Materials Literature
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In this work, we present results on the formation of vertical molecule structures formed by two vertically aligned InAs quantum dots (QD) in which a deliberate control of energy emission is achieved. The emission energy of the first layer of QD forming the molecule can be tuned by the deposition of controlled amounts…
Abstract Photocatalytic activity of anatase-type TiO2 nanoparticles with different shape, prepared by gel–sol method, was evaluated. Particle morphology, that is, the main surface crystal plane was found critically decisive for the photocatalytic activity for H2 evolution from aqueous ethanol. Namely, the activity of…
Aluminum and zinc based sacrificial anodes are routinely used to provide corrosion protection to metals (typically steel) exposed to seawater, for example in steel pipelines and storage tanks. However, the high fouling rates experienced in South East Asia means that both the anodes and the metals to be protected rapid…
Listeria monocytogenes is a Gram-positive, psychrotrophic, facultative intracellular food-borne pathogen responsible for severe illness (listeriosis). The bacteria can grow in a wide range of temperatures (1 to 45°C), and low-temperature growth contributes to the food safety hazards associated with contamination of re…
Abstract Sputter deposition of transition metals W, Mo, Nb, and Ti into ionic liquids (ILs) produced corresponding metal oxide nanoparticles (NPs) smaller than 6 nm. The NPs were obtained in a highly dispersed manner without any additional stabilizing agent in ILs.
The interactions of yttrium chloride, zirconium chloride, and uranium nitrate with sparfloxacin (SPAR) in ethanol, methanol, and acetone were studied. The isolated solid complexes were characterized by elemental analysis, infrared, 1H-NMR and electronic spectra, and thermogravimetric analysis. The results support the…
MOTIVATION: Earlier studies of protein structure revealed closed loops with a characteristic size 25-30 residues and ring-like shape as a basic universal structural element of globular proteins. Elementary functional loops (EFLs) have specific signatures and provide functional residues important for binding/activation…
Several experiments were conducted at different storage temperatures for generating respiration data using close system method for respiration. A respiration rate model, based on enzyme kinetics and the Arrhenius equation was proposed for predicting the respiration rates of Guava as a function of O2 and CO2 concentrat…
An evidence-based scientific scrutiny of Irish traditional medicines for their antimicrobial potency is urgently required for combating antibiotic resistant common nosocomial pathogens. We now report our seminal findings on the major constituents including terpenes identified in native, historically significant herbal…
Abstract Motivation: Intrinsically disordered proteins play a crucial role in numerous regulatory processes. Their abundance and ubiquity combined with a relatively low quantity of their annotations motivate research toward the development of computational models that predict disordered regions from protein sequences.…
Abstract The nanocatalyst-assisted sonodegradation of Basic Blue 41 (BB41) dye in aqueous medium was modeled and optimized using response surface method (RSM) based on Box-Behnken design. The studied variables included pH, initial dye concentration, H2O2 concentration and sonolysis time while each factor varied at thr…
Molecular dynamic simulation method has been employed to consider the critical buckling force, pressure, and strain of pristine and defected single-walled carbon nanotube (SWCNT) under axial compression. Effects of length, radius, chirality, Stone-Wales (SW) defect, and single vacancy (SV) defect on buckling behavior…
Influence of surface roughness on the friction of TiC/a-C nanocomposite coatings while sliding against bearing steel balls in humid air was examined by detailed analyses of the wear surfaces and the wear scar on the ball counterparts by atomic force microscopy, optical, and confocal microscopy. It was observed that th…
La0.67Sr0.33MnO3 (LSMO) thin films under compressive strain have an orthorhombic symmetry with (1-10)o and (001)o in-plane orientations. (The subscript o denotes the orthorhombic symmetry.) Here, we grew LSMO on cubic (LaAlO3)0.3-(Sr2AlTaO6)0.7 (LSAT) substrates and observed a uniaxial contribution to the magnetic ani…
We have developed an efficient computational scheme utilizing the real-space finite-difference formalism and the projector augmented-wave (PAW) method to perform precise first-principles electronic-structure simulations based on the density functional theory for systems containing transition metals with a modest compu…
The spin Seebeck effect is a spin-motive force generated by a temperature gradient in a ferromagnet that can be detected via normal metal contacts through the inverse spin Hall effect [K. Uchida {\it et al.}, Nature {\bf 455}, 778-781 (2008)]. We explain this effect by spin pumping at the contact that is proportional…
Evidence of the absence of the clear electron spin-resonance signal from Ge dangling bonds (DBs) at Ge/GeO$_2$ interfaces is explored by means of first-principles electronic-structure calculations. Comparing the electronic structures of the DBs at Si/SiO$_2$ and Ge/GeO$_2$ interfaces, we found that the electronic stru…
In this work the preparation mechanism, properties and temperature-triggered aggregation of poly(D,L-lactideco-glycolide) (PLGA) dispersions are investigated.The dispersions were prepared by interfacial deposition in aqueous solution containing Pluronic L62 (EO 6 PO 30 EO 6 ) or F127NF (EO 101 PO 56 EO 101 ), where EO…
运用量子力学从头计算方法,计算了氢化锂（氘化锂、氚化锂）分子的部分热力学函数和力学、光谱学性质。基于准简谐Debye模型,计算了固体Li的振动内能、振动和电子熵,探讨了Li吸收氢同位素气体生成一氢化物的反应熵变、生成焓变和生成Gibbs自由能及氢同位素的平衡离解压。结果显示：在Li吸收同位素气体生成一氢化物的反应中,生成焓变和反应熵变均为负值,且随温度升高,绝对值越大,Gibbs自由能则向正的方向增加。热力学上,在相同温度和压力下,氢置换一氢化物中的氘和氚、及氘置换氚的反应更易发生。
Multivalency is an important phenomenon in protein-carbohydrate interactions. In order to evaluate glycodendrimers as multivalent inhibitors of carbohydrate binding proteins, we displayed them on a microarray surface. Valencies were varied from 1 to 8, and corrections were made for the valencies so that all surfaces c…