Nitrogen heterocycles via palladium-catalyzed carbocyclization. Formal synthesis of (+)-alpha-allokainic acid

[reaction: see text] The Pd-catalyzed carbocyclization of ketoamides was investigated and found to be highly dependent on the phosphine ligand as well as the presence of coordinating counterions. Nitrogen heterocycles were formed without erosion of the stereochemical integrity. The utility of the lactam products was demonstrated by the formal synthesis of (+)-alpha-allokainic acid.     

Highly diastereoselective indium-mediated allylation of chiral hydrazones

The indium-mediated allylation of chiral hydrazones was investigated. Essentially complete diastereoselectivity and quantitative yields were obtained for substrates derived from both aromatic and aliphatic aldehydes. [reaction--see text]     

A free coordination hull approach to efficiency measurement

Superficially, the free disposal hull production possibility set (pps) can be regarded as a binary version of the Banker, Charnes and Cooper pps, in which only one component of the vector, λ, is non-zero and of necessity equal to 1. We therefore propose, by analogy with a pps due originally to Koopmans, a new pps which retains the binary characteristic of the components of λ but permits more than one component to be non-zero. Thus, a given DMU's performance is assessed not only against the individual DMUs included in the sample but also against composite DMUs obtained by simple aggregation. This approach is demonstrated and investigated on a published data set.     

Improved direct measurement of the parity-violation parameter Ab using a mass tag and momentum-weighted track charge

We present an improved direct measurement of the parity-violation parameter A(b) in the Z boson-b-quark coupling using a self-calibrating track-charge technique applied to a sample enriched in Z-->bb events via the topological reconstruction of the B hadron mass. Manipulation of the Stanford Linear Collider electron-beam polarization permits the measurement of A(b) to be made independently of other Z-pole coupling parameters. From the 1996-1998 sample of 400,000 hadronic Z decays, produced with an average beam polarization of 73.4%, we find A(b)=0.906+/-0.022(stat)+/-0.023(syst).     

Intense terahertz pulses by four-wave rectification in air

We describe a new four-wave rectification method for the generation of intense, ultrafast terahertz (THz) pulses from gases. The fundamental and second-harmonic output of an amplified Ti:sapphire laser is focused to a peak intensity of ~5x10(14)W/cm (2) . Under these conditions, peak THz fields estimated at 2 kV/cm have been observed; the measured power spectrum peaks near 2 THz. Phase-dependent measurements show that this is a coherent process and is sensitive to the relative phases of the fundamental and second-harmonic pulses. Comparable THz signals have been observed from nitrogen and argon as well as from air.     

On the relationship between mergers and economic activity: Evidence from an optimised hybrid method

A new approach is developed to examine potential causality between merger activity and industrial production. The proposed method combines an information criterion-based approach to lag optimisation with joint maximum likelihood estimation of an autoregressive distributed lag model and GARCH(1,1) specification. Application to UK data provides significant evidence in support of causality between merger activity and industrial production, a result which has been predicted theoretically in the literature but has not received empirical support in earlier research.     

Micromechanical models of young's modulus of NR/organoclay nanocomposites

Small strain Young's moduli of natural rubber (NR)/organoclay nanocomposites were estimated using the Guth–Gold, Halpin–Tsai (HT), and Krieger–Dougherty (KD) models, and compared with experimental measurements of NR vulcanizates containing organo‐montmorillonite (OM) or organo‐sepiolite (OS). To account for the effect on modulus of the NR matrix of the vulcanization‐active modifier in the organoclay, a matrix modulus correction (MMC) term was derived from the vulcanization parameters of the nanocomposites. The KD model gave a better empirical fit with the experimental data than the Guth–Gold model, with both giving good agreement with particle shape factors estimated from transmission electron microscope (TEM) images. The HT model gave the best fit with experiment for both types of nanocomposite, and use of the MMC term meant that the empirical shape factor was sufficiently close to that estimated from TEM images that the model could potentially be used to accurately predict the Young's moduli of NR/OM and NR/OS nanocomposites. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 49: 1621–1627, 2011     

Doubly-occupied orbital MCSCF methods

A new computational method for a previously suggested Multi-Configuration SCF molecular wave function is developed and applied to some simple molecules. The method involves the use of a single Fock-like hamiltonian matrix for all the MCSCF orbitals and does not involve orthogonality constraints or coupling operators. Application to lithium hydride shows that this method is capable of recovering a large part of the correlation energy and compares very favourably with conventional lengthy CI methods.