Technical University of Dortmund

About: Technical University of Dortmund is a education organization based out in Dortmund, Nordrhein-Westfalen, Germany. It is known for research contribution in the topics: Context (language use) & Large Hadron Collider. The organization has 13028 authors who have published 27666 publications receiving 615557 citations. The organization is also known as: Dortmund University & University of Dortmund.

Measuring and Modeling Activity Coefficients in Aqueous Amino-Acid Solutions

Abstract: The perturbed-chain statistical association theory (PC-SAFT) is applied to simultaneously describe various thermodynamic properties (density, vapor-pressure depression, activity coefficient, solubility) of aqueous solutions containing an amino acid or an oligopeptide. The 28 organic compounds considered within this work are glycine, alanine, serine, proline, hydroxyproline, valine, leucine, arginine, lysine, threonine, asparagine, tyrosine, histidine, cysteine, methionine, aspartic acid, glutamic acid, α-ABA, α-isoABA, β-ABA, γ-ABA, α-AVA, γ-AVA, diglycine, triglycine, dialanine, Gly-Ala, and Ala-Gly. If not yet available in literature, amino-acid solubility data and activity coefficients were determined experimentally. To prove the predictivity of PC-SAFT, osmotic coefficients in aqueous solutions containing two amino acids (glycine/valine and alanine/valine) were measured and predicted without applying any additional model parameters.

Ionic liquids: dissecting the enthalpies of vaporization.

Abstract: We calculate the heats of vaporisation for imidazolium-based ionic liquids [C(n)mim][NTf(2)] with n=1, 2, 4, 6, 8 by means of molecular dynamics (MD) simulations and discuss their behavior with respect to temperature and the alkyl chain length. We use a force field developed recently. The different cohesive energies contributing to the overall heats of vaporisations are discussed in detail. With increasing alkyl chain length, the Coulomb contribution to the heat of vaporisation remains constant at around 80 kJ mol(-1), whereas the van der Waals interaction increases continuously. The calculated increase of about 4.7 kJ mol(-1) per CH(2)-group of the van der Waals contribution in the ionic liquid exactly coincides with the increase in the heats of vaporisation for n-alcohols and n-alkanes, respectively. The results support the importance of van der Waals interactions even in systems completely composed of ions.

Hartung-Knapp-Sidik-Jonkman approach and its modification for random-effects meta-analysis with few studies

Abstract: BACKGROUND: Random-effects meta-analysis is commonly performed by first deriving an estimate of the between-study variation, the heterogeneity, and subsequently using this as the basis for combining results, i.e., for estimating the effect, the figure of primary interest. The heterogeneity variance estimate however is commonly associated with substantial uncertainty, especially in contexts where there are only few studies available, such as in small populations and rare diseases. METHODS: Confidence intervals and tests for the effect may be constructed via a simple normal approximation, or via a Student-t distribution, using the Hartung-Knapp-Sidik-Jonkman (HKSJ) approach, which additionally uses a refined estimator of variance of the effect estimator. The modified Knapp-Hartung method (mKH) applies an ad hoc correction and has been proposed to prevent counterintuitive effects and to yield more conservative inference. We performed a simulation study to investigate the behaviour of the standard HKSJ and modified mKH procedures in a range of circumstances, with a focus on the common case of meta-analysis based on only a few studies. RESULTS: The standard HKSJ procedure works well when the treatment effect estimates to be combined are of comparable precision, but nominal error levels are exceeded when standard errors vary considerably between studies (e.g. due to variations in study size). Application of the modification on the other hand yields more conservative results with error rates closer to the nominal level. Differences are most pronounced in the common case of few studies of varying size or precision. CONCLUSIONS: Use of the modified mKH procedure is recommended, especially when only a few studies contribute to the meta-analysis and the involved studies' precisions (standard errors) vary.

Measurement of the CP-violating phase phi(s) in the decay B-s(0) -> J/psi phi

Abstract: We present a measurement of the time-dependent CP-violating asymmetry in B_s -> J/psi phi decays, using data collected with the LHCb detector at the LHC. The decay time distribution of B_s -> J/psi phi is characterized by the decay widths Gamma_H and Gamma_L of the heavy and light mass eigenstates of the B_s-B_s-bar system and by a CP-violating phase phi_s. In a sample of about 8500 B_s -> J/psi phi events isolated from 0.37 fb^-1 of pp collisions at sqrt(s)=7 TeV we measure phi_s = 0.15 +/- 0.18 (stat) +/- 0.06 (syst) rad. We also find an average B_s decay width Gamma_s == (Gamma_L + Gamma_H)/2 = 0.657 +/- 0.009 (stat) +/- 0.008 (syst) ps^-1 and a decay width difference Delta Gamma_s == Gamma_L - Gamma_H} = 0.123 +/- 0.029 (stat) +/- 0.011 (syst) ps^-1. Our measurement is insensitive to the transformation (phi_s,DeltaGamma_s --> pi - phi_s, - Delta Gamma_s.

Telomerization: Advances and Applications of a Versatile Reaction

Abstract: The transition-metal catalyzed telomerization of 1,3-dienes with different nucleophiles leads to the synthesis of numerous products, such as sugar ethers, substituted lactones, or terpene derivatives, which can be applied in the cosmetic and pharmaceutical industry as well as in polymers and flavors. The reaction can be controlled by the choice of the catalytic system, the feedstock, and the reaction conditions. Since telomerization was developed in 1967, there have been many efforts to utilize this reaction. Herein we give an overview of the versatility of telomerization based on examples from research and industry, particular emphasis is placed on catalyst and process development as well as mechanistic aspects.