Materials Literature
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We study the transport of heat along a chain of particles interacting through a harmonic potential and subject to heat reservoirs at its ends. Each particle has two degrees of freedom and is subject to a stochastic noise that produces infinitesimal changes in the velocity while keeping the kinetic energy unchanged. Th…
The proline catabolic enzyme Δ(1)-pyrroline-5-carboxylate dehydrogenase (ALDH4A1) catalyzes the NAD(+)-dependent oxidation of γ-glutamate semialdehyde to l-glutamate. In Saccharomyces cerevisiae, ALDH4A1 is encoded by the PUT2 gene and known as Put2p. Here we report the steady-state kinetic parameters of the purified…
Nucleation and healing of structural defects in single-walled carbon nanotubes (SWCNTs) studied through reactive molecular dynamics simulations (RMD) and RMD trajectories reveal formation and healing mechanisms of various topological defects on the catalyst surface. A quality percentage of nanotubes is measured by cal…
We carry out an accurate computational analysis on the nature and distribution of electronic trap states in shape-tailored anatase TiO2 structures, investigating the effect of the morphology on the electronic structure. Linear nanocrystal models up to 6 nm in length with various morphologies, reproducing both flattene…
Micropatterning techniques independent of high-cost facilities are highly appreciated in bioanalysis and optoelectronics. Here we report a novel nonlithographic method based on self-assembled honeycomb films with through pores for micropatterning of zinc oxide nanowires (ZnO NWs). The ordered films were prepared via t…
In this work a highly fluorescent hybrid material with strong anisotropic response is obtained by “one-pot” synthesis. The system is based on the “in situ” encapsulation of two chromophores, acridine (AC) and pyronine Y (PY), with similar molecular structure but perpendicular dipole moment vectors, into the 1D-nanocha…
A series of nanocrystals Y 1- x Eu x VO 4 ( x = 0–0.1) were prepared by isothermal and isochronal hydrothermal reactions using citric acid as the capping agent. All nanocrystals were controlled to show particle sizes ranging from 7 to 36 nm, which gives rise to the grain growth kinetics in terms of an equation, D 5 =…
Abstract Aluminum hydroxide [Al(OH) 3 ] film on wood substrate has been synthesized by means of the hydrothermal (HT) method for improvement of wood’s mechanical properties and resistance to combustion. The HT temperature was set to 100°C and 120°C, and the reaction time varied from 4 h to 10 h. X-ray diffraction (XRD…
Cell behavior in the presence of nanomaterials is typically explored through simple viability assays, but there is mounting evidence that nanomaterials can have more subtle effects on a variety of cellular functions. Previously our lab demonstrated that gold nanorods functionalized with polyelectrolyte multi-layers in…
Transition metal dioxides (BO2) exhibit a number of polymorphic structures with distinct properties, but the isolation of different polymorphs for a given composition is carried out using trial and error experimentation. We present computational studies of the relative stabilities and equations of state for six polymo…
Modern, high frequency, microwave devices for communications technologies can be made with thin ferromagnetic films with narrow microwave resonance linewidths. Recently, there has been interest in magnetostrictive materials where the material constants can change substantially with stresses and applied magnetic fields…
Many functional films including heat spreaders, ultrahigh density information storage systems, capacitors, batteries, and fuel cell membranes require enhanced through thickness properties. In this paper, we describe a design and demonstration of a multipurpose novel film formation process to orient and align functiona…
The reaction of hydroxybenzohydrazide with o-vanillin yields 2-hydroxy-N'-[(2-hydroxy-3-methoxyphenyl)methylidene]benzohydrazide (LH3), a ligand that is able to give mononuclear and tetranuclear copper complexes but also to associate copper and gadolinium ions in a Cu2-Gd2 heterotetranuclear complex. This synthesis is…
Poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) and PHBV-gelatin were electrospun to obtain defect-free nanofibers by optimizing various process and solution parameters. Tensile strength, Young's modulus, and wettability of PHBV-gelatin nanofibrous scaffold were determined and compared with PHBV nanofibrous scaffo…
In this study, microbial cellulose production by Acetobacter xylinum 0416 using standardized liquid pineapple waste was carried out in a 4-L rotary disc reactor (RDR). The objective of this study was to optimize the process parameters for production of microbial cellulose in the RDR. The effects of the disc rotation s…
ABSTRACT In this study, a series of aromatic copolyesters P‐BPAx with lower melting temperature and higher glass transition temperature derived from hydroxybenzoic acid (HBA), 6‐hydroxy‐2‐naphthoic acid (HNA), bisphenol A (BPA) and terephthalic acid (TA) were synthesized via melt polymerization. The copolyesters were…
We find that the density dependence of the glass transition temperature of Lennard-Jones (LJ) and Weeks-Chandler-Andersen (WCA) systems can be predicted from properties of the zero-temperature (T=0) glasses. Below a crossover density ρs, LJ and WCA glasses show different structures, leading to different vibrational pr…
Zero field splitting (ZFS) parameters of several nondeuterated metalloporphyrins [M(TPP)Cl] and [Mn(TPP)] (H2TPP = tetraphenylporphyrin) have been directly determined by inelastic neutron scattering (INS). The ZFS values are the following: D = 6.33(8) cm(-1) for [Fe(TPP)Cl], -2.24(3) cm(-1) for [Mn(TPP)Cl], 0.79(2) cm…
Unusual behaviour of the dark conglomerate (DC) phase seen in an oxadiazole-based achiral bent-core liquid crystal, which has not previously been reported for the DC phase of other liquid crystals, is described. Under polarising optical microscopy, we see no domains of opposite handedness in the ground state of the DC…
The magnetotransport phase diagram of half-doped manganites ${\text{Ln}}_{0.5}{\text{A}}_{0.5}{\text{MnO}}_{3}$ ($\text{Ln}={\text{La}}^{3+}$, ${\text{Nd}}^{3+}$, etc., and $\text{A}={\text{Sr}}^{2+}$, ${\text{Ca}}^{2+}$, etc.) is primarily dictated by the bare conduction bandwith (${W}_{0}$), which itself is controll…