Remarkably mild and efficient catalytic Sakurai reaction of N-alkoxycarbonylamino sulfones with allyltrimethylsilane using indium(III) chloride

The Sakurai reaction of N-alkoxycarbonylamino sulfones with allyltrimethylsilane in the presence of a catalytic amount of indium(III) chloride at room temperature produces the corresponding protected homoallylic amines in high yields.     

Simple and Advantageneous Stereoselective Synthesis of (Z)-Allyl Phosphonates Starting from Baylis–Hillman Adducts

Baylis–Hillman adducts 3-hydroxyl-2-methylene alkanoates have been converted in one pot into the corresponding (Z)-allyl phosphonates by treatment with FeCl₃ and trialkyl phosphites in toluene under reflux. The products are formed in excellent yields (88–98%) within 1–1.5 h. The process is highly convenient and efficient, cost-effective, and remarkably stereoselective.     

Efficient Bromination of Alkenes and Alkynes Using Potassium Bromide and Diacetoxy Iodobenzene

Bromination of alkenes and alkynes has efficiently been carried out at room temperature in short reaction times using KBr and diacetoxy iodobenzene in CH₂Cl₂-H₂O (1:1) to prepare the corresponding trans-dibromo compounds in excellent yields.     

Prediction of thermodynamic and surface properties of Pb−Hg liquid alloys at different temperatures

The thermodynamic properties, such as free energy of mixing, heat of mixing, activity and structural properties, such as concentration fluctuation in long wavelength limit, short-range order parameter of Pb–Hg liquid alloy at 600 K have been calculated using theoretical modelling. It has then been correlated with modified Butler model to compute the surface tension of the alloys at different temperatures. The Pb–Hg system at 600 K is found to be ordering at higher concentration of Pb.     

A parametric study on fluid-structure interaction problems

This paper deals with finite element analysis of the fluid-structure systems considering the coupled effect of elastic structure and fluid. The equations of motion of the fluid considered inviscid and compressible are expressed in terms of the pressure variable alone. The elastic structure and the fluid domain are treated as two separate systems and discretized with finite elements. The solution of the coupled system is accomplished by solving the two systems separately with the interaction effects at the fluid-solid interface enforced by a developed iterative scheme. Non-divergent pressure and displacement are obtained simultaneously through a few numbers of iterations. Studies show the accuracy of the proposed algorithm, while comparing with the existing ones available in the literature. The parametric study of the coupled system shows the importance of fluid height and material property of the structure.     

Participation of C-H Protons in the Dissociation of a Proton Deficient Dipeptide

The dissociation of anionic dipeptides Phe*Gly and GlyPhe*, where Phe* refers to sulfonated phenyl alanine, has been investigated by using ion trap mass spectrometry. The dipeptides undergo collision-induced dissociation (CID) to give the same products, indicating that they rearrange to a common structure before dissociation. The rearrangement does not occur with the dipeptide methyl esters. The structures of the b₂ ions were investigated to determine the effect that having a remote, anionic site has on product formation. Comparison with the CID spectra for authentic structures shows that the b₂ ion obtained from GlyPhe* has predominantly a diketopiperazine structure. The CID spectra for the Phe*Gly b₂ ion and the authentic oxazolone are similar, but differences in intensity suggest a two-component mixture. Isotopic labeling studies are consistent with the formation of two products, with one resulting from loss of a non-mobile proton on the Gly α-carbon. The results are attributed to the formation of an oxazole and oxazolone enol product. Electronic structure calculations predict that the enol structure of the Phe*Gly b₂ ion is lower in energy than the keto version due to intramolecular hydrogen bonding with the sulfonate group.

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Superhalogen properties of CumCln clusters: theory and experiment

Using a combination of density functional theory and anion photoelectron spectroscopy experiment, we have studied the structure and electronic properties of CuCl(n)(-) (n = 1-5) and Cu(2)Cl(n)(-) (n = 2-5) clusters. Prominent peaks in the mass spectrum of these clusters occurring at n = 2, 3, and 4 in CuCl(n)(-) and at n = 3, 4, and 5 in Cu(2)Cl(n)(-) are shown to be associated with the large electron affinities of their neutral clusters that far exceed the value of Cl. While CuCl(n) (n ≥ 2) clusters are conventional superhalogens with a metal atom at the core surrounded by halogen atoms, Cu(2)Cl(n) (n ≥ 3) clusters are also superhalogens but with (CuCl)(2) forming the core. The good agreement between our calculated and measured electron affinities and vertical detachment energies confirm not only the calculated geometries of these superhalogens but also our interpretation of their electronic structure and relative stability.     

A novel far-boundary condition for the finite element analysis of infinite reservoir

The present paper deals with the finite element analysis of the reservoir of infinite extent using a novel far-boundary condition. The equations of motion are expressed in terms of the pressure only assuming water as inviscid and incompressible. The truncation boundary condition is developed numerically from the classical wave equation. Comparative studies show that the proposed far-boundary condition is numerically efficient and accurate over the existing ones, available in the literature. The effect of the geometry of the reservoir bed and the adjacent structure on the development hydrodynamic pressure has been studied. The results show that the geometry of the reservoir bed and as well as the adjacent structure has considerable effect on the development of hydrodynamic pressure at the dam–reservoir interface.