Repeatable method of thermal stress fracture test of brittle materials

Method heats specimens slowly and with sufficient control so that the critical temperature gradient in the specimens cannot occur before temperature equilibrium is reached

Heating and Trapping of Electrons in ECRIS from Scratch to Afterglow

Plasmas in Electron Cyclotron Resonance Ion Sources (ECRIS) are collisionless and can therefore be simulated by just following the motion of electrons in the confining static magnetic and oscillating microwave (MW) electric field of ECRIS. With a powerful algorithm the three-dimensional trajectories of 104 ECR-heated and confined electrons are calculated in a standard ECRIS with a deep minimum of |B| and a new ECRIS with a very flat minimum of |B|. The spatial electron (plasma) densities and electron energy densities deduced from these trajectories yield new and surprising insight in the performance of ECRIS. With computer animation we plan to present: The energy increase of certain electrons on extremely stable trajectories, the power dependence of the electron energy density up to the X-ray collapse, the time dependent build up of the electron density and energy density distributions, and the time evolution of these electron distributions under afterglow conditions

Dynamics of metal clusters in rare gas clusters

We investigate the dynamics of Na clusters embedded in Ar matrices. We use a hierarchical approach, accounting microscopically for the cluster's degrees of freedom and more coarsely for the matrix. The dynamical polarizability of the Ar atoms and the strong Pauli-repulsion exerted by the Ar-electrons are taken into account. We discuss the impact of the matrix on the cluster gross properties and on its optical response. We then consider a realistic case of irradiation by a moderately intense laser and discuss the impact of the matrix on the hindrance of the explosion, as well as a possible pump probe scenario for analyzing dynamical responses.Comment: Proceedings of the 30th International Workshop on Condensed Matter Theories, Dresden, June 05 - 10, 2006, World Scientific. 3 figure

Nano-optical concept design for light management

Efficient light management in optoelectronic devices requires nanosystems where high optical qualities coincide with suitable device integration. The requirement of chemical and electrical passivation for integrating nanostrutures in e.g. thin film solar cells points towards the use of insulating and stable dielectric material, which however has to provide high scattering and near-fields as well. We investigate metal@dielectric core-shell nanoparticles and dielectric nanorods. Whereas core-shell nanoparticles can be simulated using Mie theory, nanorods of finite length are studied with the finite element method. We reveal that a metallic core within a thin dielectric shell can help to enhance scattering and near-field cross sections compared to a bare dielectric nanoparticle of the same radius. A dielectric nanorod has the benefit over a dielectric nanosphere in that it can generate much higher scattering cross sections and also give rise to a high near-field enhancement along its whole length. Electrical benefits of e.g. Ag@oxide nanoparticles in thin-film solar cells and ZnO nanorods in hybrid devices lie in reduction of recombination centers or close contact of the nanorod material with the surrounding organics, respectively. The optical benefit of dielectric shell material and elongated dielectric nanostructures is highlighted in this paper

Radar plots: A novel modality for displaying disparate data on the efficacy of eluxadoline for the treatment of irritable bowel syndrome with diarrhea

