Materials Literature
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Hot spots constitute a small fraction of protein-protein interface residues, yet they account for a large fraction of the binding affinity. Based on our previous method (KFC), we present two new methods (KFC2a and KFC2b) that outperform other methods at hot spot prediction. A number of improvements were made in develo…
Polyurethanes are among the most versatile polymers because of the wide range of monomers, particularly diols or polyols, that can be utilized in their synthesis. This Review focuses on the most recent advances made in the production of polyurethane materials from vegetable oils. Over the past several years, increasin…
The competition between collective quantum phases in materials with strongly correlated electrons depends sensitively on the dimensionality of the electron system, which is difficult to control by standard solid-state chemistry. We have fabricated superlattices of the paramagnetic metal lanthanum nickelate (LaNiO(3))…
Despite the increasing use of silver nanoparticles (Ag-NPs) in nanotechnology and their toxicity to invertebrates, the transformations and fate of Ag-NPs in the environment are poorly understood. This work focuses on the sulfidation processes of PVP-coated Ag-NPs, one of the most likely corrosion phenomena that may ha…
Nanostructured composites containing aligned carbon nanotubes (CNTs) are very promising as interface materials for electronic systems and thermoelectric power generators. We report the first data for the thermal conductivity of densified, aligned multiwall CNT nanocomposite films for a range of CNT volume fractions. A…
Cellulose fibrils with widths in the nanometer range are nature-based materials with unique and potentially useful features. Most importantly, these novel nanocelluloses open up the strongly expanding fields of sustainable materials and nanocomposites, as well as medical and life-science devices, to the natural polyme…
In the title organic-inorganic hybrid compound, (C(4)H(10)NO)(3)[H(6)CrMo(6)O(24)]·4H(2)O, the Anderson-type [H(6)CrMo(6)O(24)](3-) polyoxoanion is centrosymmetric, with the Cr(III) ion lying on an inversion center. One of the two crystallographiclly independent morpholinium cations is half-occupied. Inter-molecular N…
The different transitions involved in the thermal processing and decomposition of cross-linked ethylene vinyl acetate–polyethylene (EVA–PE) mixtures, with different concentrations of PE and peroximon (cross-linking agent), have been analyzed and simultaneously modeled by the application of a mechanistic pseudokinetic…
During the past decades several synthetic routes toward the low band gap polymer poly(2,5-thienylene vinylene) (PTV) and derivatives have been studied. This study describes an extensive NMR characterization of 13 C-labeled 3-octyl-PTV and its precursor polymer prepared via the dithiocarbamate route which is, since sta…
We investigated the oxidation of methanol on a PdO(101) thin film using temperature-programmed reaction spectroscopy (TPRS) and X-ray photoelectron spectroscopy (XPS). We find that the complete oxidation of methanol occurs almost exclusively on PdO(101) during TPRS experiments conducted at low initial methanol coverag…
In this study, ordered mesoporous copper oxide–silica (CuO–SiO2) composite films with CuO/SiO2 molar ratio ≤6% have been prepared. Small-angle X-ray diffraction and transmission electron microscopy investigations show that the mesoporous CuO–SiO2 composite films have a hexagonally ordered pore array nanostructure. Wid…
The characteristics of cation diffusion with many-body effects are discussed using Ag β-alumina as an example of a superionic conductor. Polarized Raman spectra of Ag β-alumina have been measured at room temperature. The interatomic potentials were determined by a non-linear least square fitting between the phonon eig…
The light modulating ability of gradient polymer-disposed liquid crystal (PDLC) single layer of large droplets formed by nematic E7 in UV-cured polymer NOA65 is studied. Operating at relatively low voltages, such PDLC film with a of thickness 10-25 μm and droplet size up to 50 μm exhibits a good contrast ratio and is…
Abstract Three new complex molybdenum oxides – Cs 2 Fe 2 (MoO 4 ) 3 , Cs 4 Fe(MoO 4 ) 3 and CsFe 5 (MoO 4 ) 7 – with average oxidation states of Fe +2 and +2.6 were obtained during a study of phase formation in the system Cs–Fe II,III –Mo–O and investigated by X‐ray single‐crystal analysis at room temperature and 100…
The polysaccharide chitin is widely distributed in the biosphere and, like cellulose, it is a highly abundant biopolymer available from renewable resources.1 The annual regeneration of chitin by biosynthesis is even higher than that of cellulose.2-4 The principal source for production of chitin is waste from processin…
Abstract A new method of preparation of poly(alkylene H‐phosphonate)s by ring‐opening bulk polymerization of the five‐ and six‐membered cyclic phosphonates monomers using the nontoxic Maghnite‐H + as the initiator is described. Cyclic phosphonate monomers have been first synthesized. In particular, a new one‐step synt…
The decompositions of lithium amide (LiNH 2 ) and lithium imide (Li 2 NH) are important steps for hydrogen storage in Li 3 N. Herein, the decompositions of LiNH 2 and Li 2 NH with and without anion promoter were investigated by using temperature-programmed decomposition (TPD) and X-ray diffraction (XRD) techniques. It…
Abstract The effects of three preparation variables, i.e. reaction temperature, reaction time and reaction gas (methane/nitrogen) flow rate, on the ratio of the intensity of the Raman D band to the intensity of the G band ( I D / I G ), carbon mass and the presence of radial breathing mode (RBM) peaks were investigate…
Abstract The syntheses and characterisation of a new family of isostructural mixed‐metal selenites based on the zemannite‐type framework are described. These Ba M 2 (SeO 3 ) 3 · 3H 2 O phases are built up from three‐dimensional networks of M O 6 ( M = Co, Ni, Mn, Mg) octahedra and SeO 3 pyramids. The octahedral groups…
It is known that the parity of a reflection amplitude can either be even or odd under a mirror operation. Up to now to our knowledge, all the parities of a reflection amplitude in the one-mode energy region have been even under a mirror operation. In this paper, we give an example of odd parity for Andreev reflection…