Materials Literature
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This paper revisits a three-dimensional analytical approach to study internal instability in layered composites, when the behaviour of each component of the material is described by the three-dimensional equations of solid mechanics. It shows the development of a unified computational procedure for numerical realizati…
Proton nuclear magnetic resonance (NMR) shifts of the free diol and of its 1 : 1 and 1 : 2 hydrogen-bonded complexes with pyridine have been computed for five symmetrical alkane diols on the basis of density functional theory, by applying the gauge-including atomic orbital method to geometry-optimized conformers. For…
Mesoporous TiO2 samples, with large specific surface area and high crystallinity, were prepared by a sol–gel method using polyethylene glycol and polyacrylamide (PAM) as composite templates and by two-step calcining process (at 500—700 °C in nitrogen and 500 °C in air). As a comparison, the sample was prepared using s…
A new stochastic model for the point kinetics equations with I-delayed neutron precursor groups is presented. In this stochastic model, the point kinetics equations are separated into three terms: prompt neutrons, delayed neutrons and external neutrons source. The matrix form of the efficient stochastic model is solve…
Continued miniaturization and increasingly exact requirements for thin film deposition in the semiconductor industry is driving the search for new effective, efficient, selective precursors and processes. The requirements of defect-free, conformal films, and precise thickness control have focused attention on atomic l…
Facioscapulohumeral muscular dystrophy is a genetically dominant, currently untreatable muscular dystrophy. It is caused by mutations that enable expression of the normally silent DUX4 gene, which encodes a pathogenic transcription factor. A screen based on Tet-on DUX4-induced mouse myoblast death previously uncovered…
This review discusses the use of molecular modeling tools, together with existing experimental findings, to provide a complete atomic-level description of enzyme dynamics and function. We focus on functionally relevant conformational dynamics of enzymes and the protonation states of substrates. The conformational fluc…
We report time-dependent calculations of attosecond and femtosecond forces imposed by a kilovolt swift electron during passage near a nanometer-sized metal particle. Contrary to expectations based on dielectric theory, which suggest that the forces should always be attractive, we find that for very close approaches, a…
Abstract A non-negliglible percentage of crystal structures in chemical crystallography are derived from twinned crystals. The treatment of these data is dependent on the type of twinning. Twins by strict, pseudo or reticular merohedry may hamper space group determination and structure solution, while non-merohedral t…
Results of this study demonstrated that electroless nickel-phosphorus (NiP) plated metal substrate is an excellent material for producing large aspherical neutron-focusing supermirrors. A large plano-elliptical neutron-focusing supermirror comprising two metallic segments was fabricated using single-point diamond cutt…
A localized high temperature area occurring at the tip of the tool during a cutting process can be detrimental and lead to a rapid wear mechanism. This paper presents the effect of a cryogenic application during the machining process on the temperature generated at the tool-chip interface, compared to a dry environmen…
Golden fullerenes have recently been identified by photoelectron spectra by Bulusu et al. [S. Bulusu, X. Li, L.-S. Wang, X. C. Zeng, PNAS 2006, 103, 8326-8330]. These unique triangulations of a sphere are related to fullerene duals having exactly 12 vertices of degree five, and the icosahedral hollow gold cages previo…
In this study, the effects of temperature variation on the mechanical behaviors of the polyetheretherketone‐based fiber metal laminates (PFMLs) were investigated to explore their temperature resistance capability. Tensile strength and interlaminar shear strength (ILSS) of PFMLs were assessed at various temperatures in…
The goal of any drug delivery system is to provide a therapeutic amount of drug to the proper site in the body to achieve promptly & then maintain the desired drug concentration. That is why the drug delivery system should deliver drug at a state dictated by the needs of the body over a specified period of treatment.…
A simple, nonfluid, and direct adhesion method was developed to adhere cured rubber/rubber via grafting of a molecular layer of a triazine-based silane coupling agent without any pretreatment. During peroxide curing, oxide functional groups that can react with silanol groups were automatically fabricated on the surfac…
Ferroelectric tunnel junctions (FTJs) are quantum nanostructures that have great potential in the hardware basis for future neuromorphic applications. Among recently proposed possibilities, the artificial cognition has high hopes, where encoding, training, memory solidification and retrieval constitute a whole chain t…
Abstract A universal methodology to efficiently improve the photocatalyst performance of semiconductors was developed by employing exfoliated RuO2 two‐dimensional nanosheets as a conducting hybridization matrix. The hybridization with a RuO2 nanosheet is easily achieved by crystal growth or electrostatically derived a…
There is a strong need for simple and fast diagnostic tools for the detection of wound infection. Immune system-derived enzymes like myeloperoxidase are efficient biomarkers for wound infection that emerge in the early stage infection process. In this study, 5-amino-2-methoxyphenol was functionalized with alkoxysilane…
Hydrophobic cavities produced by cetyltrimethylammonium cation (CTA(+)) exchanged and trapped in the interlayer space of montmorillonite were used to remove the harmful hormone contaminant ethinyl estradiol (EE2) from water. X-ray diffraction, thermogravimetry/derivative thermogravimetry, elemental analysis (carbon, h…
The present study covers the development and testing of polyurethane (PU) foams modified with phase change materials (PCMs) supported in inorganic silica containers. Two kind of inorganic supports (mesoporous silica and tight silica microcapsules) were selected as representative cases of two alternatives for the prepa…