Three-dimensional structure of Saccharomyces cerevisiae inorganic pyrophosphatase complexed with cobalt and phosphate ions

Crystals of Saccharomyces cerevisiae inorganic pyrophosphatase suitable for X-ray diffraction study were grown by cocrystallization of the enzyme with cobalt chloride and imidodiphosphate. Saccharomyces cerevisiae is a metal-dependent enzyme which catalyzes hydrolysis of inorganic pyrophosphate to orthophosphate. The three-dimensional structure of this enzyme was solved by the molecular-replacement method and refined at 1.8 Å resolution to an R factor of 19.5%. Cobalt and phosphate ions were revealed in the active centers of both identical subunits (A and B) of the pyrophosphatase molecule. In subunit B, a water molecule was found between two cobalt ions. It is believed that this water molecule acts as an attacking nucleophile in the enzymatic cleavage of the pyrophosphate bond. It was demonstrated that cobalt ions and a phosphate group occupy only part of the potential binding sites (two chemically identical and crystallographically independent subunits have different binding sites). The arrangement of ligands and the structure of the nucleophile-binding site are discussed in relation to the mechanism of action of the enzyme and the nature of the metal activator.     

A note on the necessary conditions for the algebraic Riccati equation

We derive some useful and easily computable necessary conditionsfor the existence of a positive semi-definite solution to thealgebraic Ricatti equation (ARE). A motivating example is givento highlight the usefulness of the conditions for controllerand observer designs for nonlinear systems. Further, an upperbound on the trace of the solution to the ARE is also derived.     

On theL p-bounds for maximal functions associated to convex bodies inR n

The dimension-freeL ²-maximal inequality for convex symmetric bodies obtained in [2] is extended forp>3/2.     

Karhunen–Loeve representations of turbulent channel flows using the method of snapshots

For three‐dimensional flows with one inhomogeneous spatial coordinate and two periodic directions, the Karhunen–Loeve procedure is typically formulated as a spatial eigenvalue problem. This is normally referred to as the direct method (DM). Here we derive an equivalent formulation in which the eigenvalue problem is formulated in the temporal coordinate. It is shown that this so‐called method of snapshots (MOS) has some numerical advantages when compared to the DM. In particular, the MOS can be formulated purely as a matrix composed of scalars, thus avoiding the need to construct a matrix of matrices as in the DM. In addition, the MOS avoids the need for so‐called weight functions, which emerge in the DM as a result of the non‐uniform grid typically employed in the inhomogeneous direction. The avoidance of such weight functions, which may exhibit singular behaviour, guarantees satisfaction of the boundary conditions. The MOS is applied to data sets recently obtained from the direct simulation of turbulence in a channel in which viscoelasticity is imparted to the fluid using a Giesekus model. The analysis reveals a steep drop in the dimensionality of the turbulence as viscoelasticity is increased. This is consistent with the results that have been obtained with other viscoelastic models, thus revealing an essential generic feature of polymer‐induced drag reduced turbulent flows. Published in 2006 by John Wiley & Sons, Ltd.     

Optical detection of NO3 and NO2 in “pure” HNO3 vapor,the liquid-phase decomposition of HNO3

Flowing and static gas-phase samples of HNO₃ in O₂ and N₂ were analyzed by long-path ultraviolet/visible (UV/VIS) spectroscopy to reveal the presence of both NO₂ and NO₃, the concentrations of which were calculated using differential absorption cross sections. NO₂ is produced predominantly by the heterogeneous decomposition of HNO₃, whereas NO₃ is generated in the gas phase by the thermal decomposition of N₂O₅, a product of the self-disproportionation of liquid HNO₃. © 1993 John Wiley & Sons, Inc.     

Thickness and temperature dependence of subsidiary absorption thresholds in yttrium-iron-garnet thin films

The microwave subsidiary absorption threshold in tangentially magnetized yttrium-iron-garnet (YIG) films was measured as a function of the static magnetic field, film thickness and decrease in the 0.3–3 μm range is observed. The effect is explained quantitatively by using modified Damon-Eshbach dispersion relations which take into account exchange interactions.

The effect of temperature on h_crit, the smallest threshold field amplitude, in the 250<T< 450 K temperature range can be expressed by an empirical relationship h_crit M_s(T)^-1.6 where M_s is the saturation magnetization. This h_crit vs M_s relationship is similar to that obtained for the magnetization dependence of parallel pump thresholds in Li-Ti ferrite compounds.     

Computation of confined coflow jets with three turbulence models

A numerical study of confined jets in a cylindrical duct is carried out to examine the performance of two recently proposed turbulence models: an RNG-based K-? model and a realizable Reynolds stress algebraic equation model. The former is of the same form as the standard K-? model but has different model coefficients. The latter uses an explicit quadratic stress-strain relationship to model the turbulent stresses and is capable of ensuring the positivity of each turbulent normal stress. The flow considered involves recirculation with unfixed separation and reatachment points and severe adverse pressure gradients, thereby providing a valuable test of the predictive capability of the models for complex flows. Calculations are performed with a finite volume procedure. Numerical credibility of the solutions is ensured by using second-order-accurate differencing schemes and sufficiently fine grids. Calculations with the standard K-? model are also made for comparison. Detailed comparisons with experiments show that the realizable Reynolds stress algebraic equation model consistently works better than does the standard K-? model in capturing the essential flow features, while the RNG-based K-? model does not seem to give improvements over the standard K-? model under the flow conditions considered.     

Database reverse engineering: From requirements to CARE tools

This paper analyzes the requirements that CASE tools should meet for effective database reverse engineering (DBRE), and proposes a general architecture for data-centered applications reverse engineering CASE environments. First, the paper describes a generic DBMS-independent DBRE methodology, then it analyzes the main characteristics of DBRE activities in order to collect a set of desirable requirements. Finally, it describes DB-MAIN, an operational CASE tool developed according to these requirements. The main features of this tool that are described in this paper are its unique generic specification model, its repository, its transformation toolkit, its user interface, the text processors, the assistants, the methodological control and its functional extensibility. Finally, the paper describes five real-world projects in which the methodology and the CASE tool were applied. This is a heavily revised and extended version of “Requirements for Information System Reverse Engineering Support” by J.-L. Hainaut, V. Englebert, J. Henrard, J.-M. Hick, D. Roland, which first appeared in the Proceedings of the Second Working Conference on Reverse Engineering, IEEE Computer Society Press, pp. 136–145, July 1995. This paper presents some results of the DB-MAIN project. This project is partially supported by the Région Wallonne, the European Union, and by a consortium comprising ACEC-OSI (Be), ARIANE-II (Be), Banque UCL (Lux), BBL (Be), Centre de recherche public H. Tudor (Lux), CGER (Be), Cockerill-Sambre (Be), CONCIS (Fr), D'Ieteren (Be), DIGITAL, EDF (Fr), EPFL (CH), Groupe S (Be), IBM, OBLOG Software (Port), ORIGIN (Be), Ville de Namur (Be), Winterthur (Be), 3 Suisses (Be). The DB-Process subproject is supported by the Communauté Fran?aise de Belgique.