled surfaces of metallic thin films typically exhibit r…
We study the optical spectra and near fields of core−shell nanowires (nanoshells), using a recently developed finite-difference method that allows for a spatially nonlocal dielectric response. We first analyze the parameters of the nonlocal model by making comparisons with related experimental data and previous theore…
We report on spin-dependent transport measurements in carbon nanotubes based multiterminal circuits. We observe a gate-controlled spin signal in nonlocal voltages and an anomalous conductance spin signal, which reveal that both the spin and the orbital phase can be conserved along carbon nanotubes with multiple ferrom…
Abstract The anti‐leukemic drug, etoposide (ETO), has variable oral bioavailability ranging from 24–74% with a short terminal half‐life of 1.5 h i.v. necessitating continuous infusion for 24–34 h for the treatment of leukemia. In the present study, etoposide‐loaded PLGA‐based surface‐modified nanoparticles (NPs) with…
Thermotropic ionic liquid crystals (ILCs), 1,1′-dialkyl-4,4′-bipyridinium bis(triflimide)s have been used as binders to fabricate new carbon composite electrodes. ILC compounds possess an ordered molecular orientation, and upon mixing with graphite, ILCs retain their liquid crystal characteristics and thus their order…
In this study, methyl mercaptan (CH 3 SH) gas was used to prepare synthetic odorous gases, and a photocatalytic wet scrubbing process as a new approach was developed for treating such odorous gases. In this process, gaseous CH 3 SH is first absorbed by the solution, and the dissolved CH 3 SH/CH 3 S − is then adsorbed…
This study investigated the use of a Ti-containing quaternary phosphate glass system P(2)O(5)-Na(2)O-CaO-TiO(2) as a vehicle for strontium ion delivery to cells. Four glass compositions were manufactured: 0.5P(2)O(5)-0.15Na(2)O-0.05TiO(2)-(0.3 - x)CaO-xSrO (x = 0, 0.01, 0.03, and 0.05). Structural characterization rev…
Abstract Increasing attention has been paid to layered double hydroxide (LDH) film modified electrode attributing to its desirable properties for fabrication of electrochemical sensor. In this paper, the Zn‐Al LDH film modified glassy carbon electrode was characterized by electrochemical methods. The enhanced electroc…