Ancillary ligand effect on single-site styrene polymerization: isospecificity of group 4 metal bis(phenolate) catalysts

Styrene is polymerized isospecifically by group 4 metal complexes that contain a C2-symmetrically coordinated 1,4-dithiabutane-linked bis(phenolato) ligand activated by methylaluminoxane.     

Some noncoercive parabolic equations with lower order terms in divergence form

This paper deals with existence and regularity results for the problem $ \cases{u_t-\mathrm{div}(a(x,t,u )\nabla u)=-\mathrm{div}(u\,E) \qquad in \Omega\times (0,T),\cr u=0 \qquad on \partial \Omega\times (0,T), \cr u (0)= u_0 \qquad in \Omega ,\cr} $ under various assumptions on E and $ u_0 $. The main difculty in studying this problem is due to the presence of the term div(uE), which makes the differential operator non coercive on the "energy space" $ L^2 (0, T; H_0^1 (\Omega)) $.AMS Subject Classification: 35K10, 35K15, 35K65.     

On flows of H 3/2-vector fields on the circle

In this paper we study the regularity of flow maps of H ^3/2-vector fields on the circle in terms of fractional Sobolev spaces. This problem is motivated by the understanding of the geometry of Bers’s universal Teichmüller space.     

Characterization of the first beta-class carbonic anhydrase from an arthropod (Drosophila melanogaster) and phylogenetic analysis of beta-class carbonic anhydrases in invertebrates

Background

The β-carbonic anhydrase (CA, EC 4.2.1.1) enzymes have been reported in a variety of organisms, but their existence in animals has been unclear. The purpose of the present study was to perform extensive sequence analysis to show that the β-CAs are present in invertebrates and to clone and characterize a member of this enzyme family from a representative model organism of the animal kingdom, e.g., Drosophila melanogaster.

Results

The novel β-CA gene, here named DmBCA, was identified from FlyBase, and its orthologs were searched and reconstructed from sequence databases, confirming the presence of β-CA sequences in 55 metazoan species. The corresponding recombinant enzyme was produced in Sf9 insect cells, purified, kinetically characterized, and its inhibition was investigated with a series of simple, inorganic anions. Holoenzyme molecular mass was defined by dynamic light scattering analysis and gel filtration, and the results suggested that the holoenzyme is a dimer. Double immunostaining confirmed predictions based on sequence analysis and localized DmBCA protein to mitochondria. The enzyme showed high CO₂ hydratase activity, with a k_cat of 9.5 × 10⁵ s^-1 and a k_cat/K_M of 1.1 × 10⁸ M^{- 1}s^{- 1}. DmBCA was appreciably inhibited by the clinically-used sulfonamide acetazolamide, with an inhibition constant of 49 nM. It was moderately inhibited by halides, pseudohalides, hydrogen sulfide, bisulfite and sulfate (K_I values of 0.67 - 1.36 mM) and more potently by sulfamide (K_I of 0.15 mM). Bicarbonate, nitrate, nitrite and phenylarsonic/boronic acids were much weaker inhibitors (K_Is of 26.9 - 43.7 mM).

Conclusions

The Drosophila β-CA represents a highly active mitochondrial enzyme that is a potential model enzyme for anti-parasitic drug development.     

X-Ray Crystal Structure of Phyllostin,a Metabolite Produced by <Emphasis Type="Italic">Phyllosticta cirsii</Emphasis>, a Potential Mycoherbicide of <Emphasis Type="Italic">Cirsium arvense</Emphasis>

Abstract  

The X-ray crystal structure of phyllostin (8-hydroxy-3-methyl-2-oxo-2,3,4a,5,8,8a-hexahydro-benzo[1,4]dioxine-6-carboxylic acid methyl ester) is reported. Phyllostin was recently and for the first time isolated, together with phytotoxin phyllostoxin and the phyllostictines A–D, from the culture filtrates of Phyllosticta cirsii, a fungal pathogen isolated from diseased Cirsium arvense leaves and evaluated as biocontrol agent of this noxious perennial weed. Phyllostin crystallizes in the monoclinic space group P2₁ with unit cell parameters: a = 8.371(2), b = 7.026(1), c = 9.918(1) ?, β = 92.013(8)°, Z = 2. The final refinement converged to R1 = 0.0530 for 1026 observed reflections having I > 2σ(I). In the molecule two trans joined six-membered rings are present. The cyclohexene ring adopts a half-chair conformation. The 2-oxo-1,4-dioxan ring adopts a distorted half-chair conformation. The relative stereochemistry of the four chiral centers turns out to be 3R,4aS,8R,8aS. In the crystal packing molecules form infinite chains through O–H···O intermolecular hydrogen bonds. Chains run along the crystallographic a axis forming layers of molecules stacking in the [0 1 0] direction.     

