Crystallization of Arthrobacter sp. strain 1C N-(1-D-carboxyethyl)-L-norvaline dehydrogenase and its complex with NAD+

The novel NAD+-linked opine dehydrogenase from a soil isolate Arthrobacter sp. strain 1C belongs to an enzyme superfamily whose members exhibit quite diverse substrate specificites. Crystals of this opine dehydrogenase, obtained in the presence or absence of co-factor and substrates, have been shown to diffract to beyond 1.8 ? resolution. X-ray precession photographs have established that the crystals belong to space group P21212, with cell parameters a = 104.9, b = 80.0, c = 45.5 ? and a single subunit in the asymmetric unit. The elucidation of the three-dimensional structure of this enzyme will provide a structural framework for this novel class of dehydrogenases to enable a comparison to be made with other enzyme families and also as the basis for mutagenesis experiments directed towards the production of natural and synthetic opine-type compounds containing two chiral centres.     

The free surface on a liquid between cylinders rotating at different speeds. Part III

Summary This paper is a further contribution to our work on the Weissenberg effect. One goal of our work is to show how the free-surface deformations on a viscoelastic fluid which is sheared between two concentric rotating cylinders can be used to determine rheological data about the fluid. In this paper we report the results of an experimental program in which free surface shapes have been measured on three viscoelastic fluids undergoing shearing in an apparatus consisting of a stationary outer cylinder and four interchangeable rotating inner cylinders. Experimentally-measured profiles are compared with profiles predicted from second-order theory, and found to be in excellent agreement for STP and TLA-227 in the range of applicability of the second-order theory, but there is some disagreement in the results for a 2% solution of polyacrylamide in 49% water –49% glycerin.

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Zusammenfassung Diese Arbeit stellt einen weiteren Beitrag zu unseren Untersuchungen über den Weissenberg-Effekt dar. Ein Ziel dieser Untersuchungen ist es zu zeigen, wie die Deformation der freien Oberfläche einer zwischen zwei konzentrischen Zylindern gescherten viskoelastischen Flüssigkeit dazu verwendet werden kann, rheologische Kenngrößen der Flüssigkeit zu gewinnen. In dieser Arbeit wird über die Ergebnisse einer experimentellen Untersuchung berichtet, in der die Gestalt der freien Oberfläche bei drei viskoelastischen Flüssigkeiten gemessen wurde, die in einem Apparat geschert wurden, der aus einem stationären Außenzylinder und vier auswechselbaren rotierenden Innenzylindern bestand. Die experimentell bestimmten Profile werden mit solchen verglichen, die aufgrund einer Theorie zweiter Ordnung vorausgesagt worden sind. Man findet im Bereich der Anwendbarkeit dieser Theorie für STP und TLA-227 eine ausgezeichnete Übereinstimmung, wohingegen die Ergebnisse bei einer 2%igen Polyacrylamid-Lösung in einer 1:1-Wasser-Glycerin-Mischung gewisse Diskrepanzen aufweisen.

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With 12 figures and 1 table     

Linked Supramolecular Building Blocks for Enhanced Cluster Formation

Methylene‐bridged calix[4]arenes have emerged as extremely versatile ligand supports in the formation of new polymetallic clusters possessing fascinating magnetic properties. Metal ion binding rules established for this building block allow one to partially rationalise the complex assembly process. The ability to covalently link calix[4]arenes at the methylene bridge provides significantly improved control over the introduction of different metal centres to resulting cluster motifs. Clusters assembled from bis‐calix[4]arenes and transition metal ions or 3d‐4f combinations display characteristic features of the analogous calix[4]arene supported clusters, thereby demonstrating an enhanced and rational approach towards the targeted synthesis of complex and challenging structures.     

Facile Interchange of 3d and 4f Ions in Single‐Molecule Magnets: Stepwise Assembly of [Mn4], [Mn3Ln] and [Mn2Ln2] Cages within Calix[4]arene Scaffolds

The central Mn^II ions in a series of calix[4]arene‐stabilised butterflies can be sequentially replaced with Ln^III ions, maintaining the structural integrity of the molecule but transforming its magnetic properties. The replacement of Mn^II for Gd^III allows for the examination of the transferability of spin‐Hamiltonian parameters within the family as well as permitting their reliable determination. The introduction of the 4f ions results in weaker intramolecular magnetic exchange, an increase in the number of low‐lying excited states, and an increase in magnetisation relaxation, highlighting the importance of exchange over single‐ion anisotropy for the observation of SMM behaviour in this family of complexes. The presence of the [TM^II/III(TBC[4])(OH)(solvent)] metalloligand (TM=transition metal, TBC=p‐tBu‐calix[4]arene) suggests that magnetic calix[n]arene building blocks can be employed to encapsulate a range of different “guests” within structurally robust “hosts”.     

Fullerenes without symmetry: crystallographic characterization of C1(30)-C90 and C1(32)-C90

Fullerenes are generally considered as highly symmetric, yet fullerene isomers with only C(1) symmetry, such as C(1)(30)-C(90) and C(1)(32)-C(90) whose structures are reported here, become increasingly numerous as fullerene size increases.     

Free surface on a simple fluid between rotating eccentric cylinders. Part II: Experiments

This paper summarizes the results from an experimental investigation of the effects of eccentricity and rotational speed on the free surface shape on a viscoelastic liquid between eccentric cylinders. In the experimental geometry, the inner cylinder rotates and the outer cylinder is stationary. The experiments show that there is a circumferential pressure gradient (the lubrication effect) which has a dominant influence on the free surface shape at all eccentricities and rotational speeds. For a liquid with small normal stress effects, the normal-stress induced component of the deformation tends to be overwhelmed by the lubrication effect, whereas a liguid with large normal stress effects exhibits characteristics normal-stress induced deformations at small eccentricities and rotational speeds. There is good agreement between experiment and second order predictions for the large normal stress liquid under these conditions. The ranges of eccentricities and rotational speeds for which second order theory describes the low normal stress liquid appear to be much more limited and are difficult to reproduce experimentally.