Triesterase and Promiscuous Diesterase Activities of a Di‐CoII‐Containing Organophosphate Degrading Enzyme Reaction Mechanisms

The reaction mechanism for the hydrolysis of trimethyl phosphate and of the obtained phosphodiester by the di‐Co^II derivative of organophosphate degrading enzyme from Agrobacterium radiobacter P230(OpdA), have been investigated at density functional level of theory in the framework of the cluster model approach. Both mechanisms proceed by a multistep sequence and each catalytic cycle begins with the nucleophilic attack by a metal‐bound hydroxide on the phosphorus atom of the substrate, leading to the cleavage of the phosphate‐ester bond. Four exchange‐correlation functionals were used to derive the potential energy profiles in protein environments. Although the enzyme is confirmed to work better as triesterase, as revealed by the barrier heights in the rate‐limiting steps of the catalytic processes, its promiscuous ability to hydrolyze also the product of the reaction has been confirmed. The important role played by water molecules and some residues in the outer coordination sphere has been elucidated, while the binuclear Co^II center accomplishes both structural and catalytic functions. To correctly describe the electronic configuration of the d shell of the metal ions, high‐ and low‐spin arrangement jointly with the occurrence of antiferromagnetic coupling, have been herein considered.     

Modified gravity on the brane and dark energy

We analyze the dynamics of an AdS₅ braneworld with matter fields when gravity is allowed to deviate from the Einstein form on the brane. We consider exact five-dimensional warped solutions which are associated with conformal bulk fields of weight –4 and describe on the brane the following three dynamics: those of inhomogeneous dust, of generalized dark radiation, and of homogeneous polytropic dark energy. We show that, with modified gravity on the brane, the existence of such dynamical geometries requires the presence of non-conformal matter fields confined to the brane.     

Krylov-Bogolyubov averaging of asymptotically autonomous differential equations

We apply the Krylov and Bogolyubov asymptotic integration procedure to asymptotically autonomous systems. First, we consider linear systems with quasi-periodic coefficient matrix multiplied by a scalar factor vanishing at infinity. Next, we study the asymptotically autonomous Van-der-Pol oscillator.

     

Arithmetic degree and associated graded modules

We prove that the arithmetic degree of a graded or local ring A is bounded above by the arithmetic degree of any of its associated graded rings with respect to ideal I in A. In particular, if Spec(A) is equidimensional and has an embedded component (i.e., A has an embedded associated prime ideal), then the normal cone of Spec(A) along V(I) has an embedded component too. This extends a result of W. M. Ruppert about embedded components of the tangent cone.Mathematics Subject Classification (2000): Primary 13H15, 13A30; Secondary 13D45, 14Q99     

Links in a thickened surface

For a given two-dimensional surface μ, we studi invariants for oriented links in μ×[0,1] which generalize the two-variable HOMFLY polynomials when μ is the 2-disk. These invariants are connected to multiparameter quantum groups whose special properties are discussed. Si studiano gli invarianti dei nodi in spazi del tipo μ×[0,1], dove μ è una superficie. Questi invarianti generalizzano gli invarianti di HOMFLY.

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(Conferenza tenuta dal Prof. P. Cotta-Ramusino il 16 maggio 1991)     

Euler characteristics of general linear sections and polynomial Chern classes

We obtain a precise relation between the Chern–Schwartz–MacPherson class of a subvariety of projective space and the Euler characteristics of its general linear sections. In the case of a hypersurface, this leads to simple proofs of formulas of Dimca–Papadima and Huh for the degrees of the polar map of a homogeneous polynomial, extending these formula to any algebraically closed field of characteristic \(0\), and proving a conjecture of Dolgachev on ‘homaloidal’ polynomials in the same context. We generalize these formulas to subschemes of higher codimension in projective space. We also describe a simple approach to a theory of ‘polynomial Chern classes’ for varieties endowed with a morphism to projective space, recovering properties analogous to the Deligne–Grothendieck axioms from basic properties of the Euler characteristic. We prove that the polynomial Chern class defines homomorphisms from suitable relative Grothendieck rings of varieties to \(\mathbb{Z }[t]\).