Materials Literature
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CE-MC server (http://cemc.sdsc.edu) provides a web-based facility for the alignment of multiple protein structures based on C-alpha coordinate distances, using combinatorial extension (CE) and Monte Carlo (MC) optimization methods. Alignments are possible for user-selected PDB (Protein Data Bank) chains as well as for…
Our structural knowledge of the major facilitator superfamily (MFS) has dramatically increased in the past year with three structures of proteins from the MFS (oxalate/formate antiporter; lactose/proton symporter and the P(i)/glycerol-3-phosphate antiporter). All three structures revealed 12 transmembrane helices form…
The band-edge relaxation dynamics in isolated and bundled single-walled carbon nanotubes (SWNTs) were studied with ultrafast transient absorption spectroscopy. The loss of the excited state population was unexpectedly fast, with $>90%$ of the transient absorption signal recovering in a few hundred fs. For isolated…
Abstract Summary: Biobased neat epoxy materials containing epoxidized linseed oil (ELO) were processed with an anhydride curing agent. A defined amount of the diglycidyl ether of bisphenol F (DGEBF) was replaced by ELO. The selection of the DGEBF, ELO, and an anhydride curing agent resulted in an excellent combination…
Cisplatin has been one of the most widely used and most effective cytotoxic agents in the treatment of malignancies but causes severe adverse reactions including nausea/vomiting, renal toxicity, gastrointestinal toxicity, peripheral neuropathy, asthenia, and ototoxicity. A liposomal formulation of cisplatin, Lipoplati…
Optically perfect single crystals of BPO 4 (BPO) have been grown by the top-seeding flux method. The refractive indices are measured with the prism minimum-deviation method for the first time, on the basis of which the Sellmeier equation is obtained. The measured powder nonlinear optical second-harmonic generation eff…
Asymmetrically arranged dendrimers with a carbazole dendron and a phenylazomethine dendron were synthesized by the combination of Ullmann reaction and a dehydration reaction in the presence of titanium tetrachloride. Stepwise complexation in the phenylazomethine dendron unit within these dendrimers and SnCl 2 suggests…
Analysis of the genome sequence of the polyhydroxyalkanoate- (PHA) accumulating bacterium Ralstonia eutropha strain H16 revealed three homologues (PhaP2, PhaP3 and PhaP4) of the phasin protein PhaP1. PhaP1 is known to constitute the major component of the layer at the surface of poly(3-hydroxybutyrate), poly(3HB), gra…
The solid solubility of R ions (R = Ho 3+ , Dy 3+ , and Y 3+ ) in the BaTiO 3 perovskite structure was studied by quantitative electron‐probe microanalysis (EPMA) using wavelength‐dispersive spectroscopy (WDS), scanning electron microscopy (SEM), and X‐ray diffractometry (XRD). Highly doped BaTiO 3 samples were prepar…
Polysialic acid (PSA) is a post-translational protein modification that is widely expressed among neural cell types during development. Found predominantly on the neural cell adhesion molecule (NCAM), PSA becomes restricted to regions of neurogenesis and neuroplasticity in the adult. In the mammalian genome, two polys…
We show that the glass transition predicted by the Mode-Coupling Theory (MCT) is a critical phenomenon with a diverging length and time scale associated to the cooperativity of the dynamics. We obtain the scaling exponents ν and z that relate space and time scales to the distance from criticality, as well as the scali…
Abstract The developments on long-term protection of rubber against aerobic aging are reviewed. Although conventional antidegradants such as N-isopropyl-N'-phenyl-p-phenylenediamine (IPPD) and N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine (6PPD) are still the most widely used antidegradants in rubber, there is a…
Structural refinements of single crystal X-ray diffraction data for synthetic (Sb,Bi) 2 S 3 solid solutions revealed structural variations in the stibnite (Sb 2 S 3 )-bismuthinite (Bi 2 S 3 ) series. Coordination environments of the M cations are (3 + 4)-fold for the M1 site and (5 + 2)-fold for the M2 site. For the M…
We present first-principles density-functional calculations and downfolding studies of the electronic and magnetic properties of the layered quantum spin system TiOCl. We discuss explicitly the nature of the exchange paths and the concept of orbital ordering in this material. An analysis of the electronic structure of…
We present an efficient scheme for representing many-body wavefunctions in quantum Monte Carlo (QMC) calculations. The scheme is based on B-splines (blip functions), which consist of localized cubic splines centred on the points of a regular grid. We show that blip functions are unbiased, systematically improvable, an…
We have used diffusion quantum Monte Carlo (DMC) calculations to study the pressure-induced phase transition from the diamond to $β$-tin structure in silicon. The calculations employ the pseudopotential technique and systematically improvable B-spline basis sets. We show that in order to achieve a precision of 1 GPa i…
This paper is an attempt to analyse most of the complicated mechanisms involved in charging and discharging of insulators investigated by scanning electron microscopy (SEM). Fundamental concepts on the secondary electron emission (SEE) yield from insulators combined with electrostatics arguments permit to reconsider,…
Au nanoparticle-amplified surface plasmon resonance (PA-SPR), like traditional SPR, is typically used to detect binding events at a thin noble metal film. Here we describe the use of SiO 2 -overcoated Au films as a substrate for PA-SPR. Changes in SPR angle shift upon Au nanosphere binding were investigated as a funct…
This paper presents a comparative study of three modeling methodologies for predicting the breaking elongation of ring spun cotton yarns. Constituent cotton fiber properties and yarn count are used as inputs to these models. The predictive powers of the three different models—mathematical, statistical, and artificial…
A novel method has been developed for the fabrication of silicon nitride reticulated porous ceramics (RPCs) with regulated structure, using polyurethane sponge as the template. This technique includes two centrifuging steps. In the first stage, the polyurethane sponges are coated with thin slurry through high‐speed ce…