A new 2,2,2-triflouroethanol model for molecular dynamics simulations

A new model for 2,2,2-trifluoroethano1 is proposed. It is a 7-atom model with the methylene group treated as an united atom. The model was optimized to reproduce the physicochemical properties of the pure liquid. The properties of the new model were compared with the available experimental data over a range of temperatures. Furthermore, mixtures with the SPC water model were simulated to assess the ability to reproduce available thermodynamic and kinetic data as well as dielectric properties. The model provides a good agreement with experimental data for the neat liquid and for mixtures with water

Handedness correlates with the dominant parkinson side:A systematic review and meta-analysis

Parkinson's disease (PD) characteristically presents with asymmetrical symptoms, contralateral to the side of the most extensive cerebral affection. This intriguing asymmetry, even included in the definition for diagnosing PD, however, is still part of a mystery. The relation with handedness as a common indicator of cerebral asymmetry might provide a clue in the search for causal factors of asymmetrical symptom onset in PD. This possible relationship, however, is still under debate. The objective of this study was to establish whether a relation between handedness and dominant PD side exists. We searched for cross-sectional or cohort studies that registered handedness and onset side in PD patients in PubMed, EMBASE, and Web of Science from their first record until 14 February 2011. Data about handedness and dominant PD side was extracted. Authors who registered both but not described their relation were contacted for further information. Odds ratios (ORs) were analyzed with a fixed effect Mantel-Haenszel model. Heterogeneity and indications of publication bias were limited. Our electronic search identified 10 studies involving 4405 asymmetric PD patients. Of the right-handed patients, 2413 (59.5%) had right-dominant and 1644 (40.5%) had left-dominant PD symptoms. For the left-handed patients this relation was reversed, with 142 (40.8%) right-dominant and 206 (59.2%) left-dominant PD symptoms. Overall OR was 2.13 (95% confidence interval [CI], 1.712.66). Handedness and symptom dominance in PD are firmly related with each other in such a way that the PD symptoms emerge more often on the dominant hand-side. Possible causal factors are discussed. (C) 2011 Movement Disorder Societ

Entwicklung und Erprobung eines Agroforstsystems im ökologischen Landbau zur Energieholzgewinnung

Das Projekt „Entwicklung und Erprobung eines Agroforstsystems im ökologischen Landbau zur Energieholzgewinnung“ ist eine Kooperation der beiden bayerischen Landesanstalten für Landwirtschaft (LfL) und für Wald und Forstwirtschaft (LWF). Die Versuchsstandorte liegen in der nördlichen Münchener Ebene bei Freising und im südlichen Frankenjura in der Nähe von Kaisheim. Die zentrale Frage des Projektes ist, welche Erträge und Qualitäten die landwirtschaftlichen Feldfrüchte in einem Agroforstsystem im Vergleich zur herkömmlichen Bewirtschaftung ohne Bäume auf dem Acker liefern. Es wird eine positive Wirkung von Baumstreifen im Kurzumtrieb auf den Ertrag der dazwischen liegenden landwirtschaftlichen Kulturen erwartet. Außerdem wird untersucht, ob in einem Agroforstsystem die gesamte Biomasseerzeugung im Vergleich zur reinen landwirtschaftlichen Nutzung nachhaltig höher ist. Die möglichst effiziente Etablierung von schnellwachsenden Baumarten auf Flächen des Ökolandbaus ist eine weitere Fragestellung des Projekts. Erste Beobachtungen unterschiedlicher Begründungsverfahren und zum Leistungsvergleich verschiedener Hybrid-Pappelklone mit heimischen Baumarten werden vorgestellt

Geothermal Potential of the Brenner Base Tunnel—Initial Evaluations

Increasing demands on mobility and transport, but limited space above ground, lead to new traffic routes being built, even more underground in the form of tunnels. In addition to improving the traffic situation, tunnels offer the possibility of contributing to climate-friendly heating by indirectly serving as geothermal power plants. In this study, the geothermal potential of the future longest railway tunnel in the world, the Brenner Base Tunnel, was evaluated. At the Brenner Base Tunnel, warm water naturally flows from the apex of the tunnel towards the city of Innsbruck, Austria. In order to estimate its geothermal potential, hydrological data of discharge rates and temperatures were investigated and analyzed. The investigations indicated the highest geothermal potential in the summertime, while the lowest occurs during winter. It could be shown that these variations were a result of cooling during discharge through areas of low overburden (mid mountain range), where the tunnel atmosphere is increasingly influenced by the air temperatures outside the tunnel. Nevertheless, the calculations showed that there will be a usable potential after completion of the tunnel

Reaktionen 4,4-Bis(trifluormethyl)-substituierter Heterodiene mit Alkinen / Reactions of 4,4-Bis(trifluoromethyl) Substituted Heterodienes with Alkynes

Burger K, Sewald N, Huber E, Ottlinger R. Reaktionen 4,4-Bis(trifluormethyl)-substituierter Heterodiene mit Alkinen / Reactions of 4,4-Bis(trifluoromethyl) Substituted Heterodienes with Alkynes. Zeitschrift für Naturforschung B. 1989;44(10):1298-1312