Measurement of the resistivity of porous materials with an alternating air-flow method

Air-flow resistivity is a main parameter governing the acoustic behavior of porous materials for sound absorption. The international standard ISO 9053 specifies two different methods to measure the air-flow resistivity, namely a steady-state air-flow method and an alternating air-flow method. The latter is realized by the measurement of the sound pressure at 2 Hz in a small rigid volume closed partially by the test sample. This cavity is excited with a known volume-velocity sound source implemented often with a motor-driven piston oscillating with prescribed area and displacement magnitude. Measurements at 2 Hz require special instrumentation and care. The authors suggest an alternating air-flow method based on the ratio of sound pressures measured at frequencies higher than 2 Hz inside two cavities coupled through a conventional loudspeaker. The basic method showed that the imaginary part of the sound pressure ratio is useful for the evaluation of the air-flow resistance. Criteria are discussed about the choice of a frequency range suitable to perform simplified calculations with respect to the basic method. These criteria depend on the sample thickness, its nonacoustic parameters, and the measurement apparatus as well. The proposed measurement method was tested successfully with various types of acoustic materials.     

Freudenthal duality and generalized special geometry

Freudenthal duality, introduced in Borsten et al. (2009) [1] and defined as an anti-involution on the dyonic charge vector in d=4 space-time dimensions for those dualities admitting a quartic invariant, is proved to be a symmetry not only of the classical Bekenstein-Hawking entropy but also of the critical points of the black hole potential.Furthermore, Freudenthal duality is extended to any generalized special geometry, thus encompassing all N>2 supergravities, as well as N=2 generic special geometry, not necessarily having a coset space structure.     

Fractal regularity results on optimal irrigation patterns

In this paper the problem of the regularity, i.e. fractal behaviour, of the minima of the branched transport problem is addressed. We show that, under suitable conditions on the irrigated measure, the minima present a fractal regularity, that is on a given branch of length l the number of branches bifurcating from it whose length is comparable with ε   can be estimated both from above and below by l/ε$l/\epsilon$.     

Negatively buoyant plume dispersion: a comparison of simple mathematical models, hydraulic simulations and field data

Summary The ground-level concentration distribution for negatively buoyant gases of various densities, emitted from stacks with heights, diameters and exit velocities varying in the typical range of geothermal drilling activities, was studied by means of hydraulic simulations performed in neutral conditions at different flow speeds. These measurements, and a few others taken in the field in nearly neutral and unstable atmosphere during tests of CO₂ release from a geothermal well, were compared with the values expected from a Gaussian formula corrected for denser-than-air, tilted plumes. For calculating theoretical concentrations, three couples of horizontal and vertical plume standard deviations as functions of downwind distance from source were employed: those given by Singer-Smith and Briggs and a third one obtained by our group during a previous water channel experiment. Also the maximum ground-level concentration and its distance from the source were measured in each simulation and compared with the prediction of our Gaussian formula, as well as with a best-fit expression given by Meroney. The concentration pattern χ(x, y, 0) given by the corrected Gaussian formula proved to be in good agreement with experimental data, especially in association with Singer-Smith's or our sigmas. When only maximum g.l. concentrations are needed, also the simple formula suggested by Meroney can give a good approximation.

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Riassunto Una serie di simulazioni in vasca senza stratificazione, condotte a varie velocità della vena idraulica, ha permesso di studiare la distribuzione di concentrazione al suolo dovuta a gas con varie densità maggiori di quella dell'aria, emessi da ciminiere con altezze, diametri e velocità di efflusso variabili entro intervalli tipici delle attività di perforazione geotermica. Queste misure, ed alcune altre ottenute in campo in condizioni di atmosfera circa neutra e instabile durante prove di rilascio di CO₂ da un pozzo geotermico, sono state confrontate con i valori attesi in base ad una formula gaussiana corretta per pennacchi inclinati. Nel calcolo delle concentrazioni teoriche si sono impiegate tre diverse coppie di espressioni per le deviazioni standard orizzontale e verticale del pennacchio: quelle date da Singer-Smith e Briggs ed una terza ottenuta dal nostro gruppo durante una precedente esperienza in canale idraulico. In ciascuna prova si è misurata anche la concentrazione massima al suolo e la sua distanza dalla sorgente; queste quantità sono state raffrontate con le previsioni della formula gaussiana e con una espressione empirica proposta da Meroney. Il campo di concentrazione χ(x, y, 0) dato dalla formula gaussiana corretta è risultato in buon accordo con le misure, specialmente se associato alle sigma di Singer-Smith o alle nostre. Quando sia sufficiente una valutazione della concentrazione massima, anche la semplice formula di Meroney può dare una buona approssimazione.

     

Path integral synthesis of lyapunov functionals for partial differential equations

A method is given for constructing Lyapunov Functionals for dynamical systems governed by partial differential equations. The functionals are obtained as path integrals in a suitably chosen state space of a generalized gradient operator, and the method may be viewed as an extension to infinite dimensional systems of the variable gradient technique. Some of the fundamental concepts underlying the formalism are reviewed, and examples of applications to some linear, non-linear and hybrid systems are given.