An unprecedented alpha-C-C agostic interaction in a cyclopropyl tris(pyrazolyl)boratoniobium complex

Structural, spectroscopic and theoretical evidence indicate that an unusual alpha-C-C agostic interaction is preferred over both alpha- and beta-C-H agostic alternatives in the title compound, TpMe2NbCl(c-C3H5)(MeCCMe).     

Self–regularization by projection for noisy pseudodifferential equations of negative order

It is well known, that pseudodifferential equations of negative order considered in Sobolev spaces with small smoothness indices are ill–posed. On the other hand, it is known that efficient discretization schemes with properly chosen discretization parameters allow to obtain a regularization effect for such equations. The main accomplishment of the present paper is the principle for the adaptive choice of the discretization parameters directly from noisy discrete data. We argue that the combination of this principle with wavelet–based matrix compression techniques leads to algorithms which are order–optimal in the sense of complexity.     

Normal cones of monomial primes

We explicitly calculate the normal cones of all monomial primes which define the curves of the form , where . All of these normal cones are reduced and Cohen-Macaulay, and their reduction numbers are independent of the reduction. These monomial primes are new examples of integrally closed ideals for which the product with the maximal homogeneous ideal is also integrally closed.

Substantial use was made of the computer algebra packages Maple and Macaulay2.

     

Effect of geometry on magnetization distortion in closed-circuit magnetic measurements

The effect of specimen geometry on magnetization distortion in closed-circuit measurements is reported in this letter. The degree of the distortion increases as the ratio of length to diameter (L/D) of specimen decreases, and the distortion can reduce the magnetization values as much as 42% when the applied magnetic field is 24 kOe and the L/D is 0.28. The type of magnetic material also affects the distortion. Although the phenomenon seems to be similar to the “image effect” that occurs in open-circuit measurements, reports of this effect in closed-circuit measurements have not been found in the literature. Further research effort, including 3D computer modeling, for understanding this magnetic phenomenon is underway and will be reported later.     

The synthesis and the crystal and molecular structure of the fungicide bis(4-fluorophenyl)-methyl(1H-1,2,4-triazol-1-yl-methyl)silane (flusilazole,DPX H 6573)

Detailed procedures (based on the respective patent literature) for the preparation of the broadspectrum fungicide flusilazole (DPX H 6573) on the laboratory scale are described using as the starting material dichloro(chloromethyl)methylsilane [CH₃(ClCH₂)SiCl₂]. In addition, the crystal and molecular structure of flusilazole (determined by means of X-ray diffraction analysis) is described.     

Nachweis von Peroxyden und Persalzen

Ohne Zusammenfassung     

Asymptotic regularity of solutions to Hartree–Fock equations with Coulomb potential

We study the asymptotic regularity of solutions to Hartree–Fock (HF) equations for Coulomb systems. To deal with singular Coulomb potentials, Fock operators are discussed within the calculus of pseudo‐differential operators on conical manifolds. First, the non‐self‐consistent‐field case is considered, which means that the functions that enter into the nonlinear terms are not the eigenfunctions of the Fock operator itself. We introduce asymptotic regularity conditions on the functions that build up the Fock operator, which guarantee ellipticity for the local part of the Fock operator on the open stretched cone ?₊ × S². This proves the existence of a parametrix with a corresponding smoothing remainder from which it follows, via a bootstrap argument, that the eigenfunctions of the Fock operator again satisfy asymptotic regularity conditions. Using a fixed‐point approach based on Cancès and Le Bris analysis of the level‐shifting algorithm, we show via another bootstrap argument that the corresponding self‐consistent‐field solutions to the HF equation have the same type of asymptotic regularity. Copyright © 2008 John Wiley & Sons, Ltd.     

Synthesis of the selective antimuscarinic agent 4-{[cyclohexylhydroxy(2-methoxyphenyl)silyl]-methyl}-1,1-dimethylpiperazinium methyl sulfate (o-methoxy-sila-hexocyclium methyl sulfate)

The synthesis of the potent and highly selective silicon-containing antimuscarinic agent o-methoxysila-hexocyclium methyl sulfate and its corresponding tertiary amine (isolated as the dihydrochloride) is described. The quarternary compound is an o-methoxy derivative of sila-hexocyclium methyl sulfate, which represents one of the tools currently used in experimental pharmacology for the subclassification of muscarinic receptors. The o-methoxy derivative, the pharmacological profile of which differs substantially from that of the nonmethoxy compound, is also recommended as a tool for the investigation of muscarinic receptor heterogeneity.