Efficient microwave induced direct α-halogenation of carbonyl compounds

A novel and direct method for the synthesis of α-halocarbonyl compounds using sequential treatment of carbonyl compounds with [hydroxy(tosyloxy)iodo]benzene followed by magnesium halides under solvent-free microwave irradiation conditions is described.     

Three types of maximally entangled states for a two-particle system

Foratwo-particle(spin1/2)systemthespinstateisdescribedusingavectorinafour-dimensionalHilbertspace.Inangularmomentumcouplingtheory[1],theangularmomentumuncouplingandcouplingrepresentationsareusuallyadopted.WhilethesimultaneouseigenstatesoftheCSCO(s1z,s2z),12,12,12and12,arechosenasthebasisofangularmomentumuncouplingscheme,thesimultaneouseigenstatesoftheCSCO(2,zSS),,SM(12=+Sss),arechosenasthebasisofangularmomentumcouplingscheme,1212100,2轾=-臌1212110,2轾=+臌121211,1,1.=-=Thefo…     

A convenient strategy of dimerization by microwave heating and using 2,5-diketopiperazine as scaffold

A novel and convenient microwave-assisted dimerization of an active peptide compound using the DKPs as scaffold is described. The key reaction giving rise to the diketopiperazine scaffold is the intermolecular coupling. No epimerization was detected in the reactions used. Conventional and microwave heating of the reactions are compared. Synthesis by microwave irradiation gave the desired compounds in higher yields and in shorter reaction times than those obtained by conventional heating.     

Virtual logarithms

The modification of the number field sieve which Joux and Lercier recently used to compute logarithms in a prime field of a record 120 decimal digits makes use of the notion of a virtual logarithm of a prime ideal in a number ring. We provide necessary and sufficient conditions for their method to succeed and give an explicit formula for the virtual logarithm of an ideal.     

相对论平均场理论中各种有效相互作用对中子星性质的影响

基于相对论平均场理论，研究了各种相互作用参数组(NL1、NL3、NLSH、TM1和GL-97)对中子星物质的性质和中子星整体结构的影响．发现参数组NL1、NL3和NLSH所给出的中子星内部的介子场强度、物质的组成比例、物态方程和中子星的整体特点基本相同，但与TM1和GL-97之间有较大的差别．相对于其他参数组，GL-97给出的介子场强度最弱，中子星的相对数密度最大，物态方程也最软，同时采用GL-97参数组计算的中子星的最大质量也最小．     

Transport of Neutrally Buoyant and Dense Variably Sized Colloids in a Two-Dimensional Fracture with Anisotropic Aperture

The transport of monodisperse as well as polydisperse colloid suspensions in a two-dimensional, water saturated fracture with spatially variable and anisotropic aperture is investigated with a particle tracking model. Both neutrally buoyant and dense colloid suspensions are considered. Although flow and transport in fractured subsurface formations have been studied extensively by numerous investigators, the transport of dense, polydisperse colloid suspensions in a fracture with spatially variable and anisotropic aperture has not been previously explored. Simulated snapshots and breakthrough curves of ensemble averages of several realizations of a log-normally distributed aperture field show that polydisperse colloids exhibit greater spreading than monodisperse colloids, and dense colloids show greater retardation than neutrally buoyant colloids. Moreover, it is demonstrated that aperture anisotropy oriented along the flow direction substantially increases colloid spreading; whereas, aperture anisotropy oriented transverse to the flow direction retards colloid movement.     

Neutrino propagation in a weakly magnetized medium

Neutrino-photon processes, forbidden in vacuum, can take place in the presence of a thermal medium and/or an external electro-magnetic field, mediated by the corresponding charged leptons (real or virtual). Such interactions affect the propagation of neutrinos through a magnetized plasma. We investigate the neutrino-photon absorptive processes, at the one-loop level, for massless neutrinos in a weakly magnetized plasma. We find that there is no correction to the absorptive part of the axial-vector-vector amplitude due to the presence of a magnetic field, to the linear order in the field strength.     

On computation of the greatest common divisor of several polynomials over a finite field

We propose a probabilistic algorithm to reduce computing the greatest common divisor of m polynomials over a finite field (which requires computing m−1 pairwise greatest common divisors) to computing the greatest common divisor of two polynomials over the same field.     

The spectrum of Nd in rare earth orthoaluminates. The trigonal to orthorhombic transition study of the level

Some structural and spectroscopic features of rare earth orthoaluminates are examined.The trigonal→ orthorhombic transition is studied in a series of Nd_xSm_1−xAlO₃ compounds. The evolution of the crystal structure is followed by X-ray analysis and optical absorption. The free ion and crystal field parameters of Nd³⁺ (4f³ configuration) are determined in LuAlO₃:Nd³⁺.The anomaly of the calculated splitting of the levels is slight, but well characterized in NdAlO₃. The spin correlated crystal field and orbitally correlated crystal field models are tested as well as an empirical correction which was proposed earlier.     

Calculation of Normal Vibrations of Chlorin by the Method of Density Functionals

Using the DFT/B3LYP method with a 6-31G(d) basis set, the structure, normal vibration frequencies, and the absolute band intensities in the IR spectra of the chlorin molecule and its four symmetric isotopomers have been calculated. Scaling of the force field by the Pulay method in independent and natural coordinates has been carried out. A method for obtaining effective force fields without using experimental data on the fundamental vibration frequencies is proposed. By comparing the vibration modes and constructing special matrices, complete assignment of the fundamental frequencies of porphin and chlorin has been carried out. It has been shown that the majority of porphin macroring vibrations upon pyrrolenine ring hydrogenation are frequency-characteristic and only 12 vibrations change considerably. A frequency correlation with regard for the mode transition between chlorin and all its isotopomers under consideration has been established. Comparative analysis of the force fields of porphin and chlorin in dependent natural coordinates has revealed the unique nonlocal character of the change in force constants of the macroring upon hydrogenation of one pyrrolenine ring. Modeling of the IR spectra of chlorin and its isotopomers has been performed. Assignment and interpretation of the normal vibrations of the molecules under consideration have been carried out.