Materials Literature
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We appreciate access to and use of resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We also appreciate access to and use of the Deepthought High Performance Computing Cluster…
AIE triazoles based on phenothiazine and pyridine- N -oxide units provided micro- and nano-crystals with an emission enhancement of 233-fold higher.
We employed a minimalist approach for design of an allosterically controlled retroaldolase. Introduction of a single lysine residue into the nonenzymatic protein calmodulin led to a 15,000-fold increase in the second order rate constant for retroaldol reaction with methodol as a substrate. The resulting catalyst Alley…
A theoretical model is proposed to study the ME effect in the layered ME composite with nanoscale thickness, which taking into account the surface effect. The layered ME composites nano structure is treated as a bulk core plus two surface layers with zero thickness. The influence on the structure overall properties re…
For single colloidal Ag nanoaggregates, covered with either large or small amounts of citrate anions, blinking surface-enhanced Raman scattering (SERS) of anionic thiacyanine was measured and analyzed by a truncated power law. The power law without and with an exponential function reproduces a probability distribution…
A charged impurity outside the plane of a graphene layer contributes to scattering of electrons (and holes) in the graphene. The interaction occurs through two distinct mechanisms associated with the charge: (1) the (screened) Coulomb potential, and (2) the electric field perpendicular to the graphene plane that cause…
Abstract A series of luminescent ionic liquids based on pentanitratoeuropate(III) anions combined with imidazolium cations, namely, 1,2,3‐trimethylimidazolium {[MC1mim]2[Eu(NO3)5] (1)}, 1,3‐dimethylimidazolium {[C1mim]2[Eu(NO3)5] (2)}, 1‐ethyl‐3‐methylimidazolium {[C2mim]2[Eu(NO3)5] (3)}, 1‐butyl‐3‐methylimdazolium {[…
Using an in situ method of Raman spectroscopy and resistance‐heated diamond anvil cell, the system datolite CaBSiO4(OH) – water has been investigated at simultaneously high pressure and temperature (up to Р ~5 GPa and Т ~250 °С). Two polymorphic transitions have been observed: (1) pressure‐induced phase transition or…
Abstract Eleven wool and silk historic textiles and two modern artist's canvases were examined to determine their water vapour adsorption, moisture dimensional response and tensile behaviour. All the textiles showed a similar general pattern of moisture response. A rise in ambient relative humidity (RH) from dry condi…
Abstract The protamines are a low-molecular-weight, arginine-rich family of nuclear proteins that protect chromosomal DNA in germ cells by packing it densely using electrostatic interactions. Human protamine-1 (hPRM1) has been developed as a magnetic resonance imaging (MRI) chemical exchange saturation transfer (CEST)…
Silica wet gels were prepared from hydrolysis of tetraethoxysilane (TEOS) with additions of sodium dodecyl sulfate (SDS). The surfactant was removed after gelation. Wet gels exhibited mass-fractal structure with mass-fractal dimension D (typically around 2.25) in a length scale extending from a characteristic size ξ (…
Abstract The present work describes the structural and optical characterization of PbSe and PbSe/CdSe colloidal quantum dots (CQDs), the latter being produced by cation exchange of Pb2+ for Cd2+ ions. The cation exchange occurs on preferred crystallographic facets and results in either non-concentric CdSe shells or Pb…
Photochromic materials have been widely used in many fields such as electro-optical functional materials and novel bio-materials.
In the present work, the influence of the photovoltaic effect of the corrosion products of γ-FeOOH and γ-Fe 2 O 3 on the corrosion of Q235 carbon steel (CS) under visible light was qualitatively and quantitatively studied. The photo-voltages and photoinduced current density were simultaneously measured. The photoinduc…
This paper briefly describes the many different sets of ionic and covalent radii available. A simple model of ionic and covalent bonding is proposed and an equation to calculate internuclear distances of covalent, ionic and metallic lattices is described. Derivation of covalent radii and the use of a proposed model of…
ABSTRACT An 2‐ureido‐4[1H]pyrimidinone (UPy) motif with self‐association capability (through quadruple hydrogen bonds) was successfully anchored onto montmorillonite clay layers. Polymer/clay nanocomposites were prepared by specific hydrogen bonding interactions between surface functionalized silica nanoclays and UPy‐…
Enzyme function prediction remains an important open problem. Though structure-based modeling, such as metabolite docking, can identify substrates of some enzymes, it is ill-suited to reactions that progress through a covalent intermediate. Here we investigated the ability of covalent docking to identify substrates th…
The results of a study on the suitability of materials derived from cobalt ferrite for sensor and actuator applications are presented. The mechanism responsible for the superior sensor properties of Ge-substituted cobalt ferrite compared with Ti and other cation substituted cobalt ferrite materials is believed to be d…
The enhanced photoelectrochemical cathodic protection performance of the In 2 O 3 /TiO 2 composite for 304 stainless steel (SS) was investigated in this work. The heterojunction structure of the In 2 O 3 /TiO 2 composite promotes the generation and transfer of the photoinduced electrons, resulting in a larger number o…
5,6-Bis(benzylideneamino)-2-mercaptopyrimidin-4-ol (SCR7) is a new anti cancer molecule having capability to selectively inhibit non-homologous end joining (NHEJ), one of the DNA double strand break (DSB) repair pathways inside the cells. In spite of the promising potential as an anticancer agent, hydrophobicity of SC…