Materials Literature
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A 15N-labeled nitroxide was incarcerated into an octa acid nanocapsule, which was confirmed by 1H NMR and EPR spectroscopy. Electron paramagnetic interaction between the 15N-labeled incarcerated nitroxide and a 14N-labeled free nitroxide in the external aqueous solution was observed by EPR spectroscopy. The observatio…
A new type of thermotropic liquid-crystalline photosensitive supramolecule was fabricated by ionic self-assembly of polyelectrolyte and functional unit azobenzene ionic liquid crystal (azo-ILC). It was found that the thermal and phase behaviors can be modulated by changing of the spacer length (4, 6, or 12 methylene u…
Dimers are the smallest chemical objects that show magnetic anisotropy. We focus on 3d and 4d transition metal dimers that have magnetic ground states in most cases. Some of these magnetic dimers have a considerable barrier against re-orientation of their magnetization, the so-called magnetic anisotropy energy, MAE. T…
We show by resolving single-particle dynamics as a function of contact number that dynamical heterogeneity in depletion colloidal gels must have more than one structural origin. Although the magnitude of dynamical heterogeneity of weak gels with cluster structure and strong gels with string structure is similar, the d…
Ab initio calculations are performed to study the CO oxidation on six endohedral gold-cage clusters (W@Au 12, Nb@Au 13, Zr@Au 14, Sc@Au 15, Ca@Au 16, and Na@Au 17 ). The calculations suggest that three clusters (Nb@Au 13, Zr@Au 14, and Sc@Au 15 ) can be very effective nanocatalysts. The reaction energy barriers are lo…
A new anisotropic size-broadening model based on a spherical-harmonics representation allowing determination of both volume- and area-averaged apparent crystallites and convenient for implementation into Rietveld programs is described. The model effectiveness is demonstrated on a ZnO powder pattern exhibiting strongly…
Electrospinning is a valuable technique to fabricate fibrous scaffolds for tissue engineering. The typical nonwoven architecture allows cell adhesion and proliferation, and supports diffusion of nutrients and waste products. Poly(epsilon-caprolactone) (PCL) electrospun membranes were produced starting from 14% w/v sol…
An efficient microwave-assisted reflux route has been used to synthesize layered nanostructures of cobalt hydrotalcite like compound spheres. Scanning electron microscopy images showed that these structures are self-assemblies of the nanosheets with uniform 5-nm thickness. The layered cobalt hydrotalcite like compound…
Layered HNbMoO6 was found to function as a strong solid acid catalyst, exceeding the activity of zeolites and ion-exchange resins for Friedel-Crafts alkylation. HNbMoO6 also exhibited high catalytic activity for esterification of hydrocarboxylic acid and hydration. The catalytic performance of layered HNbMoO6 is attri…
We present a theoretical study of a new hybrid material, nanostructured polymeric nitrogen, where a polymeric nitrogen chain is encapsulated in a carbon nanotube. The electronic and structural properties of the new system are studied by means of ab initio electronic structure and molecular dynamics calculations. Finit…
We report that static quenching of a mannosylated conjugated polymer (sugar-PPE) by Concanavalin A is positively dependent upon sugar-PPE concentration, that is, the recorded Stern-Volmer constants increase with increasing sugar-PPE concentration. Comparison with data obtained from isothermal titration calorimetry (IT…
Currently, raw material suppliers are the sole providers of polyurethane processing information. In most cases, they give instruction only on how to mix products and do not always include an explanation of the accompanying logic as to why these recommendations are being made. Castable Polyurethane Elastomers explains…
Electrospun scaffolds have been increasingly used in tissue engineering applications due to their size-scale similarities with native extracellular matrices. Their inherent fibrous features may be important in promoting cell attachment and proliferation on the scaffolds. In this study, we explore the technique of fabr…
We present joint theoretical-experimental study of correlation effects in the electronic structure of ${(\mathrm{py}\mathrm{H})}_{3}[{\mathrm{Mn}}_{4}{\mathrm{O}}_{3}{\mathrm{Cl}}_{7}{(\mathrm{O}\mathrm{Ac})}_{3}]\ensuremath{\cdot}2\mathrm{Me}\mathrm{C}\mathrm{N}$ molecular magnet $({\mathrm{Mn}}_{4})$. Describing the…
It is shown on the basis of scaling arguments that a disordered interface between two elastic solids will quite generally exhibit static and "dry friction" (i.e., kinetic friction which does not vanish as the sliding velocity approaches zero), because of Tomlinson model instabilities that occur for small length scale…
We present a quantum Monte Carlo study of the hydrogen-benzene system where binding is very weak. We demonstrate that the binding is well described at both variational Monte Carlo (VMC) and diffusion Monte Carlo (DMC) levels by a Jastrow correlated single determinant geminal wave function with an optimized compact bas…
The short and medium range structure of a NaFeSi2O6 (NFS) glass has been investigated by high-resolution neutron diffraction with Fe isotopic substitution, combined with Empirical Potential Structure Refinement (EPSR) simulations. The majority (~60%) of Fe is 4-coordinated ([4]Fe) and corresponds only to ferric iron,…
We have analyzed various characteristic temperatures and energies of hole-doped high-Tc cuprates as a function of a dimensionless hole-doping concentration (pu). Entirely based on the experimental grounds we construct a unified electronic phase diagram (UEPD), where three characteristic temperatures (T*'s) and their c…
Ab initio calculations on Pt clusters having diameters of up to about 3 nm show planar, layered, pyramidal, cage, simple cubic, and octahedral growth. Planar structures are preferred up to ${\text{Pt}}_{9}$, while layered and pyramidal structures are favored in the range of ${\text{Pt}}_{n}$, where $n=10--20$. In some…
The local structural environment and the spatial distribution of iron and aluminum ions in sodosilicate glasses with composition NaFexAl1-xSi2O6 (x = 1, 0.8, 0.5 and 0) is studied by high-resolution neutron diffraction combined with structural modeling using the Empirical Potential Structure Refinement (EPSR) code. Th…