Neutron and x-ray diffuse scattering study of tetrathiofulvalene tetracyanoquinodimethane (TTF--TCNQ)

Results of extensive x-ray and neutron scattering experiments are: (1) Below the Peierls transition taking place at 54/sup 0/K, two additional structural phase transitions are observed at 49/sup 0/K and 38/sup 0/K. (2) Above the Peierls transition two different precursor 1-d fluctuations have been observed. Suggestions for future studies are given. (LK

Pain Reduction in Adults with Limb Spasticity Following Treatment with IncobotulinumtoxinA: a Pooled Analysis

Some studies have shown that incobotulinumtoxinA reduces spasticity-associated pain, but further evidence is needed. This exploratory analysis pooled pain-relief data from six Phase 2 or 3 studies of incobotulinumtoxinA (four placebo-controlled studies) for treating upper limb spasticity in adults. Spasticity-associated pain was assessed at baseline and 4 weeks post incobotulinumtoxinA injection using the disability assessment scale (DAS) for pain. Only data for patients with pain at baseline were analysed. Overall, 544 (incobotulinumtoxinA, N = 415; placebo, N = 129) of 937 patients (58.1%) experienced pain at baseline. At Week 4, a significantly greater proportion of incobotulinumtoxinA- (52.1%) than placebo-treated patients (28.7%; Chi-square p < 0.0001) showed a response (≥1-point improvement in DAS pain score). In logistic regression analysis, incobotulinumtoxinA-treated patients were 2.6 times more likely to achieve this endpoint than placebo-treated patients. A significant difference between incobotulinumtoxinA and placebo was observed regardless of baseline pain severity. Additionally, 27.1% of incobotulinumtoxinA- versus 12.4% of placebo-treated patients reported complete pain relief at Week 4 (p = 0.0006). Pain relief increased with multiple injection cycles. To achieve patient-centred care, pain relief may be considered a treatment goal in adults with spasticity-associated pain regardless of pain severity. This study contributes to understanding the benefits of incobotulinumtoxinA in treating limb spasticity-associated pain.info:eu-repo/semantics/publishedVersio

Immobilization of Monolayer Protected Lipophilic Gold Nanorods on a Glass Surface

We present a novel process of immobilization of gold nanorods (GNRs) on a glass surface. Wedemonstrate that by exploiting monolayer protection of the GNRs, their unusual opticalproperties can be completely preserved. UV–visible spectroscopy and atomic forcemicroscopy analysis are used to reveal the optical and morphological properties of monolayerprotected immobilized lipophilic GNRs, and molecular dynamics simulations are used toelucidate their surface molecule arrangements

Glitz

The crystal structure of the orthorhombic and tetragonal phases of La(Ba 2-xLax)Cu3-yO 6+x/2-y+ z are determined on twinned crystals. The orthorhombic structure, obtained for low x, is close to the regular Y-Ba-Cu-O type (twin a * b * c-b * a * c), but is highly copper deficient on the Cu(1) site (~ 30 %). The local correlations (ξ ~ 20 Å) between copper atoms and vacancies, as deduced from X-ray diffuse scattering, correspond to a short-range segregation of vacancies in chains. As a consequence of the large amount of defects, these crystals are non-typical semiconductors. The tetragonal structure, x ≃ 0.50, leads to tri-twinned crystals with 90° faulting, a * a * 3 a-a * 3 a * a -3 a * a * a (a, the perovskite lattice constant). In these materials the copper sites are found to be strongly anharmonic. This is due to the disorder introduced by the La-Ba substitution. These crystals are also semiconductors with a T-1/4 activation law for the conductivity which indicates that variable range hopping is expected to set in, a consequence of localization by the disorder

Dynamics of cubic-tetragonal phase transition in KNbO3_3 perovskite

The low-energy part of the vibration spectrum in KNbO$_3$ was studied by cold neutron inelastic scattering in the cubic phase. In addition to acoustic phonons, we observe strong diffuse scattering, which consists of two components. The first one is quasi-static and has a temperature-independent intensity. The second component appears as quasi-elastic scattering in the neutron spectrum indicating a dynamic origin. From analysis of the inelastic data we conclude that the quasi-elastic component and the acoustic phonon are mutually coupled. The susceptibility associated with the quasi-elastic component grows as the temperature approaches T$_C$

