On the computation of stress intensities at fixed-free corners

A path independent integral formula is developed for the computation of the intensity of the stress singularity at a right corner where one edge is rigidly fixed and the other is free of traction. Numerical results are presented for the case of a strip compressed between rough rigid stamps and compared with previously published results for finite and semi-infinite strips and cylinders.     

High-performance liquid chromatographic method for the simultaneous estimation of the key intermediates of duloxetine

A simple reversed-phase high-performance liquid chromatographic method employing C-18 column has been developed for simultaneous analysis of three intermediates in the synthesis of S-duloxetine, the antidepressant drug, viz., 2-acetyl thiophene (AT), N,N-dimethyl-3-keto-(2-thienyl)-propanamine (DKTP) and (S)-N,N-dimethyl-3-hydroxy-(2-thienyl)-propanamine (DHTP). Good separations were achieved by employing an isocratic system using acetonitrile and 0.05 M phosphate buffer (pH 7.0) containing 0.02% diethylamine. The detection was carried out at 241 nm. The method was validated for linearity, range, accuracy and precision. The developed method was applied for monitoring the progress of chemical synthesis of DKTP from AT followed by the biocatalytic reduction of DKTP to DHTP as the disappearance of the substrate and formation of the product can be monitored simultaneously by the present method.     

Effect of metal cationization on the tandem mass spectra of glycosyl dithioacetals

The effect of metal cationization on the tandem mass spectra of glycosyl dithioacetals of glucose, mannose, galactose, rhamnose, arabinose and xylose was studied by electrospray ionization mass spectrometry under ammonium and metal (Li, Na, Ag and Cu) ion cationization conditions. The ammonium-cationized glycosyl dithioacetals fragment by loss of ammonia followed by either two molecules of EtSH or one molecule of EtSH and one molecule of H2O. Lithium cationization leads to additional eliminations such as EtSEt and EtSSEt and C-C cleavages. Elimination of EtSH is not observed under sodium cationization. Silver cationization, on the other hand, leads to additional fragmentations involving the elimination of silver as AgOH and AgSEt. Copper cationization results in adducts where copper has undergone a change of oxidation state from II to I. Li+, Ag+ and Cu+ cationization seem to favour cyclization resulting in elimination of EtSH. However, the mechanisms seem to be differently affected by different metal ions. Li+ and Ag+ cationization appear to be non-specific and favour cyclization involving C2-, C4- and C5-hydroxyl hydrogens, whereas Cu+ cationization seems to favour cyclization involving C4-hydroxyl hydrogen.     

Uniqueness of the standard model neutral current predictions

In view of an excellent agreement between the recently determinedv _μ-hadron couplings and predictions of the standard model, the basic question discussed is how far its neutral current predictions can be mimiced in going either from the isodoublet to an isotriplet (or an even higher isospin) left-handed representation or from SU _L (2) × U(1) toG × U(1), whereG is a simple group of rank two. This question is addressed with reference to a sufficiently broad class of schemes. Their most distinctive properties are: in the higher isospin scheme, neutrino couplings are precisely in the form obtainable with standard l.h. representation; the higher g.g. scheme isL+R type in which, to each light fermion of evenRU parity, a superheavy fermion of the same charge and oddRU parity is associated, parity conservation forbidding their mixing. Reasons for excluding theL-type andG ₂ higher g.g. schemes are given. Their neutral current predictions are compared with those of the standard model. A higher isospin representation can mimic the predictions of the standard model in inclusive and semi-inclusivev _μ-hadron reactions but is conclusively discriminated from the isodoublet representation by elasticv _μ ⁽⁻ p scattering. TheG × U(1) scheme can mimic standard model neutrino sector but is conclusively discriminated from minimal scheme by parity violating effects.     

Preparation and characterization of some stereochemically rigid seven-coordinate η-cyclopentadienyltris(N,N-dialkyldithiocarbamato)hafnium(IV) complexes

Summary N,N-Dialkyldithiocarbametohafnium(IV) complexes of the type -CpHf(S₂CNR₂)₃, (R = Me or Et) have been prepared in nonaqueous media by reacting dichlorodicyclopentadienylhafnium(IV) with sodium salts of substituted dithiocarbamic acids. Conductance and i.r. studies show that these complexes are nonelectrolytes in which all of the dithiocarbamate ligands are bidentate. A coordination number of seven may be assigned to hafnium(IV) in these complexes, 'H n.m.r. spectra of the complexes in CDCI₃ at ambient temperature (30°) indicate that the metal centered rearrangement and the S₂C N bond rotation are both slow on the n.m.r. time scale. A capped octahedron configuration is suggested for these complexes.Author to whore all correspondence should be addressed.     

