Materials Literature
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Kleiner geht's nicht! Nanometergroße Kristallite lösen sich nicht unbedingt weiter auf. Sind sie ähnlich groß wie die beim Auflösen entstehenden Vertiefungen (siehe Bild), können sie kinetisch stabilisiert sein, auch wenn die umgebende Lösung nicht gesättigt ist. In Biosystemen sorgt dieses Verhalten für die bemerkens…
A new method for constructing nonorthogonal localized molecular orbitals (NOLMOs) is presented. The set of highly localized NOLMOs is obtained by minimization of the spread functional starting from an initial set of canonical orthogonal molecular orbitals. To enhance the stability and efficiency, the centroids of the…
Amphiphile Porenwände erleichtern die reversible Sorption von kurzkettigen Alkoholen durch das mikroporöse organisch-anorganische 1D-Hybrid [1-Na]3[PW12O40], das aus dem Calix[4]aren-Na+-Komplex 1-Na+ (R1=R2=H) und dem Polyoxowolframat-Ion [PW12O40]3− aufgebaut ist. Das analoge, mit 2-Na+ (R1=tBu, R2=CH2CO2Et) erhalte…
Heterotrimeric G protein alpha (G alpha) subunits possess intrinsic GTPase activity that leads to functional deactivation with a rate constant of approximately 2 min(-1) at 30 degrees C. GTP hydrolysis causes conformational changes in three regions of G alpha, including Switch I and Switch II. Mutation of G202-->A in…
Due to the interplay of Coulombic repulsion and attractive dipolar and van der Waals interactions, solutions of globular proteins display a rich variety of phase behavior featuring fluid-fluid and fluid-solid transitions that strongly depend on solution pH and salt concentration. Using a simple model for charge, dispe…
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTCrystal Structure of the Complex of β-Cyclodextrin with Bithiophene and Their Oxidative Polymerization in WaterYoshinori Takashima, Yoshihumi Oizumi, Kazuya Sakamoto, Masahiko Miyauchi, Shigehiro Kamitori, and Akira HaradaView Autho…
A steadily growing number of active pharmaceutical ingredients (API) exhibits low bioavailability and requires protection from enzymatic and acid-catalyzed degradation in the body. Therefore, the development of efficient carrier-based delivery systems is of increasing importance. Carrier systems based on liposomes, po…
This paper presents the results obtained using a genetic algorithm (GA) to search for stable structures of medium size silicon clusters. In this work the GA uses a semiempirical energy function to find the best cluster structures, which are further optimized using density-functional theory. For small clusters our resu…
Dissolution of carbonate minerals has significant environmental effects. Microorganisms affect carbonate dissolution rates by producing extracellular metabolites, including complex polysaccharides such as alginic acid. Using a combined atomic force microscopy (AFM)/flowthrough reactor apparatus, we investigated the ef…
Abstract For Abstract see ChemInform Abstract in Full Text.
Spectroscopic properties of ${\mathrm{Ce}}^{3+}$ in ${\mathrm{Gd}}_{3}{\mathrm{Sc}}_{2}{\mathrm{Al}}_{3}{\mathrm{O}}_{12}$ have been investigated by high-pressure luminescence and absorption spectroscopy up to 200 kbar. The emission and absorption bands originating from $5d\ensuremath{\leftrightarrow}4f$ transitions w…
Laterally varying thickness gradients of poly(acrylic acid) (PAA) were formed by Zn(II)-catalyzed electropolymerization of acrylic acid (AA) in the presence of an in-plane electrochemical potential gradient applied to Au working electrodes. In the static potential gradient (SPG) approach, two ends of a Au working elec…
A soluble polyaniline (PANi) was synthesized by modifying with a photolabile, acid-labile, and thermolabile tert -butoxycarbonyl (t-BOC) group in this study. The prepared PANi(t-BOC) is highly soluble and thermodynamically stable in low-boiling solvents such as THF, dioxane, and CHCl 3 . This soluble form of PANi(t-BO…
Abstract An infrared spectroscopic method was used to follow the course of in situ polymerization of zinc dimethacrylate (ZDMA) in poly(α‐octylene‐ co ‐ethylene) elastomer (POE). The integral intensity of the 831 cm −1 band, ie the out‐of‐plane deformation mode of CH, was used to determine the residual amount of ZDMA…
We report the synthesis of four conjugated copolymers based on alkylated fluorene or phenylene units which band gap is tuned by the regular insertion of an electron-donating or electron-withdrawing unit, (3,4-ethylenedioxy)thiophene and pyridine, respectively. The (AB) n regular sequence is achieved by Suzuki polycond…
Xylose isomerase (E.C. 5.3.1.5) catalyzes the interconversion of aldose and ketose sugars and has an absolute requirement for two divalent cations at its active site to drive the hydride transfer rates of sugar isomerization. Evidence suggests some degree of metal movement at the second metal site, although how this m…
The optical properties of in situ deposited gold nanoparticle coatings are investigated for potential application in architectural glass. It is found that the optical properties of the coating can be controlled by the pH of the deposition solution. At a pH of 5.1, the color of the coatings develops from pink, through…
Dissolution of nanosized crystallites may be inhibited and even suppressed due to their small size. Nanoparticles with size distribution similar to that of critical dissolution pits (see picture) can be kinetically stabilized against further dissolution even in undersaturated solutions. In biological systems, this beh…
The adsorption properties of O(2) molecules on anionic, cationic, and neutral Au(n) clusters (n=1-6) are studied using the density functional theory (DFT) with the generalized gradient approximation (GGA), and with the hybrid functional. The results show that the GGA calculations with the PW91 functional systemically…
Amphiphilic pore walls facilitate reversible sorption of short-chain alcohols by the 1D microporous organic–inorganic hybrid [1-Na]3[PW12O40] assembled from calix[4]arene–Na+ complex 1-Na+ (R1=R2=H) and the polyoxotungstate anion [PW12O40]3−. The analogous assembly formed with 2-Na+ (R1=tBu, R2=CH2CO2Et) has a 3D micr…