Crystal structure of a daturalactone – A withanolide

The crystal structure of a daturalactone derivative has been determined by X-ray structural analysis. The compound crystallizes in orthorhomic space group P2₁2₁2₁ with cell parameters a - 15.141(1) Å, b - 18.425(1) Å, c - 19.251(2) Å. The structure was solved by direct methods and refined to R - 0.082. The asymmetric unit contains two non-equivalent molecules. Extensive hydrogen bonding is present. The conformations of the rings are A: a distorted half-chair, B: a perfect half-chair, C: a chair, D: an envelope-half chair and E: a twist boat. Ring junctions A/B, B/C, C/D are all trans fused. Methyl carbons C(18), C(19), C(27) and the lactone moiety is β-oriented whereas the methyl carbons C(21) and C(28) are α-oriented.     

Fracture analysis of wheel hub fabricated from pressure die cast aluminum alloy

A catastrophic failure of wheel hub occurred during service. The nature of failure was a corner crack emanating from a spoke hole. An analytical investigation was carried out using the tool of Linear Elastic Fracture Mechanics to establish the cause of failure. The nonlinear behaviour is due to the presence of material inhomogeneities and micro-discontinuities. Plastic zone correction is made. The presence of material inhomogeneities and micro-discontinuities tend to alter the conditions near the crack tip. An analytical estimation was carried out in order to calculate the minimum number of cycles covered by the wheel hub in service.The initiation of crack growth is complex because of heterogeneity and morphology of the fracture surface. Fractographic and metallographic studies are carried out to assist the understanding of the corner cracking problem.     

Steady State of Stochastic Sandpile Models

We study the steady state of the Abelian sandpile models with stochastic toppling rules. The particle addition operators commute with each other, but in general these operators need not be diagonalizable. We use their Abelian algebra to determine their eigenvalues, and the Jordan block structure. These are then used to determine the probability of different configurations in the steady state. We illustrate this procedure by explicitly determining the numerically exact steady state for a one dimensional example, for systems of size ≤12, and also study the density profile in the steady state.     

Triple minima in the free energy of semiflexible polymers

We study the free energy of the worm-like-chain model, in the constant-extension ensemble, as a function of the stiffness lambda for finite chains of length L. We find that the polymer properties obtained in this ensemble are qualitatively different from those obtained using constant-force ensembles. In particular, we find that as we change the stiffness parameter, t=L/lambda, the polymer makes a transition from the flexible to the rigid phase and there is an intermediate regime of parameter values where the free energy has three minima and both phases are stable. This leads to interesting features in the force-extension curves.     

Absolute configuration of crotsparine,crotsparinine and sparsiflorine

Absolute configurations of crotsparine, crotsparinine and sparsiflorine have been determined.     

Bromodimethylsulfonium bromide (BDMS): a useful reagent for conversion of aldoximes and primary amides to nitriles

An operationally simple and high yielding procedure has been developed for the preparation of nitriles from aldoximes and primary amides using bromodimethylsulfonium bromide (BDMS) as a novel and efficient reagent in the absence of any added base or catalyst. The optimal protocol is applicable to access a wide range of cyano compounds including aromatic, heterocyclic, and aliphatic species. The conversion of aldoximes to nitriles takes place at room temperature in acetonitrile, whereas acetonitrile at reflux temperature is required for rapid conversion in the case of primary amides.     

Studien über Adsorption. VI

Ohne Zusammenfassung Deutsch von K. Popp (Leipzig).     

Nachweis und Bestimmung des Mangans sowie seine Trennung von anderen Elementen

Ohne Zusammenfassung