Parallel analysis of v-Src mutant protein function using reverse transfection cell arrays

The conversion of the genomic information produced by the recent sequencing projects into a comprehensive understanding of the human proteome has yet to occur. A new technology that represents a potential bridge between genomics and proteomics is reverse transfection. Reverse transfection cell microarrays are produced by overlaying cDNA arrays with mammalian cells, generating localized clusters of transfected cells with each cluster overexpressing a unique protein. This miniaturized cell-based microarray format affords parallel functional analysis of thousands of cDNA constructs in a high throughput format. In this report we document the development of a co-transfection methodology for reverse transfection applications. The demonstrated high co-transfection efficiency with a "marker" plasmid encoding for GFP enables the identification of transfected cells and eliminates the need for epitope-tagged constructs in cell-based high throughput screening applications using reverse transfection. This co-transfection method was used to study in parallel the structure/function of multiple versions of the v-Src protein using automated fluorescence microscopy. The wild-type v-Src protein and four mutants having insertions or deletions in the SH2 or SH3 domains displayed high levels of tyrosine kinase activity in HEK293T cells. Three other mutated v-Src proteins, including a kinase-dead version, were shown to be defective for tyrosine kinase activity. This reverse co-transfection approach is applicable for high throughput screening of both cDNA libraries and positional scanning recombinant protein libraries.     

η and η' mesons from lattice QCD

The large mass of the ninth pseudoscalar meson, the η', is believed to arise from the combined effects of the axial anomaly and the gauge field topology present in QCD. We report a realistic, 2+1-flavor, lattice QCD calculation of the η and η' masses and mixing which confirms this picture. The physical eigenstates show small octet-singlet mixing with a mixing angle of θ=-14.1(2.8)°. Extrapolation to the physical light quark mass gives, with statistical errors only, mη=573(6) MeV and mη'=947(142) MeV, consistent with the experimental values of 548 and 958 MeV.     

Computational studies on the thermal decomposition of the CH2FOCHFO radical

Theoretical studies have been carried out on the kinetics and thermochemistry of the thermal decomposition of the CH₂FOCHFO radical formed during the photo-oxidation of CH₂FOCH₂F (HFE-152E) using the dual-level method of obtaining the optimised structure at DFT(M06-2X)/6-311++G(d,p) followed by a single-point energy calculation at the G3 level of theory. The rate constant for different reaction channels involved during the decomposition processes of CH₂FOCHFO is evaluated at 298 K and 1 atm using canonical transition-state theory. The results point out that the C–H bond scission is the dominant path involving an energy barrier of 9.5 kcal mol^?1 determined at the G3 level of theory. A potential energy diagram is constructed and the results are compared with the data available from the literature for a structurally similar molecule.     

Swift heavy ion irradiation-induced modifications in structural and electrical properties of Y3+-substituted yttrium iron garnet

The consequences of 50 MeV Li³⁺ ion irradiation (fluence: 5×10¹³ ions/cm²) on the structural and electrical properties of the Y_3+xFe_5?xO₁₂ (x=0.0, 0.2, 0.4 and 0.6) garnet system have been investigated over the temperature range of 300–673 K. It is found that the percentage formation of an additional yttrium orthoferrite phase observed along with the bcc garnet phase considerably reduces for x=0.4 and 0.6 compositions after swift heavy ion (SHI) irradiation. The nature of thermal variation of DC resistivity curves for x=0.0 and 0.2 compositions is different from that for x=0.4 and 0.6 compositions. The SHI irradiation influences the magnitude of DC resistivity and conduction mechanism for the single-phase compositions while for mixed-phase compositions they remain unaffected. The results have been explained in the light of replacement of magnetic (5μ_B), smaller (0.64 Å), Fe³⁺ ion by nonmagnetic (0μ_B), larger (0.89 Å), Y³⁺ ion, the presence of the yttrium orthoferrite phase and swift heavy ion irradiation-induced paramagnetic centers in the system.     

Higher-order cone-pseudoconvex, quasiconvex and other related functions in vector optimization

Recently Bhatia (Optim. Lett. doi:10.1007/s11590-010-0248-0, 2010) introduced higher-order cone-convex functions and used them to obtain higher-order sufficient optimality conditions and duality results for a vector optimization problem over cones. The concepts of higher-order (strongly) cone-pseudoconvex and cone-quasiconvex functions were also defined by Bhatia (Optim. Lett. doi:10.1007/s11590-010-0248-0, 2010). In this paper we introduce the notions of higher-order naturally cone-pseudoconvex, strictly cone-pseudoconvex and weakly cone-quasiconvex functions and study various interrelations between the above mentioned functions. Higher-order sufficient optimality conditions have been established by using these functions. Generalized Mond–Weir type higher-order dual is formulated and various duality results have been established under the conditions of higher-order strongly cone-pseudoconvexity and higher-order cone quasiconvexity.