BackgroundPatients with irritable bowel syndrome with diarrhea (IBS‐D) experience a range of abdominal and bowel symptoms; successful management requires alleviation of this constellation of symptoms. Eluxadoline, a locally active mixed μ‐ and κ‐opioid receptor agonist and δ‐opioid receptor antagonist, is approved for the treatment of IBS‐D in adults based on the results of 2 Phase 3 studies. Radar plots can facilitate comprehensive, visual evaluation of diverse but interrelated efficacy endpoints.MethodsTwo double‐blind, placebo‐controlled, Phase 3 trials (IBS‐3001 and IBS‐3002) randomized patients meeting Rome III criteria for IBS‐D to twice‐daily eluxadoline 75 or 100 mg or placebo. Radar plots were prepared showing pooled Weeks 1‐26 response rates for the primary efficacy composite endpoint (simultaneous improvement in abdominal pain and stool consistency), stool consistency, abdominal pain, urgency‐free days, and adequate relief, and change from baseline to Week 26 in IBS‐D global symptom score, abdominal discomfort, abdominal pain, abdominal bloating, and daily number of bowel movements.Key ResultsThe studies enrolled 2428 patients. Eluxadoline increased Weeks 1‐26 responder proportions vs placebo for the composite endpoint, stool consistency, abdominal pain, urgency‐free days, and adequate relief. Changes from baseline to Week 26 in IBS‐D global symptom score, abdominal discomfort, abdominal pain, abdominal bloating, and number of bowel movements were greater with eluxadoline vs placebo.Conclusions and InferencesData presentation in radar plot format facilitates interpretation across multiple domains, demonstrating that eluxadoline treatment led to improvements vs placebo across 13 endpoints representing the range of symptoms experienced by patients with IBS‐D.Data presentation in radar plot format can facilitate evaluation of the diverse array of symptoms and outcomes that are relevant to a symptom‐based condition like irritable bowel syndrome with diarrhea (IBS‐D). In 2 Phase 3 trials, eluxadoline treatment improved stool consistency and frequency, abdominal pain, bloating and discomfort, feelings of urgency, global symptom score, and adequate relief. Radar plots provide a visual demonstration of improvements with eluxadoline across 13 endpoints encompassing the diverse constellation of symptoms experienced by patients with IBS‐D.Peer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/145265/1/nmo13331_am.pdfhttps://deepblue.lib.umich.edu/bitstream/2027.42/145265/2/nmo13331.pd

Anthelmintic activity and cytotoxic effects of compounds isolated from the fruits of Ozoroa insignis del. (Anacardiaceae)

Ozoroa insignis Del. is an ethnobotanical plant widely used in traditional medicine for various ailments, including schistosomiasis, tapeworm, and hookworm infections. From the so far not investigated fruits of Ozoroa insignis, the anthelmintic principles could be isolated through bioassay-guided isolation using Caenorhabditis elegans and identified by NMR spectroscopic analysis and mass spectrometric studies. Isolated 6-[8(Z)-pentadecenyl] anacardic (1), 6-[10(Z)-heptadecenyl] anacardic acid (2), and 3-[7(Z)-pentadecenyl] phenol (3) were evaluated against the 5 parasitic organisms Schistosoma mansoni (adult and newly transformed schistosomula), Strongyloides ratti, Heligmosomoides polygyrus, Necator americanus, and Ancylostoma ceylanicum, which mainly infect humans and other mammals. Compounds 1-3 showed good activity against Schistosoma mansoni, with compound 1 showing the best activity against newly transformed schistosomula with 50% activity at 1microM. The isolated compounds were also evaluated for their cytotoxic properties against PC-3 (human prostate adenocarcinoma) and HT-29 (human colorectal adenocarcinoma) cell lines, whereby compounds 2 and 3 showed antiproliferative activity in both cancer cell lines, while compound 1 exhibited antiproliferative activity only on PC-3 cells. With an IC50 value of 43.2 microM, compound 3 was found to be the most active of the 3 investigated compounds

Correlated ab-initio calculations for ground-state properties of II-VI semiconductors

Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence ($ns,np$) correlations are evaluated using the coupled cluster approach with single and double excitations. An incremental scheme is applied based on correlation contributions of localized bond orbitals and of pairs and triples of such bonds. In view of the high polarity of the bonds in II-VI compounds, we examine both, ionic and covalent embedding schemes for the calculation of individual bond increments. Also, a partitioning of the correlation energy according to local ionic increments is tested. Core-valence ($nsp,(n-1)d$) correlation effects are taken into account via a core-polarization potential. Combining the results at the correlated level with corresponding Hartree-Fock data we recover about 94% of the experimental cohesive energies; lattice constants are accurate to \sim 1%; bulk moduli are on average 10% too large compared with experiment.Comment: 10 pages, twocolumn, RevTex, 3 figures, accepted Phys. Rev.

