Materials Literature
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Abstract The reactivities and reaction rates of the thiol–ene coupling reaction of 2‐ethyl‐(hydroxymethyl)‐1,3‐propanediol trimercapto acetate and 2‐ethyl‐(hydroxymethyl)‐1,3‐propanediol trimercapto propionate with two common unsaturated fatty acid methyl esters (methyl oleate and methyl linoleate) were evaluated. The…
For magnetic-dipolar modes in a ferrite, components of the magnetic flux density in a helical coordinate system are dependent on both an orientation of a gyration vector and a sign of a pitch. It gives four types of helical harmonics for magnetostatic-potential wave functions in a ferrite disk. Because of the reflecti…
The Maxwell equations are formulated in a generally covariant and metric-free way in 1+3 and subsequently in 4 dimensions. For this purpose, we use the excitations $\cal D$, $\cal H$ and the field strengths $E,B$. A local and linear constitutive law between excitations and field strengths is assumed, with a constituti…
We introduce a scheme for constructing partly occupied, maximally localized Wannier functions (WFs) for both molecular and periodic systems. Compared to the traditional occupied WFs the partly occupied WFs posses improved symmetry and localization properties achieved through a bonding-antibonding closing procedure. We…
A polylactide (D,L-PLA) macroRAFT agent was prepared by utilizing a hydroxyl-functional trithiocarbonate as a coinitiator for the ring-opening polymerization. The length of the resultant polymer was controlled by the concentration of the coinitiator leading to the formation of two PLA polymers with M(n) = 12500 g mol(…
The magnetic properties of dilute magnetic semiconductors (DMSs) are calculated from first-principles by mapping the ab initio results on a classical Heisenberg model. By using the Korringa--Kohn--Rostoker coherent-potential approximation (KKR-CPA) method within the local-density approximation, the electronic structur…
Nanoscale superstructures made from CdTe nanowires (NWs) and metal nanoparticles (NPs) are prepared via bioconjugation reactions. Prototypical biomolecules, such as d -biotin and streptavidin pair, were utilized to connect NPs and NWs in solution. It was found that Au NPs form a dense shell around a CdTe NW. The super…
In this Review, we describe the synthesis of high-quality colloidal nanoparticles in organic solvents, the mechanisms by which they can be transferred into aqueous solution, and some of their applications in biology. In particular, we will place emphasis on the creation of multifunctional nanoparticles or nanoparticle…
Ein As2L3-Metallocryptant wurde mithilfe einer prädiktablen Designstrategie für den Aufbau selbstorganisierter supramolekularer Arsenkomplexe erhalten. Der Komplex ist gegen eine Reihe von kompetitiven Metallionen, starke Säuren und überschüssigen Ligand erstaunlich stabil. Röntgenstrukturanalyse und Dichtefunktionalr…
We present a simple molecular level model based on Gay-Berne monomers linked by finitely extendable nonlinear elastic potential bonds for describing main chain polymerization in liquid crystals. We apply the model to study the influence that the order of the medium has on the characteristics of the chains obtained. We…
Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-(trans-4-n-pentylcyclohexyl)benzonitrile (PCH5) using a fully atomistic model. Simulation data have been obtained for a series of temperatures in the nematic phase. The simulation data have been used to calculate the fl…
Nach Art eines magnetischen Minerals: Die kontrollierte Hydrolyse von Eisen(III)-salzen führt zu molekularen Einheiten, die ausschließlich Eisen(III)-Zentren enthalten. Die Eisen- und Sauerstoffatome sind wie in Magnetit angeordnet (siehe Bild; Fe gelb, O rot, N blau, C grau), die Produkte haben Grundzustände mit groß…
We measured the incorporation of adsorbed alkanes in and their desorption from the amorphous solid water (ASW) by means of secondary ion mass spectroscopy and temperature programmed desorption. The heavier alkanes such as butane and hexane are incorporated completely in the bulk of the nonporous ASW layer below 100 K…
Surface enhanced Raman spectroscopy (SERS) of dyes in solution allows the study of the differences between ensemble averaged spectroscopic signals and single molecular events. We address several outstanding issues in single molecule detection via SERS; in particular, evidence for single molecule vibrational pumping an…
We have measured the dielectric relaxation of several glass forming branched alkanes with very low dielectric loss in the frequency range 50 Hz-20 kHz. The molecular liquids of this study are 3-methylpentane, 3-methylheptane, 4-methylheptane, 2,3-dimethylpentane, and 2,4,6-trimethylheptane. All liquids display asymmet…
We present a study of internal pressure and surface tension of bare and hydrogen coated silicon nanoparticles of 2-10 nm diameter as a function of temperature, using molecular dynamics simulations employing a reparametrized Kohen-Tully-Stillinger interatomic potential. The internal pressure was found to increase with…
The non-native states of the model protein hen lysozyme (native state shown in picture) were investigated by using site-directed mutagenesis in combination with high-resolution NMR spectroscopy. The disruptions of the interactions between hydrophobic clusters by single point mutations dramatically alter the overall co…
An ac photopyroelectric calorimeter has been used to measure the thermal diffusivity of the perovskite manganite family ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Sr}}_{x}\mathrm{Mn}{\mathrm{O}}_{3}$ on a set of single crystals with doping range $0\ensuremath{\leqslant}x\ensuremath{\leqslant}0.35$. Taking into account…
The salt [ET](3)[Sb(2)(L-tart)(2)].CH(3)CN (1) has been obtained by electrocrystallization of the organic donor bis(ethylendithio)tetrathiafulvalene (ET or BEDT-TTF) in the presence of the chiral anionic complex [Sb(2)(L-tart)(2)](2-) (L-tart = (2R,3R)-(+)-tartrate). This salt crystallizes in the chiral space group P2…
The production of $n$-type doped diamond has proved very difficult. Phosphorus, and possibly sulfur, when in substitutional sites in the lattice, forms a donor which could be used in electronic devices. Boron, which is a relatively shallow acceptor, can be passivated by hydrogen, and it is possible that some of the di…