SEFE without Mapping via Large Induced Outerplane Graphs in Plane Graphs

We show that every n‐vertex planar graph admits a simultaneous embedding without mapping and with fixed edges with any ‐vertex planar graph. In order to achieve this result, we prove that every n‐vertex plane graph has an induced outerplane subgraph containing at least vertices. Also, we show that every n‐vertex planar graph and every n‐vertex planar partial 3‐tree admit a simultaneous embedding without mapping and with fixed edges.     

Concomitant Carboxylate and Oxalate Formation From the Activation of CO2 by a Thorium(III) Complex

Improving our comprehension of diverse CO₂ activation pathways is of vital importance for the widespread future utilization of this abundant greenhouse gas. CO₂ activation by uranium(III) complexes is now relatively well understood, with oxo/carbonate formation predominating as CO₂ is readily reduced to CO, but isolated thorium(III) CO₂ activation is unprecedented. We show that the thorium(III) complex, [Th(Cp′′)₃] ( 1 , Cp′′={C₅H₃(SiMe₃)₂‐1,3}), reacts with CO₂ to give the mixed oxalate‐carboxylate thorium(IV) complex [{Th(Cp′′)₂[κ²‐O₂C{C₅H₃‐3,3′‐(SiMe₃)₂}]}₂(μ‐κ²:κ²‐C₂O₄)] ( 3 ). The concomitant formation of oxalate and carboxylate is unique for CO₂ activation, as in previous examples either reduction or insertion is favored to yield a single product. Therefore, thorium(III) CO₂ activation can differ from better understood uranium(III) chemistry.     

Monogenic plane waves and the W‐functional calculus

In this paper, we introduce some integral transforms that map slice monogenic functions to monogenic functions. We then show that one of these integral transforms, which is based on the Cauchy formula of slice monogenic functions, is useful to define a functional calculus depending on a parameter for n‐tuples of bounded operators. Copyright © 2015 John Wiley & Sons, Ltd.     

Accurate steady-state and zero-time fluorescence spectra of large molecules in solution by a first-principle computational method

We report the first-principle calculation and analysis of the vibrationally resolved steady-state absorption and fluorescence spectra, and of the zero-time fluorescence spectrum of a sizable molecule, coumarin C153, in two different solvents. Our approach, bringing together the most recent developments in the fields of time-dependent density functional theory and of polarizable continuum solvent models, with an efficient method for the computation of vibrational contributions to transition intensities, allows a remarkable agreement with experiments, both concerning the line shapes and the solvatochromic and Stokes shifts. The method is also able to nicely describe the solvent relaxation effect on the fluorescence spectra, perfectly reproducing the energy shift between zero-time and steady-state fluorescence.     

Genetic microheterogeneity of human transthyretin detected by IEF

Mutations of the human transthyretin (TTR) gene have attracted medical interest as a cause of amyloidosis. Recently, we have described in detail an electrophoretic procedure with PAGE followed by IEF in urea gradients for the study of the microheterogeneity of TTR monomers (Altland, K., Winter, P., Sauerborn, M. K., Electrophoresis 1999, 20, 1349-1364). In this paper, we present a study on 49 different mutations of TTR including 33 that result in electrically neutral amino acid substitutions. The aims of the investigation were to test the sensitivity of the procedure to detect TTR variants in patients with TTR amyloidosis and their relatives and to identify some common characteristics that could explain the amyloidogenicity of these variants. We found that all tested amyloidogenic mutations could be detected by our method with the exception of those for which the corresponding variant was absent in plasma samples. Most of the electrically neutral amyloidogenic TTR variants had in common a reduced conformational stability of monomers by the activity of protons and urea. For three variants, e.g. TTR-F64L, TTR-I107V and TTR-V122I, the monomers had a conformational stability close to that of normal monomers but we found experimental and structural arguments for a weakening of the monomer-monomer contact. All types of amyloidogenic mutations affected the stability of TTR tetramers.     

HPLC with diode-array detection for the simultaneous determination of di(2-ethylhexyl)phthalate and mono(2-ethylhexyl)phthalate in seminal plasma

A high-performance liquid chromatographic method for the simultaneous determination of di(2-ethylhexyl)phthalate (DEHP) and its major metabolite mono(2-ethylhexyl)phthalate (MEHP) in seminal plasma was developed and validated. The method involves liquid-liquid extraction followed by isocratic reversed-phase chromatography with diode-array detection. The recovery, selectivity, linearity, precision and accuracy of the method were evaluated from the analysis of spiked seminal plasma samples. The effect of mobile-phase composition and pH on the retention of the target analytes was investigated. The limits of detection were 0.010 and 0.015 microg/mL, for DEHP and MEHP, respectively. This method was used to analyze real samples in support of clinical studies on these potential endocrine disruptors.