Materials Literature
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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…
In der vorliegenden Diplomarbeit wurden grundlegende Aspekte zur dreidimensionalen Fixierung von porösen Partikeln an klebstoffimprägnierten Vliesstoffen untersucht. Als Partikel dienten Kugelaktivkohlen sowie Kupfer-Benzoltricarboxylat-Trihydrat (Cu3(BTC)2
As doenças tropicais têm um grande impacto sobre a saúde em países de baixa renda, estando relacionadas com condições de pobreza e desigualdade. A tripanossomíase africana é uma infecção parasitaria negligenciada incluída na agenda da Organização Mundial de Saúde. Esta enfermidade é causada pelo Trypanosoma brucei gam…
The aggregate effect in rhodamine dyes is a subject widely exploited in previous literatures. The majority of the references investigated this effect through the heat generation or simply analyzing the absorption spectra. A few works used the dependence of the fluorescence quantum efficiency (n) with the dye concentra…
A Bahia tem sido, juntamente com Minas Gerais, Goiás e Rio Grande do Sul, destaque na produção de gemas naturais do Brasil, pais que detém grande parte das reservas mundiais desses bens minerais, com produção de gemas de qualidade reconhecidas internacionalmente. Os controles estatísticos registram a presença de mais…
This specially curated group of 178 titles covers subjects ranging from biodiversity conservation to agriculture and ecology to zoology. Books explore urban ecology, climate change, fire mitigation, and more. These titles are included in the CSIRO Publishing BioSelect Collection.
This specially curated group of 178 titles covers subjects ranging from biodiversity conservation to agriculture and ecology to zoology. Books explore urban ecology, climate change, fire mitigation, and more. These titles are included in the CSIRO Publishing BioSelect Collection.
We give a heuristic argument predicting that the number N * (T) of ra-tionals p/q on Cantor's middle thirds set C such that gcd(p, q) = 1 and q ≤ T , has asymptotic growth O(T d+ε), for d = dim C. We also describe extensive numerical computations supporting this heuristic. Our heuristic predicts a similar asymptotic i…
The magnetostatic field (Chapter 26) like the electrostatic field (Chapter 24) is specified by three related vectors, viz. the magnetic field, induction, and polarization (Section 26.1); there are differences in the constitutive properties relating them that are specified by the magnetic permeability and susceptibility (Sec…
Example 10.1. Regions of the Complex Plane. Determine the region of the complex z-plane specified: (I) by |z−a| > |z− b| for real b > a; (II) by |z| ≥ a≥ |z+a| for real a, and find its angular points. Concerning (I) the meaning of |z−a|> |z− b| is that z is farther from a than from b, so it must lie (Figure 10.1a) to th…