Materials Literature
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A novel class of mesoporous aluminosilicate molecular sieves has been prepared by replication from carbon mesoporous molecular sieves (CMKs) using zeolite precursors and characterized by a variety of analytical and spectroscopic techniques, such as XRD, N 2 adsorption/desorption, SEM/TEM, IR, hyperpolarized (HP) 129 X…
It was hypothesized that nanoscale adhesion ligand spacing regulates cell adhesion, proliferation, and differentiation, and that this control can be decoupled from the overall ligand density. Alginate was chemically modified with a peptide containing the cell adhesion sequence arginine−glycine−aspartic acid (RGD), and…
We apply standard, first-principles calculations to a complete treatment of lattice dynamics in the harmonic approximation. The algorithm makes use of the straightforward ``frozen-phonon'' approach to the calculation of vibrational spectra and addresses some limitations of the method. Our prescription's validity is in…
We study the role of strong electron confinement in surface-enhanced Raman scattering from molecules adsorbed on small noble-metal particles. We describe a new source of Raman signal enhancement which originates from different behavior of sp-band and d-band electron densities near the particle boundary. In small parti…
We report the results of an x-ray scattering study that reveals oxidation kinetics and formation of a previously unreported crystalline phase of SnO at the liquid-vapour interface of Sn. Our experiments reveal that the pure liquid Sn surface does not react with molecular oxygen below an activation pressure of \~5.0*10…
We study inverted core/shell nanocrystals (NCs) in which a core of a wide gap semiconductor (ZnSe) is overcoated with a shell of a semiconductor of a narrower gap (CdSe). By monitoring radiative recombination lifetimes for a series of these NCs with a fixed core radius and progressively increasing shell thickness, we…
The structure and dynamics of poly(amido amide) (PAMAM) dendrimers have been of great interest both scientifically and industrially, but such important features as the distributions of atoms, channels, and strain inside these molecules remain unresolved. This paper reports results from systematic investigations of the…
Die komplexe Molekülstruktur des ionischen Clusters [Ag26In18S36Cl6(dppm)10(thf)4]2+[InCl4(thf)−]2 (siehe Bild) wurde sowohl mithilfe theoretischer Methoden (Dichtefunktionaltheorie) als auch experimentell (Einkristallröntgenbeugung, FT-Massenspektrometrie) bestimmt. Der Cluster entstand bei der Umsetzung von AgOOCPh…
Abstract We have prepared four new octaaminoamide resorcin[4]arenes having hydrocarbon chains of different lengths ( 1 , 2 : R = CH 3 ; 3 , 4 : R = C 11 H 23 ) and different terminal groups ( 1 , 3 : NH 2 ; 2 , 4 : NMe 2 ). The surface tension and self‐assembly of aqueous solutions of 2 − 4 were studied and their crit…
Abstract Summary: In a series of papers the crystallization of a commercial polyethylene (PE) material has been studied by in situ ultra small‐angle X‐ray scattering (USAXS) and it has been found that the placement of crystallites is predominantly a random car parking process, dealt with in the field of random sequent…
Abstract Dispersed calcium carbonate particles are encapsulated with poly(methyl methacrylate). The optimum condition for the polymerization is investigated; and the encapsulated particles are characterized by spectrophotometric analysis, acid decomposition, thermal analysis, and microscopic observation. From the conv…
Abstract Methyl anacardate and secondary butyl anacardate were prepared from anacardic acid and corresponding alcohols and were used, in addition to cardanol, as blocking agents for 2,4‐toluene diisocyanate (TDI). Blocked diisocyanate adducts were characterized via nitrogen estimation, Fourier transform infrared spect…
Using a density functional approach, we study the structural and magnetic properties of the pyrox\penalty1000\-\allowhyphens{}ene compound ${\mathrm{N}\mathrm{a}\mathrm{T}\mathrm{i}\mathrm{S}\mathrm{i}}_{2}{\mathrm{O}}_{6}$. While all previous workers are taking that ${\mathrm{N}\mathrm{a}\mathrm{T}\mathrm{i}\mathrm{S…
Electron-deficient silicon atoms, which are generated on a silica surface by evacuation above 900 K, are attacked by Grignard reagents (see picture). This reactivity provides a novel route for the surface modification of mesoporous silicas as the organic groups are strongly bound to the surface through the formation o…
We study the effects of oversized solute atoms on the diffusion of clusters of self–interstitial atoms produced in metals by high–energy irradiation. We use kinetic Monte Carlo (KMC) simulations in model body–centred cubic iron, and include elastic interactions between the defects. We show that elastic repulsion betwe…
We report the results of the first-principles calculation on the atomic displacement parameters, the crystal structure factors, and the charge density distributions of $\mathrm{Mg}{\mathrm{H}}_{2}$ at finite temperature. Our calculations have been performed with the ultrasoft pseudopotential method and the linear resp…
Abstract Chitosan was produced by Rhizopus oryzae 00.4367 in shake flask culture and a stirred tank fermenter. Synthetic medium, treated and untreated beet molasses were used as cultivation media in shake flask cultures. In the stirred tank fermenter, the cultivation media were synthetic medium and untreated beet mola…
Difficult to determine, the molecular structure of the ionic cluster [Ag26In18S36Cl6(dppm)10(thf)4]2+[InCl4(thf)−]2 (see picture, dppm=bis(diphenylphosphanyl)methane) was independently resolved by theoretical (density functional theory) and experimental (single-crystal XRD, FTMS) methods. The cluster was synthesized b…
Abstract A new ether‐bridged aromatic dicarboxylic acid, 2′,5′‐bis(4‐carboxyphenoxy)‐ p ‐terphenyl ( 3 ), was synthesized by the aromatic fluoro‐displacement reaction of p ‐fluorobenzonitrile with 2′,5′‐dihydroxy‐ p ‐terphenyl in the presence of potassium carbonate, followed by alkaline hydrolysis. A set of new aromat…
Abstract Dithienylperfluorocyclopentene derivatives that bear alkyl substituents connected onto the two carbon atoms of the thiophene heterocycles where, in their ring-closed form, the new C–C single bond is formed (the 2-positions of the thiophene), can exhibit photochromic ring-closing, and both photochromic and ele…