Retracted: The Manganese(I)-Catalyzed Asymmetric Transfer Hydrogenation of Ketones: Disclosing the Macrocylic Privilege

The bis(carbonyl) manganese(I) complex [Mn(CO)₂( 1 )]Br ( 2 ) with a chiral (NH)₂P₂ macrocyclic ligand ( 1 ) catalyzes the asymmetric transfer hydrogenation of polar double bonds with 2-propanol as the hydrogen source. Ketones (43 substrates) are reduced to alcohols in high yields (up to >99 %) and with excellent enantioselectivities (90–99 % ee). A stereochemical model based on attractive CH–π interactions is proposed.     

Biomedical application of VIMP: screening of malignant cells in the prostate

An electrochemical method for discriminating healthy and malignant tissues in prostate biopsies using the voltammetry of immobilized particles methodology is described. The method involves the sampling with graphite bars 0.5 mm in diameter on paraffin-impregnated cross sections of prostate tissues used in ordinary cytological evaluation after local staining with methylene blue (MB). The subsequent record of the voltammetric response of sample-modified graphite electrodes displays clearly different MB-centered features for healthy and malignant regions due to the different association of the dye to the respective cells.

     

Schauder Bases under Uniform Renormings

Let X be a separable superreflexive Banach space with a Schauder basis. We prove the existence of an equivalent uniformly smooth (resp. uniformly rotund) renorming under which the given basis is monotone. First author supported by the grants MTM2005-08379 of MECD (Spain), 00690/PI/04 of Fundación Séneca (CARM, Spain) and AP2003-4453 of MECD (Spain), Second author supported by AV0Z10190503 and A100190502.     

Volume of Domains in Symmetric Spaces

The authors derive a formula for the volume of a compact domain in a symmetric space from normal sections through a special submanifold in the symmetric space.This formula generalizes the volume of classical domains as tubes or domains given as motions along the submanifold.Finally,some stereological considerations regarding this formula are provided.     

Structural Formulas for Orthogonal Matrix Polynomials Satisfying Second-Order Differential Equations, I

We develop structural formulas satisfied by some families of orthogonal matrix polynomials of size $2\times 2$ satisfying second-order differential equations with polynomial coefficients. We consider here two one-parametric families of weight matrices, namely \[ H_{a,1}(t)\;=\;e^{-t^2} \left( \begin{array}{@{}cc@{}} 1+\vert a\vert ^2t^2 & at \\bar at & 1 \end{array} \right) \quad {\rm and} \quad H_{a,2}(t)\;=\;e^{-t^2} \left( \begin{array} {@{}cc@{}} 1+\vert a\vert ^2t^4 & at^2 \\bar at^2 & 1 \end{array} \right), \] $a\in \mbox{\bf C} $ and $t\in \mbox{\bf R} $, and their corresponding orthogonal polynomials.     

On the triple jump of the set of atoms of a Boolean algebra

We prove the following result concerning the degree spectrum of the atom relation on a computable Boolean algebra. Let be a computable Boolean algebra with infinitely many atoms and be the Turing degree of the atom relation of . If is a c.e. degree such that , then there is a computable copy of where the atom relation has degree . In particular, for every c.e. degree , any computable Boolean algebra with infinitely many atoms has a computable copy where the atom relation has degree .

     

SDP diagonalizations and perspective cuts for a class of nonseparable MIQP

We present a new approach, requiring the solution of a SemiDefinite Program, for decomposing the Hessian of a nonseparable mixed-integer quadratic problem to permit using perspective cuts to improve its continuous relaxation bound. The new method favorably compares with a previously proposed one requiring a minimum eigenvalue computation.     

Applicability of medium-size basis sets in calculations of molecular dynamic polarisabilities

Static and dynamic average polarisabilities and polarisability anisotropies of seven linear non-polar and polar molecules are calculated within the CCS, CC2, and CC3 approximations using a range of medium-sized basis sets: the polarised LPol-n (n = ds, dl, fs, fl), the aug-pc-n (n = 1, 2), the def2-SVPD, and -TZVPD basis sets. Reference values are obtained using a hierarchy of Dunning's (d-)aug-cc-pVXZ (X = D, T, Q, 5) basis sets. The results are discussed together with the available CCSD values in terms of basis set and correlation method errors, and their ratio. Detailed analysis shows that already the def2-SVPD basis set can be used in CCS polarisability calculations. When affordable, the slightly larger aug-pc-1 basis set is recommended, as it leads to significant reduction of basis set error. The def2-TZVPD, LPol-ds, and aug-pc-2 basis sets are optimal choice within the CC2 approximation, with the latter allowing to approach the CC2 basis set limit. The LPol-ds, -dl, and def2-TZVPD sets outperform the aug-cc-pVTZ set in average polarisability CCSD calculations, with the def2-TZVPD being competitive to other reduced-size sets also in determination of polarisability anisotropy. The aug-pc-2 basis is a particularly attractive choice for CCSD, giving the accuracy of aug-cc-pVQZ at a significantly reduced computational cost. The polarisability anisotropy is shown to be more computationally demanding than the average polarisability, in particular with respect to the accuracy of the correlation method and an accurate evaluation of this property requires at least the CCSD model.