Materials Literature
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The equilibrium geometric structures, relative stabilities, and electronic properties of Au(n)C(-) and Au(n+1)(-) (n = 1-10) clusters are systematically investigated using density functional theory with hyper-generalized gradient approximation. The optimized geometries show that one Au atom capped on Au(n-1)C(-) clust…
Polymeric brushes have emerged as a novel 3D material platform that provides great amounts of binding sites for biomolecules. This paper investigates the covalent immobilization mechanism of protein by spherical poly(acrylic acid) brushes (SPAABs) in the widely adopted N-hydroxysuccinimide/N-(3-dimethyl-aminopropyl)-N…
NrdH redoxins are small protein disulfide oxidoreductases behaving like thioredoxins but sharing a high amino acid sequence similarity to glutaredoxins. Although NrdH redoxins are supposed to be another candidate in the antioxidant system, their physiological roles in oxidative stress remain unclear. In this study, we…
Nanotechnology is a developing field while reducing the matter on atomic and molecular scale sized between 1 to 100 nanometre in one dimension. This technology recently attracted various branches of application due to the dissimilar behaviour of the bulk material when reduced to its nano-size. One such application is…
We have fabricated epitaxial thin films of NdNiO3 (NNO) on various single crystal substrates. The transport properties of NNO films are very sensitive to substrate-controlled epitaxial strain. As the strain varies from tensile to compressive, the Mott metal-insulator transition of NNO films shifts to low temperatures.…
We developed a phenomenological theory to describe the aligning field of polymer networks in polymer stabilized liquid crystals where sub-micron size polymer networks are phase separated from the liquid crystal in dispersion. The polymer networks are anisotropic and anchor the liquid crystals in their longitudinal dir…
Polymer field theory has emerged as a powerful tool for describing the equilibrium phase behavior of complex polymer formulations, particularly when one is interested in the thermodynamics of dense polymer melts and solutions where the polymer chains can be accurately described using Gaussian models. However, there ar…
Synthesis of new classes of nanomaterials for special applications is challenging the researchers worldwide. Biological methods of synthesis nanomaterials are often preferred because they are clean, non-toxic, safe, biocompatible and environmentally acceptable. Zinc oxide nanoparticles are used as antimicrobial agent…
INTRODUCTION: X-ray crystallography plays an important role in structure-based drug design (SBDD), and accurate analysis of crystal structures of target macromolecules and macromolecule-ligand complexes is critical at all stages. However, whereas there has been significant progress in improving methods of structural b…
The mechanism of corrosion inhibition of AA2024-T3 by sodium molybdate was investigated using various electrochemical, microscopic and spectroscopic techniques.Polarization curves in naturally-aerated solution showed that molybdate provided mixed inhibition in near-neutral pH solution and at a threshold concentration…
Water-in-oil emulsions stabilized solely by bacterial cellulose nanofibers (BCNs), which were hydrophobized by esterification with organic acids of various chain lengths (acetic acid, C2-; hexanoic acid, C6-; dodecanoic acid, C12-), were produced and characterized. When using freeze-dried C6-BCN and C12-BCN, only a ma…
Molecular dynamics simulations have been used to systematically study the pressure evolution and bursting behavior of sub-surface helium bubbles and the resulting tungsten surface morphology. This study specifically investigates how bubble shape and size, temperature, tungsten surface orientation, and ligament thickne…
Molecular static simulations of 190 symmetric tilt grain boundaries in hexagonal closed pack metals were used to understand the energetics of vacancy segregation, which is important for designing stable interfaces in harsh environments. Simulation results show that the local arrangements of grain boundaries and the re…
Surface photovoltage (SPV) spectroscopy, which is a versatile method to analyze the energetic distribution of electronic defect states at surfaces and interfaces of wide-bandgap semiconductor (hetero-)structures, is applied to comparatively investigate heterostructures made of 5-unit-cell-thick LaAlO3 films grown eith…
Co-Ti and Ru-Ti substituted barium ferrite nanocrystalline particles BaFe12−2xCoxTixO19 with (0≤x≤1) and BaFe12−2xRuxTixO19 with (0≤x≤0.6) were prepared by ball milling method, and their magnetic properties and their temperature dependencies were studied. The zero-field-cooled (ZFC) and field-cooled (FC) processes wer…
In 2013, Macromolecular Reaction Engineering (MRE) received a new record number of submissions with a more than 20% increase compared with the previous year, and also achieved an ISI Impact Factor of 1.638. These facts, together with numerous positive and encouraging comments from leading experts in the field, confirm…
La laguna Mulitas es una laguna permanente situada en el partido de 25 de Mayo, Pcia.de Buenos Aires. La misma presenta un estado natural eutrófico[1] , pero debido a la intensidad de uso de suelo en la cuenca su estado actual es hipereutrófica[2].En su estado natural, funciona como un sistema arreico cuyo último punt…
A new blue‐emitting phosphor of Eu2+‐activated hexa‐aluminate CaZrBAl9O18 was synthesized by a conventional solid‐state reaction method. The crystalline phase formation was confirmed by X‐ray powder diffraction (XRD) measurements. The photoluminescence excitation and emission spectra, the luminescence decay curves and…
In this study, we synthesized a new fluorescent polypyridyl dye 2 containing a 2,2'-bipyridine in the center and two 2,2':6',2"-terpyridines at both ends. When exposed to various metal ions, the dye 2 showed selective fluorescence responses. In the presence of $Cu^{2+}$ and $Ni^{2+}$ , it exhibited a highly effective…
AlN epilayers were grown on a c-plane sapphire substrate using hydride vapor phase epitaxy (HVPE). A series of AlN epilayers were grown at $1120^{\circ}C$ with V/III ratios 1.5, 2.5 and 3.5, and the influence of V/III ratio on their properties was investigated. As the V/III ratio was increased, the surface roughness (…