CaL-B a highly selective biocatalyst for the kinetic resolution of furylbenzthiazole-2-yl-ethanols and acetates

A highly stereoselective enzymatic kinetic resolution of novel various substituted racemic furylbenzthiazole-2-yl-ethanols and their acetates has been developed. Both processes, the enzymatic acylation of the racemic alcohols and the enzymatic methanolysis of racemic acetates yielded highly enantiomerically enriched (ee >98%) resolution product, when CaL-B was used as a biocatalyst in acetonitrile. The absolute configuration of the obtained (R)-(+)-1-(5-(4-chlorobenzo[d]thiazol-2-yl)furan-2-yl)ethanol was determined by a detailed ¹H NMR study of rac- and (+)-1-(5-(4-chlorobenzo[d]thiazol-2-yl)furan-2-yl)ethanol Mosher derivatives.     

Mössbauer study of LaNiSn and NdNiSn compounds and their deuterides

Summary LaNiSn and NdNiSn compounds and their deuterides have been studied by variable temperature ¹¹⁹Sn M?ssbauer spectroscopy. The hyperfine parameters obtained experimentally are in good agreement with those derived from first principle calculations. The enlargement of quadrupole splitting observed for LaNiSn after deuteration confirms the lower symmetry of electron density around tin atoms indicated by the calculation of partial Sn-p density of states (DOS). Magnetic ordering is observed at low temperature in deuterided NdNiSn.     

Green Tea Versus Traditional Korean Teas: Antibacterial/Antifungal or Both?

The feasibility of utilizing the antimicrobial activity of naturally available teas was studied. Eleven teas including 2 green teas and 9 other traditional Korean mixed teas were tested for their antimicrobial properties. Antibacterial and antifungal properties were assessed. The results showed that green teas possessed significant antifungal and antibacterial properties, while most of the mixed teas showed some amount of antifungal activity and almost insignificant antibacterial properties. Confocal microscopic imaging revealed mycelial damage as well as attack on sporophores rather than spores/spore germination to be the reason behind the antifungal activity. EGCG was identified as the crucial catechin for antimicrobial activity. The study confirmed that green tea had a clear edge over the traditional mixed teas when it comes to antimicrobial activity.     

The Development of a Sheathless Interface for Capillary Electrophoresis Electrospray Ionization Mass Spectrometry Using a Cellulose Acetate Cast Capillary

The fabrication of a novel sheathless interface for capillary electrophoresis–electrospray–mass spectrometry (CE–ESI–MS) is described. A programmable CO₂ laser was used to ablate small channels in the walls of a polyimide capillary near the terminus. Subsequent exposure of the channel region to a cellulose acetate solution followed by drying resulted in the formation of an electrically conductive semi-permeable membrane. Application of an appropriate voltage to the reservoir resulted in the simultaneous establishment of an electrical connection for CE and ESI. Interface viability was demonstrated by conducting a CE separation of a peptide mixture, with detection accomplished via positive ion mode ESI–MS. For the peptide Val-Tyr-Val, a limit of detection of 0.1 femtomole (S/N 3) was achieved using single reaction monitoring. Attributes of the interface include structural robustness, ease of fabrication, minimal interface dead volume, and the ability to alter post-separation analyte ionization status by use of appropriate buffers in the interface reservoir.     

Proton affinities of molecules containing nitrogen and oxygen: comparing ab initio and semiempirical results to experiments

We report a comparison of theoretical and experimental proton affinities at nitrogen and oxygen sites within a series of small molecules. The calculated proton affinities are determined using the semiempirical methods AM 1, MNDO , and PM 3; the ab initio Hartree–Fock method at the following basis levels: 3-21G //3-21G , 3-21+G //3-21G , 6-31G *//6-31G *, and 6-31+G (d, p)//6-31G *; and Møller–Plesset perturbation calculations: MP 2/6-31G *//6-31G *, MP 3/6-31G *//6-31G *, MP 2/6-31G +(d, p)//6-31G *, MP 3/6-31G +(d, p)//6-31G *, and MP 4(SDTQ )/6-31G +G (d, p)//6-31G *. The semiempirical methods have more nonsystematic scatter from the experimental values, compared to even the minimal 3-21G level ab initio calculations. The thermodynamically corrected 6-31G *//6-31G * proton affinities provide acceptable results compared to experiment, and we see no significant improvement over 6-31G *//6-31G * in the proton affinities with any of the higher-level calculations. © 1992 John Wiley & Sons, Inc.     

Interquantile Shrinkage in Regression Models

Conventional analysis using quantile regression typically focuses on fitting the regression model at different quantiles separately. However, in situations where the quantile coefficients share some common feature, joint modeling of multiple quantiles to accommodate the commonality often leads to more efficient estimation. One example of common features is that a predictor may have a constant effect over one region of quantile levels but varying effects in other regions. To automatically perform estimation and detection of the interquantile commonality, we develop two penalization methods. When the quantile slope coefficients indeed do not change across quantile levels, the proposed methods will shrink the slopes toward constant and thus improve the estimation efficiency. We establish the oracle properties of the two proposed penalization methods. Through numerical investigations, we demonstrate that the proposed methods lead to estimations with competitive or higher efficiency than the standard quantile regression estimation in finite samples. Supplementary materials for the article are available online.     

The AR-property for Roberts' example of a compact convex set with no extreme points Part 2: Application to the example

In this second part of our paper, we apply the result of Part 1 to show that the compact convex set with no extreme points, constructed by Roberts (1977), is an AR.

     

Derived Azumaya algebras and generators for twisted derived categories

We introduce a notion of derived Azumaya algebras over ring and schemes generalizing the notion of Azumaya algebras of Grothendieck (Le groupe de Brauer. I. Algèbres d’Azumaya et interprétations diverses. Dix Exposés sur la Cohomologie des Schémas, pp. 46–66, North-Holland, Amsterdam, 1968). We prove that any such algebra B on a scheme X provides a class ϕ(B) in . We prove that for X a quasi-compact and quasi-separated scheme ϕ defines a bijective correspondence, and in particular that any class in , torsion or not, can be represented by a derived Azumaya algebra on X. Our result is a consequence of a more general theorem about the existence of compact generators in twisted derived categories, with coefficients in any local system of reasonable dg-categories, generalizing the well known existence of compact generators in derived categories of quasi-coherent sheaves of Bondal and Van Den Bergh (Mosc. Math. J. 3(1):1–36, 2003). A huge part of this paper concerns the treatment of twisted derived categories, as well as the proof that the existence of compact generator locally for the fppf topology implies the existence of a global compact generator. We present explicit examples of derived Azumaya algebras that are not represented by classical Azumaya algebras, as well as applications of our main result to the localization for twisted algebraic K-theory and to the stability of saturated dg-categories by direct push-forwards along smooth and proper maps.