Ligand Control of Palladium-Catalyzed Site-Selective α- and γ-Arylation of α,β-Unsaturated Ketones with (Hetero)aryl Halides

This study describes the first palladium-catalyzed, site-selective α- and γ-arylation of α,β-unsaturated ketones with (hetero)aryl halides. A wide range of hetero(aryl)halides coupled with α,β-unsaturated ketones, and transformation into the arylated products proceeded with excellent to good yields. The site selectivity of the reaction is switchable by simply changing the phosphine ligand to access either α-arylated or γ-arylated products in good to excellent yields by using a low catalyst loading, and the method demonstrates good functional-group compatibility.     

Modelling,performance improvement and emission reduction of large two-stroke diesel engine using multi-zone combustion model

Journal of Thermal Analysis and Calorimetry - The main energy source in marine industry is fossil fuel. Diesel engines are main power supply in sea transport at present times and will also be in...     

Nonlinear mixing of oppositely travelling surface plasmons

A theoretical treatment of the nonlinear mixing of two contra-directional surface plasmons of frequency ω₁ and ω₂ propagating on a semi-infinite metal surface is presented. The nonlinear interaction is analysed in terms of (a) nonlinear surface currents due to the breaking of inversion symmetry and the rapid variation of the normal electric field component at the surface, and (b) the nonlinear response of the electron gas in the bulk of the metal. These currents are treated as source terms for Maxwell's equations and electromagnetic fields are found which satisfy the driven wave equation and boundary conditions at the frequencies ω₁ ± ω₂. At the difference frequency ω₁ ? ω₂ the solution fields decay exponentially into both the air and the metal. However, at the sum frequency ω₁ + ω₂, coupling to transverse electromagnetic waves in both the air and the metal is predicted under appropriate wavevector and frequency conditions. The free-space radiation field is treated in detail and the feasibility of its experimental detection is discussed. No coupling to longitudinal bulk plasmons is predicted in this model of the nonlinear interaction.     

Towards a characterization of generalized twisted field planes

In this work we study semifield planes of orderq ⁿ(q=p ^r ,p prime) with a collineation whose order is ap-primitive divisor ofq ⁿ–1.Research supported in part by NSF Grant No. DMS-9107372Research supported in part by NSF grants RII-9014056, component IV of the EPSCoR of Puerto Rico grant and ARO grant for Cornell MSI.     

Completeness theorem for propositional probabilistic models whose measures have only finite ranges

A propositional logic is defined which in addition to propositional language contains a list of probabilistic operators of the form P_s (with the intended meaning the probability is at least s). The axioms and rules syntactically determine that ranges of probabilities in the corresponding models are always finite. The completeness theorem is proved. It is shown that completeness cannot be generalized to arbitrary theories.This research was supported by Ministarstvo za nauku, tehnologije i razvoj Republike Srbije, through Matematiki institut, under grant 1379Mathematics Subject Classification (2000): 03C70, 03B48     

Further Results for kth order Kantorovich Modification of Linking Baskakov Type Operators

In this paper we consider a non-trivial link between Baskakov type operators and their genuine Durrmeyer type modification as well as the kth order Kantorovich variant. Recursion formulas for the moments and the images of monomials are proved in order to derive asymptotic expansions. Furthermore we investigate convexity properties of the linking operators and the limiting behavior for certain function spaces.     

The nonlinear optical properties of a magneto-exciton in a strained Ga0.2In0.sAs/GaAs quantum dot

The magnetic field-dependent heavy hole excitonic states in a strained Gao.2Ino.sAs/GaAs quantum dot are investi- gated by taking into account the anisotropy, non-parabolicity of the conduction band, and the geometrical confinement. The strained quantum dot is considered as a parabolic dot of InAs embedded in a GaAs barrier material. The dependence of the effective excitonic g-factor as a function of dot radius and the magnetic field strength is numerically measured. The interband optical transition energy as a function of geometrical confinement is computed in the presence of a mag- netic field. The magnetic field-dependent oscillator strength of interband transition under the geometrical confinement is studied. The exchange enhancements as a function of dot radius are observed for various magnetic field strengths in a strained Gao.2Ino.sAs/GaAs quantum dot. Heavy hole excitonic absorption spectra, the changes in refractive index, and the third-order susceptibility of third-order harmonic generation are investigated in the Gao.2Ino.8As/GaAs quantum dot. The result shows that the effect of magnetic field strength is more strongly dependent on the nonlinear optical property in a low-dimensional semiconductor system.     

Long Distance Electronic Effects on the Rotational Potential Barriers Around the Caromatic-Cethylenic Bond

A systematic study of the rotational activation free energy around the C_aromatic-C_ethylenic bond of para-substituted styrene systems is carried out in the present work from a quantum chemistry point of view.

Calculations of the rotational potential barriers in the AM1 approach are developed as function of the electron-donor groups localized on the aromatic ring. Based on these calculations and thermodynamical data, we predict changes in the activation free energy barriers due to the long distance electronic effects of the substituents in acetophenones, cinnamaldehydes and benzalketones according to the following equation:

Our results agree the experimental measurements registered up to date and the standard deviations are similar to experimental determinations.     

A variational principle for adaptive approximation of ordinary differential equations

Summary A variational principle, inspired by optimal control, yields a simple derivation of an error representation, global error=local errorweight, for general approximation of functions of solutions to ordinary differential equations. This error representation is then approximated by a sum of computable error indicators, to obtain a useful global error indicator for adaptive mesh refinements. A uniqueness formulation is provided for desirable error representations of adaptive algorithms. Mathematics Subject Classification (2000):65L70, 65G50This work has been supported by the EU–TMR project HCL # ERBFMRXCT960033, the EU–TMR grant # ERBFMRX-CT98-0234 (Viscosity Solutions and their Applications), the Swedish Science Foundation, UdelaR and UdeM in Uruguay, the Swedish Network for Applied Mathematics, the Parallel and Scientific Computing Institute (PSCI) and the Swedish National Board for Industrial and Technical Development (NUTEK).