Diastereoselective additions of organometallic reagents to (SFc)-2-p-tolylsulfanylferrocene carboxyaldehyde and to (SFc)-2-p-tolylsulfanyl ferrocenyl imines. Synthesis of new central and planar chiral ferrocenyl alcohols and amines

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Testing the daytime oxidizing capacity of the troposphere: 1994 OH field campaign at the Izaña Observatory, Tenerife

A field campaign was carried out during May 1994 at the Izaña station, Tenerife. This campaign was part of the program Environment and Climate sponsored by the European Commission to study the influence of European emissions on the oxidizing capacity of a clean tropospheric environment. Daytime and also nighttime measurements were made, covering the OH as well as the NO3 chemistry. This paper presents the OH measurements taken with a multipass optical absorption spectrometer (MOAS) and discusses the daytime chemistry in a statistical and therefore more preliminary way. All relevant parameters influencing the OH concentration were monitored. From the data the two main contributions to the OH production can clearly be discerned and are given by the primary production following the ozone photolysis and the O(1D)-H2O reaction and by the catalytic reactions of NOx in the recycling process. The latter processes prove to contribute a dominant part to the OH concentration. The measurements of the nonmethane hydrocarbons (NMHC) especially of the biogenics, indicate a considerable influence of the NMHC on the absolute values of the OH concentration at Tenerife.This work has been financially supported by the European Commission (grant EV5V-CT93-0321), by the DFG, and by the Fonds der Chemischen Industrie, which is gratefully acknowledged

The Energetics of Li Off-Centering in K1−x_{1-x}Lix_xTaO3_3; First Principles Calculations

K$_{1-x}$Li$_{x}$TaO$_3$ (KLT) solid solutions exhibit a variety of interesting physical phenomena related to large displacements of Li-ions from ideal perovskite A-site positions. First-principles calculations for KLT supercells were used to investigate these phenomena. Lattice dynamics calculations for KLT exhibit a Li off-centering instability. The energetics of Li-displacements for isolated Li-ions and for Li-Li pairs up to 4th neighbors were calculated. Interactions between nearest neighbor Li-ions, in a Li-Li pair, strongly favor ferroelectric alignment along the pair axis. Such Li-Li pairs can be considered "seeds" for polar nanoclusters in KLT. Electrostriction, local oxygen relaxation, coupling to the KT soft-mode, and interactions with neighboring Li-ions all enhance the polarization from Li off-centering. Calculated hopping barriers for isolated Li-ions and for nearest neighbor Li-Li pairs are in good agreement with Arrhenius fits to experimental dielectric data.Comment: 14 pages including 10 figures. To Physical Review B. Replaced after corrections due to referees' remark

Polarization Dependence of Born Effective Charge and Dielectric Constant in KNbO3_3

The Born effective charge Z^{*} and dielectric tensor \epsilon_{\infty} of KNbO_3 are found to be very sensitive to the atomic geometry, changing by as much as 27% between the paraelectric cubic and ferroelectric tetragonal and rhombohedral phases. Subtracting the bare ionic contribution reveals changes of the dynamic component of Z^{*} as large as 50%, for atomic displacements that are typically only a few percent of the lattice constant. Z^{*}, \epsilon_{\infty} and all phonon frequencies at the Brillouin zone center were calculated using the {\it ab initio} linearized augmented plane-wave linear response method with respect to the reference cubic, experimental tetragonal, and theoretically determined rhombohedral ground state structures. The ground state rhombohedral structure of KNbO_3 was determined by minimizing the forces on the relaxed atoms. By contrast with the cubic structure, all zone center phonon modes of the rhombohedral structure are stable and their frequencies are in good agreement with experiment. In the tetragonal phase, one of the soft zone center modes in the cubic phase is stablized. In view of the small atomic displacements involved in the ferroelectric transitions, it is evident that not only the soft mode frequencies but also the Born effective charge and dielectric constants are very sensitive to the atomic geometry.Comment: 26 pages, revtex, no figures; to appear in Phys. Rev. B15 (Oct.), 199