Materials Literature
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Accurate and precise determinations of thermodynamic parameters of binding are important steps toward understanding many biological mechanisms. Here, a multi-method approach to binding analysis is applied and a detailed error analysis is introduced. Using this approach, the binding thermodynamics and kinetics of the r…
First and second generations of 1 → (2 + 1) C-branched metallodendrimers were prepared employing terpyridine−Ru II −terpyridine connectivity. Each surface dendron is comprised of a terpyridinyl (focal group), a diester (capable of easy hydrolysis), and a terminal adamantyl moiety (for encapsulation). Internal incorpor…
Abstract By using in situ neutron reflectivity, we measured the swelling behavior of two types of polymer brushes, deuterated polystyrene with a trichlorosilane end group and deuterated polystyrene‐ block ‐poly(4‐vinylpyridine) block copolymer, in supercritical carbon dioxide (scCO 2 ). The measurements were conducted…
We employ density functional calculations to study properties of $\mathrm{Si}$ nanocrystals after backbond oxidation in comparison to the ones passivated with hydrogen or hydroxyl. Structural parameters, pair excitation energies, quasiparticle gaps, and electrostatic potentials vary significantly in dependence on degr…
Abstract A possible approach to improve the blood compatibility of poly(ether urethane)s (PU) involves the covalent attachment of key molecules on its surface. The purpose of the present study was to design and synthesise a novel non‐thrombogenic biomaterial by modifying the surface of the PU with a zwitterionic monom…
Ny6-Ny6,10 and Ny6-Ny4,6 copolyamides prepared by a facile melt mixing at 290−310 °C of carboxyl terminated Nylon6 (Ny6-COOH) with Ny6,10 or Ny4,6, were characterized by MALDI, 13 C NMR, and DSC analysis. The results, from one side show how facile is the high yield synthesis of random copolyamides via the melt mixing…
Abstract Hybrid density functional theory (HDFT) and post Hartree–Fock CCSD(T) methods are applied to elucidate the binding energies and the optimized MO distances of transition metal oxides: MO (M = Cr, Mn, Fe, Co, Ni, Cu). The HDFT method can reproduce the CCSD(T) results, in agreement with the experimental ones. T…
Abstract Polymer molecules at solid or fluid interfaces have an enormous spectrum of applications in a wide variety of technologies as lubricants, adhesion modifiers, and protective surface coatings. Because polymer brushes have great potential to be used in such applications, there is a need to determine their struct…
Abstract Crosslinked polyethylene (XLPE) is progressively replacing other types of polyethylene in electric cable insulation because of its combination of better mechanical and thermal performance and good dielectric properties. Besides its influence on the mechanical and thermal properties, the morphology plays a ver…
The successful and practical application of shape memory alloy (SMA) torque tube actuators has frequently been hindered by an incomplete understanding of the effects of manufacturing and processing variables, particularly when working with large-scale systems producing high force and large displacements. Recently the…
Ab initio calculations of the magnetic shape-memory alloy ${\mathrm{Ni}}_{50}{\mathrm{Mn}}_{x}{\mathrm{Al}}_{50\ensuremath{-}x}$ with $0\ensuremath{\leqslant}x\ensuremath{\leqslant}50$ were carried out using density functional theory and PAW potentials. The alloy is ferromagnetic in the range from 14 to 31 at.$%$ $\ma…
Sequential surface chemical reactions of poly(acrylic acid- co - N -isopropylacrylamide) [poly(AAc- co -NIPAAm)] with AAc contents of 5, 10, and 15 mol %, of which carboxyl groups were previously activated by 1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide hydrochloride (EDC), plus poly(vinylamine hydrochloride) throu…
Abstract A simple technique employing differential scanning calorimetry (DSC) to investigate the molecular structure of ethylene copolymers is presented in this paper. Three commercial Ziegler–Natta catalysed linear low density polyethylenes (LLDPE) and a commercial single‐site catalysed very low density polyethylene…
Abstract Two series of mixed phthalocyaninato and porphyrinato rare earth( III ) triple‐decker complexes [M 2 (Pc)(TClPP) 2 ] ( 1a − 10a ) and [M 2 (Pc) 2 (TClPP)] ( 1b − 11b ) [M = Y, La−Er except Ce and Pm; Pc = phthalocyaninate; TClPP = tetrakis(4‐chlorophenyl)porphyrinate] have been prepared by treating the half‐s…
Nature's use of proteins to direct and control the synthesis of inorganic solids represents an important paradigm for bioinspired materials synthesis. However, the mechanism by which polypeptides direct inorganic synthesis, particularly with regard to selective formation of crystals polymorphs, remains unknown. An imp…
Abstract Magnetic susceptibility and high‐frequency EPR spectroscopy investigations were carried out on the isostructural family of tricopper( II )‐substituted, sandwich‐type polyoxotungstates [Cu 3 (H 2 O) 3 (α‐AsW 9 O 33 ) 2 ] 12− ( 1 ), [Cu 3 (H 2 O) 3 (α‐SbW 9 O 33 ) 2 ] 12− ( 2 ), [Cu 3 (H 2 O) 3 (α‐SeW 9 O 33 )…
Abstract Adducts of the type Ln(NTA) 3 ·L [Ln = Eu, Gd; NTA = 1‐(2‐naphthoyl)‐3,3,3‐trifluoroacetonate; L = 1,4‐diaza‐1,3‐butadiene RN=CHCH=NR (R = p ‐tolyl, o ‐tolyl)] were prepared by treatment of Ln(NTA) 3 ·2H 2 O with one equivalent of the chelating N−N ligand. The mixed ligand complexes were characterised by elem…
Abstract PVC/Na + –montmorillonite (MMT) nanocomposites were prepared via a simple technique of emulsion polymerization at several different MMT clay concentrations. X‐ray diffraction and transmission electron microscopy studies revealed the formation of a mixture of intercalated and exfoliated nanostructure. Tensile…
Abstract Nanocomposites with unique material properties have been prepared from synthetic plastics and nanosilicates (nanoclay) until now, but not from biopolymers such as starch. The primary challenge in making biopolymeric nanocomposites is to achieve strong adhesion between nanoclay and polymer matrix. For the firs…
Abstract A novel water‐soluble, conducting polypyrrole was synthesized by horseradish peroxidase (HRP), in the presence of sulfonated polystyrene, as a polyanionic template. The HRP is an effective catalyst for the oxidative polymerization of pyrrole in the presence of hydrogen peroxide at room temperature. The reacti…