Experimental identification of unique angular dependent scattering behavior of nanoparticles

Abstract Background Nanoparticles exhibit unique light scattering properties and are applied in many research fields. Methods In this work, we perform angular resolved scattering measurements to study the scattering behaviour of random and periodic silver (Ag), and periodic polystyrene (PS) nanoparticles. Results The random Ag nanoparticles, with a wide particle size distribution, are able to broadbandly scatter light into large angles. In contrast, both types of periodic nanoparticles are characterized by a strong scattering zone where scattering angles are increasing as the wavelength increases. Conclusions Angular resolved scattering measurements enable experimentally revealing the particular scattering properties of different nanostructures

Eluxadoline Benefits Patients With Irritable Bowel Syndrome With Diarrhea in a Phase 2 Study

Background & AimsSimultaneous agonism of the μ-opioid receptor and antagonism of the δ-opioid receptor can reduce abdominal pain and diarrhea in patients with irritable bowel syndrome with diarrhea (IBS-D) without constipating side effects. We evaluated the efficacy and safety of a minimally absorbed, μ-opioid receptor agonist and δ-opioid receptor antagonist (eluxadoline) in a phase 2 study in patients with IBS-D.MethodsWe randomly assigned 807 patients to groups that received oral placebo twice daily or 5, 25, 100, or 200 mg oral eluxadoline for 12 weeks. The primary end point was clinical response at week 4, defined by a mean reduction in daily pain score from baseline of ≥30%, and of at least 2 points on 0−10 scale, as well as a stool consistency score of 3 or 4 on the Bristol Stool Scale (1–7) for at least 66% of daily diary entries during that week.ResultsSignificantly more patients receiving 25 mg (12.0%) or 200 mg (13.8%) eluxadoline met the primary end point of clinical response than patients given placebo (5.7%; P < .05). Patients receiving eluxadoline at 100 mg and 200 mg also had greater improvements in bowel movement frequency and urgency, global symptoms, quality of life, and adequate relief assessments (P < .05). Additionally, patients receiving 100 mg (28.0%) or 200 mg (28.5%) eluxadoline were significantly more likely than those receiving placebo (13.8%; P < .005) to meet the US Food and Drug Administration response end point during the full 12 weeks of the study. Eluxadoline was well tolerated with a low incidence of constipation.ConclusionsIn a phase 2 study of the mixed μ-opioid receptor agonist/δ-opioid receptor antagonist eluxadoline vs placebo in patients with IBS-D, patients given eluxadoline were significantly more likely to be clinical responders, based on a composite of improvement in abdominal pain and stool consistency. Further study of eluxadoline is warranted to assess its potential as a treatment for IBS-D. ClinicalTrials.gov number, NCT0113027

The nature of the bonding in symmetrical pincer palladacycles

The accuracy of DFT-optimised geometries of the symmetrical pincer palladacycles PdNCN and PdSCS, [ClPd{2,6- Me2NCH2)2C6H3}] and [ClPd{2,6-(MeSCH2)2C6H3}] respectively, has been evaluated by investigating the performance of eight commonly used density functionals with four combinations of basis set, in reproducing their X-ray crystal structures. It was found that whilst the ωB97XD functional performed best over all, the PBE and TPSS functionals performed best when considering the palladium coordination geometry. The role of the donor atom in the stability and reactivity of the symmetric palladacycles, PdYCY, Y = N, S, or P, has been determined using Bader’s Atoms in Molecules method to elucidate the nature of the bonding, and using a model formation reaction, which involves the C–H activation of the pincer ligand YCY by PdCl2. The calculations reveal distinct differences in the bond strength and nature of the interaction of Pd with the donor atoms Y, which support differences in the thermodynamic stability of the palladacycles