Materials Literature
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Adenylate kinase undergoes large-scale motions of its LID and AMP-binding (AMPbd) domains when its apo, open form closes over its substrates, AMP and Mg2+-ATP. It may be an example of an enzyme that provides an ensemble of conformations in its apo state from which its substrates can select and bind to produce catalyti…
Abstract Zinc hydroxystannate (ZHS)‐coated metal hydroxides were prepared. The effects of ZHS‐coated metal hydroxides on flame retardancy and smoke suppression of flexible poly vinyl chloride were studied by means of the limiting oxygen index, smoke density rating and the char yield test. The mechanism was investigate…
Abstract The electrochemical growth of carbon nanotubes (CNTs) – conducting polymer composites offers the ability to produce three‐dimensional nanostructured films that combine the redox pseudo‐capacitive charge storage mechanism of conducting polymers with the high surface area and conductivity of CNTs [1–3]. In this…
We investigated the crystallization kinetics of a hard sphere colloid-polymer mixture at conditions where about 95% of solid coexists with about 5% of fluid. From time resolved Bragg and small angle light scattering, we find that the crystallite size increases with a power law of exponent alpha approximately 1/3 durin…
Pt 13 clusters with extraordinarily high magnetization are interesting samples in the area of CO chemistry. For the first time paramagnetic platinum carbonyl samples were prepared and characterized by electron paramagnetic resonance (EPR) spectroscopy to improve the understanding of the CO adsorption effect on the str…
Single phase microcrystalline ribbon flakes with the average elemental composition Ni 50.4 Mn 34.9 In 14.7 were produced by rapid quenching using melt spinning technique. Fracture cross section micrographs of ribbons show the formation of a columnar-like microstructure, with the longer axis of grains aligned perpendic…
Light scattering techniques are widely used in many fields of condensed and soft matter physics. Usually these methods are based on the study of the scattered light in the far field. Recently, a new family of near field detection schemes has been developed, mainly for the study of small angle light scattering. These t…
Water dispersible nanofibrilar polyaniline (NF-PANI) provides a novel and direct route towards carbon nanotube water dispersions of high concentration. Carrying out the chemical synthesis of NF-PANI in the presence of carbon nanotubes (CNTs) results in an entirely nanostructured nanofibrilar polyaniline/carbon nanotub…
Probably the most unusual class of proteins in nature is the intrinsically unstructured proteins (IUPs), because they are not structured yet play essential roles in protein-protein signaling. Many IUPs can bind different proteins, and in many cases, adopt different bound conformations. The p21 protein is a small IUP (…
The mechanisms governing the tensile behavior of TiO(2) nanowires were studied by molecular dynamics simulations. Nanowires below a threshold diameter of about 10 A transformed into a completely disordered structure after thermodynamic equilibration, whereas thicker nanowires retained their crystalline core. Initial e…
The current work investigates the four-wave mixing (FWM) signal from gold nanorods (NRs) using two synchronized lasers and its potential applications in bioimaging. Using the lightning rod model, we show that the strongest FWM occurs when the pump laser wavelength is tuned to be resonant with the longitudinal plasmon…
The reactions of aluminosilicate clusters with water are investigated using ab initio calculations. There are several reaction sites on a mineral surface, and, in the case of aluminosilicates, the dissolution chemistry is dictated by chemically distinct surface termination sites: Al and Si. Environmental factors such…
We propose that the molar volume minimum observed in barium silicate glasses $(1\ensuremath{-}x){\text{SiO}}_{2}\ensuremath{-}x\text{BaO}$ is related to the onset of an adaptative rigid glassy network. We obtain in the compositional window $29%<x<33%$ a dramatic decrease in stressed rigid local units from the Ra…
Abstract The effects of the lamellar growth direction, extinction rings, and spherulitic boundaries of poly(butylene succinate) (PBSU) on the spherulitic growth of poly(ethylene oxide) (PEO) were investigated in miscible blends of the two crystalline polymers. In the crystallization process from a homogeneous melt, PB…
Microreaction provides a controllable tool to synthesize CdSe nanocrystals (NCs) in an accelerated fashion. However, the surface traps created during the fast growth usually result in low photoluminescence (PL) efficiency for the formed products. Herein, the reproducible synthesis of highly luminescent CdSe NCs direct…
Density functional approximation (B3LYP) calculations have been used in order to analyze the interaction of gold anionic clusters (Au(n) with n = 2-4) with uracil ([uracil-Au(n)](-1)), adenine ([adenine-Au(n)](-1)), and the adenine-uracil base pair ([uracil-adenine-Au(n)](-1)). It was found that there is only one stab…
We report quantitative changes to the fluorescent characteristics of quantum dots (QDs) following gamma irradiation. One CdSe/ZnS QD ensemble synthesized via a wet-chemistry approach was dispersed in hexane. Six identical dispersions were prepared, three of which were unexposed controls, whereas the other three were i…
Molecular dynamics (MD) simulations were performed to investigate the adsorption mode of a short three-residue peptide, namely H-Lys-Glu-Lys-NH 2, having only hydrophilic amino acids with alternating negative and positive charges, on titanium dioxide, muscovite mica, and graphite surfaces and to characterize its confo…
N-acyl-L-homoserine lactone hydrolase (AHL lactonase) is a dinuclear zinc enzyme responsible for the hydrolytic ring opening of AHLs, disrupting quorum sensing in bacteria. The reaction mechanism is investigated using hybrid density functional theory. A model of the active site is designed on the basis of the X-ray cr…
Abstract Porous carbon nanofibers were prepared through electrospinning a blend solution of polyacrylonitrile and poly( L ‐lactide), followed by carbonization at different temperatures and in different atmospheres. Structural features of these porous carbon nanofibers were characterized using scanning electron microsc…