Fractional damping enhances chaos in the nonlinear Helmholtz oscillator

Nonlinear Dynamics - The main purpose of this paper is to study both the underdamped and the overdamped dynamics of the nonlinear Helmholtz oscillator with a fractional-order damping. For that...     

Use of anion-exchange high-performance liquid chromatography for the study of smooth muscle myosin light-chain kinase and its catalytic domain

Avian myosin light-chain kinase from smooth muscle of the gizzard and its catalytic domain, derived from the intact enzyme by trypsin digestion, was purified within 30-40 min by both analytical and preparative anion-exchange high-performance liquid chromatography. The proteins obtained were more than 95% pure and retained their biological activity. The high-performance anion-exchange chromatography protocols represent a significant decrease in purification time when compared with conventional ion-exchange chromatography.     

Solid-state photodimerization of steroid enones

Androst-4-ene-3,17-dione (1) and 17alpha-methyltestosterone (2) are dimerized in the solid-state by UV radiation. These substances were selected by a search in the CSD among the steroid enones presenting in the crystalline state an intermolecular short contact between a hydrogen alpha to a carbonyl group and the oxygen of an enone system. Dimerization occurs by transfer of the hydrogen to the oxygen and connection between the two involved carbons. Androst-4-ene-3,17-dione (1) affords dimer 3 and trimer 4, both formed by connection of the C-16 of a molecule with the C-3 of a near one. Irradiation of 17alpha-methyltestosterone (2) gives the isomeric trienones 5 and 6. These compounds are reasonably formed by dehydration of unisolated intermediate products 7 and/or 8 obtained by coupling of two molecules through a linkage between the C-2 and the C-3' carbons. The formation mechanisms of the photoproducts are satisfactory explained on the basis of the molecular arrangement of the monomers in the crystal state. Modeling of the dimeric molecules was done using molecular mechanics calculations. A single-crystal X-ray of the dimer of androst-4-ene-3,17-dione confirms the structural interpretation of spectral data. The conformer found in the solid-state agrees well with the results of molecular mechanics calculations.     

Verminderung der Einwaage bei der Schwefelmikrobestimmung nach Schöniger

Zusammenfassung Es wurde die Möglichkeit untersucht, die Probemenge bei der Schwefelmikrobestimmung nachSchöniger, ohne das gewöhnliche Verfahren wesentlich zu modifizieren, durch Anwendung eines geänderten Kolbens zu vermindern.Innerhalb der üblichen Toleranzgrenzen liegende Ergebnisse (Standardabweichung ± 0,13%) wurden mit Einwaagen von 1,5 bis 2 mg erhalten.

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Summary The possibility was investigated of reducing the weight of sample in the micro determination of sulfur by theSchöniger procedure, but without essentially modifying the usual method, namely by using a modified flask. Samples weighing 1.5 to 2 mg gave results within the usual tolerance limits (standard deviation ± 0.13%).

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Résumé On a étudié la possibilité de diminuer la prise d'essai dans le mierodosage du soufre suivantSchöniger, sans altérer d'une manière importante le procédé habituel, en utilisant un ballon modifié. Les résultats qui se situent dans les limites de tolérance habituelles (écart-type=± 0,13%) correspondent à des prises, d'essai de 1,5 à 2 mg.

     

Dimer asymmetry in superoxide dismutase studied by molecular dynamics simulation

Summary Molecular dynamics (MD) simulations of 100 ps have been carried out to study the active-site behaviour of the Cu,Zn superoxide dismutase dimer (SOD) in water. The active site of each subunit was monitored during the whole simulation by calculating the distances between functional residues and the catalytic copper. The results indicate that charge orientation is maintained at each active site but the solvent accessibility varies. Analysis of the MD simulation, carried out by using the atomic displacement covariance matrix, has shown a different intra-subunit correlation pattern for the two monomers and the presence of inter-subunit correlations. The MD simulation presented here indicates an asymmetry in the two active sites and different dynamic behaviour of the two SOD subunits.     

Uranyl-salophen based ditopic receptors for the recognition of quaternary ammonium halides

Uranyl-salophen complexes endowed with aromatic side arms behave as very efficient ditopic receptors towards tetralkylammonium halides as a result of a combination of Lewis acid-base and cation-pi interactions.     

Unprecedented detection of inherent chirality in uranyl-salophen complexes

In complexes with the uranyl dication salophen ligands are highly puckered. This implies that non-symmetrically substituted uranyl-salophen derivatives exist in principle as a pair of enantiomers. However, due to easy disrotations about the bonds connecting the phenoxide units to the imine carbons, the rate of interconversion between enantiomeric forms of simple, sterically unhindered compounds is extremely fast. Bulky substituents in appropriate positions decrease the interconversion rate and make this novel type of inherent chirality detectable by 1H and 13C NMR.