Increased plasma zonulin in patients with sepsis

Introduction: Zonulin is a eukaryotic protein structurally similar to Vibrio cholerae’s zonula occludens toxin. It plays an important role in the opening of small intestine tight junctions. The loss of gut wall integrity during sepsis might be pivotal and has been described in various experimental as well as human studies. Increased levels of zonulin could be demonstrated in diseases associated with increased intestinal inflammation, such as celiac disease and type 1 diabetes. We therefore investigated the role of plasma levels of zonulin in patients with sepsis as a non-invasive marker of gut wall integrity. Materials and methods: Plasma level of zonulin was measured in 25 patients with sepsis, severe sepsis or septic shock according to ACCP/SCCM criteria at the first day of diagnosed sepsis. 18 non-septic post-surgical ICU-patients and 20 healthy volunteers served as control. Plasma levels were determined by using commercially available ELISA kit. Data are given as median and interquartile range (IQR). Results: Significantly higher plasma concentration of zonulin were found in the sepsis group: 6.61 ng/mL (IQR 3.51-9.46), as compared to the to the post-surgical control group: 3.40 ng/mL (IQR 2.14-5.70) (P = 0.025), as well as to the healthy group: 3.55 ng/mL (IQR 3.14-4.14) (P = 0.008). Conclusion: We were able demonstrate elevated levels of plasma zonulin, a potential marker of intestinal permeability in septic patients. Increased zonulin may serve as an additional mechanism for the observed increased intestinal permeability during sepsis and SIRS

First-dose analgesic effect of the cyclo-oxygenase-2 selective inhibitor lumiracoxib in osteoarthritis of the knee: a randomized, double-blind, placebo-controlled comparison with celecoxib [NCT00267215]

Cyclo-oxygenase-2 selective inhibitors are frequently used to manage osteoarthritis. We compared the analgesic efficacy of the novel cyclo-oxygenase-2 selective inhibitor lumiracoxib (Prexige(®)) versus placebo and celecoxib in patients with knee osteoarthritis. This seven day, double-blind, placebo and active comparator controlled, parallel group study included 364 patients aged ≥50 years with moderate-to-severe symptomatic knee osteoarthritis. Patients received lumiracoxib 400 mg/day (four times the recommended chronic dose in osteoarthritis; n = 144), placebo (n = 75), or celecoxib 200 mg twice daily (n = 145). The primary variable was actual pain intensity difference (100 mm visual–analogue scale) between baseline and the mean of three hour and five hour assessments after the first dose. Actual pain intensity difference, average and worst pain, pain relief and functional status (Western Ontario and McMaster Universities Osteoarthritis Index [WOMAC™]) were measured over seven days. Patients also completed a global evaluation of treatment effect at study end or premature discontinuation. For the primary variable, the superiority of lumiracoxib versus placebo, the noninferiority of lumiracoxib versus celecoxib, and the superiority of lumiracoxib versus celecoxib were assessed by closed test procedure adjusting for multiplicity, thereby maintaining the overall 5% significance level. In addition, celecoxib was assessed versus placebo in a predefined exploratory manner to assess trial sensitivity. Lumiracoxib provided better analgesia than placebo 3–5 hours after the first dose (P = 0.004) through to study end. The estimated difference between lumiracoxib and celecoxib 3–5 hours after the first dose was not significant (P = 0.185). Celecoxib was not significantly different from placebo in this analysis (P = 0.069). At study end 13.9% of lumiracoxib-treated patients reported complete pain relief versus 5.5% and 5.3% of celecoxib and placebo recipients, respectively. WOMAC™ total and subscales improved for both active treatments versus placebo except for difficulty in performing daily activities, for which celecoxib just failed to achieve significance (P = 0.056). In the patient's global evaluation of treatment effect, 58.1% of patients receiving lumiracoxib rated treatment as 'excellent' or 'good', versus 48.6% of celecoxib and 25.3% of placebo patients. Lumiracoxib was well tolerated. The overall incidence of adverse events was similar across treatment groups

Oscillations and interactions of dark and dark-bright solitons in Bose-Einstein condensates

Solitons are among the most distinguishing fundamental excitations in a wide range of non-linear systems such as water in narrow channels, high speed optical communication, molecular biology and astrophysics. Stabilized by a balance between spreading and focusing, solitons are wavepackets, which share some exceptional generic features like form-stability and particle-like properties. Ultra-cold quantum gases represent very pure and well-controlled non-linear systems, therefore offering unique possibilities to study soliton dynamics. Here we report on the first observation of long-lived dark and dark-bright solitons with lifetimes of up to several seconds as well as their dynamics in highly stable optically trapped $^{87}$Rb Bose-Einstein condensates. In particular, our detailed studies of dark and dark-bright soliton oscillations reveal the particle-like nature of these collective excitations for the first time. In addition, we discuss the collision between these two types of solitary excitations in Bose-Einstein condensates.Comment: 9 pages, 4 figure