Materials Literature
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This study shows the response of silicon nanotubes (SiNTs) under axial compression using an atomistic simulation based on the Tersoff potential. The application of pressure, proportional to the deformation within Hook’s law, eventually led to a collapse of the SiNT and an abrupt change in structure. Using the sum of t…
Ein Through-Space-Superaustausch scheint für die Ladungsrekombination (CR) nach Photoanregung und Ladungstrennung (CS) in Zinkporphyrin-C60-Rotaxanen maßgeblich zu sein (siehe Bild). Darauf weist die niedrige Aktivierungsenergie dieses Prozesses hin, an dem außerdem ein relativ langlebiger Ladungstrennungszustand bete…
Cupric complexes of a novel phenanthroline-phenolate ligand have strongly distorted coordination geometries and electrochemical properties conducive to modeling the spectroscopy and reactivity of the enzyme galactose oxidase.
Abstract Two homologues of novel triphenylene mesogens possessing –O(CH2)3CF3 (F1) and –O(CH2)3(CF2)5CF3 (F6) were synthesized and investigated on the mesomorphic behavior to reveal that these show a hexagonal columnar (Colh) mesophase. The mesomorphic behavior is obviously different from those of the corresponding hy…
Die Krönung: Die L-förmige Baueinheit [Ln(H2O)2(α-AsW9O33)]6− (Ln=Lanthanoid) ermöglicht den eleganten Aufbau kronenförmiger Strukturen [{Ln(H2O)2(α-AsW9O33)}n]6n− (n=gerade Zahl ≥4), die Kationen einschließen können. Die Mühlrad-Propellerstruktur links besteht aus einem K+-Ion und sechs [α-AsW9O33]9−-Liganden, in der…
Structural proteomics is the determination of atomic resolution three-dimensional protein structures on a genome-wide scale in order to better understand the relationship between protein sequence, structure, and function. Here we describe our ongoing structural proteomics project on the nonmembrane proteins of the arc…
Abstract In the Cu(1 – x )Cr x VS system CuCr 1– x V x S 2 solid solutions isostructural with CuCrS 2 and Cu 3 VS 4 were found by replacement of Cr by V up to x = 0.20. The oxidation states of Cr and V were determined from structural data and paramagnetic susceptibility measurements. The CuCr 1– x V x S 2 solid soluti…
A method for cooling by the application of pressure was recently proposed. As in any other (magnetic) adiabatic cooling technique, the cooling results from a change in the magnetic entropy of the system under investigation. As opposed to the well known method of adiabatic demagnetization (for paramagnets) or to the ma…
The molecular and crystal structures of solvent-free potassium, rubidium, and cesium oxalates have been determined ab initio from high-resolution synchrotron and X-ray laboratory powder patterns. In the case of potassium oxalate K(2)C(2)O(4) (a = 10.91176(7) A, b = 6.11592(4) A, c = 3.44003(2) A, orthorhombic, Pbam, Z…
We present a consistent approach to the study of single (isolated) defects in crystals. This has three stages: (i) band structure calculation of a perfect host crystal is used to define the shape and size of the supercell adequately modeling a perfect crystal, (ii) further supercell point defect calculation for unrela…
Compounds CaAl(2)(-)(x)Mg(x) (0 < or = x < or = 2) were synthesized and structurally characterized by X-ray diffraction experiments. With increasing Mg content x the sequence of Laves phase structures MgCu(2) --> MgNi(2) --> MgZn(2) is revealed. The homogeneity ranges of the underlying phases were determined to be 0 <…
The dissolution of highly aggregated polyelectrolyte complex particles formed in water after addition of salt was studied. The dissolution of aggregates proceeded to soluble complexes on the molecular level of the long-chain component. The driving force of the process is the polyelectrolyte exchange reaction between t…
The behavior of surfactant−inorganic oxide−solvent systems is studied using lattice Monte Carlo simulations. Under no inorganic condensation conditions, these systems phase separate into a liquid crystal phase that contains mainly surfactant and inorganic oxide, in equilibrium with a solvent-rich phase. In the systems…
The expression of interleukin-1beta (IL-1beta) messenger RNA (mRNA) in macrophage-like cells cultured on phospholipid polymers was evaluated to determine the extent of the inflammatory response. As phospholipid polymers, poly(2-methacryloyloxyethyl phosphorylcholine(MPC)-co-n-butyl methacrylate(BMA)s (PMBs) were synth…
Highly luminescent CdTe quantum dots (QDs) were synthesised in a mixture of TOP and DDA. The growth of the particles in the reaction mixture was followed in time for three different temperatures. The reaction temperature determined the final diameter of the QDs (2.4 nm at 145 °C, 2.7 nm at 165 °C and 2.9 nm at 180 °C)…
Enzymes from psychrophilic organisms differ from their mesophilic counterparts in having a lower thermostability and a higher specific activity at low and moderate temperatures. It is in general accepted that psychrophilic enzymes are more flexible to allow easy accommodation and transformation of the substrates at lo…
Here we report the synthesis of dense arrays of Bi1-xSbx nanowires with >5 x 1010 nanowires/cm2. The individual wires are crystalline, relatively homogeneous, and highly textured in a 110 direction, with diameters of 40 nm and a composition of x = 12-15 atom % Sb. By tuning the solution concentrations and controlling…
A through-space superexchange mechanism appears to be responsible for charge recombination (CR) following photoexcitation and charge separation (CS) in rotaxanes containing zinc porphyrin and C60 moieties (see picture), as suggested by the low activation energy of this process. Furthermore, the charge-separated state…
Non-tetrahedron-forming L2 ligands insert into a resolved ΔΔΔΔ-[Ga4L16]12− tetrahedral assembly of labile metal and ligand components without compromising its supramolecular structure (see scheme). Preservation of the chirality of the initial architecture verifies its structural memory.
Gentle heating of crystalline 2,5-dibromo-3,4-ethylenedioxythiophene affords a highly conducting, bromine-doped poly(3,4-ethylenedioxythiophene) (PEDOT). The conductivity of the polymer can be further increased by doping with iodine. By using this approach, thin films of PEDOT with a conductivity as high as 20 S cm−1…