Springback is one of the most common and important issues in metal forming area. Due to the fact that springback depends on a variety of parameters, it is hard to predict. Hence, in this paper, the effect of continuum damage mechanics (CDM) on springback was investigated based on the Lemaitre isotropic unified damage law. Swift’s hardening law was employed to describe isotropic hardening behavi...

an efficient three-component reaction of dialkyl acetylendicarboxylates and 2-pyrrolidin in the presence of triphenylphosphine produces dialkyl 2-(2-pyrrolidin-n-yl)-3-(triphenylphosphanylidene)succinate. these phosphoranes undergo mild intramolecular wittig reaction to produce dialkyl (e)-2-(4,5-dihydro-3h-pyrrol-2-yl)fumarate in excellent yields.

Can the theoretical/computational chemist correctly predict the structures and free energies of molecular systems? It is an assumption of our research that classical molecular mechanics/dynamics is or can be made sufficiently accurate to accurately represent not only conformational (intramolecular) energetics but also nonbonded (both intramolecular and intermolecular) energetics. Even though th...

Removal of the C-terminal seven residues from phosphoglycerate mutase from Saccharomyces cerevisiae by limited proteolysis is associated with loss of mutase activity, but no change in phosphatase activity. The presence of the cofactor 2, 3-bisphosphoglycerate, or of the cofactor and substrate 3-phosphoglycerate together, confers protection against proteolysis. The substrate alone offers no prot...

The dynamic interplay between the intramolecular hydrogen bonding and intramolecular vibrational redistribution is found to be critical in nonadiabatic reaction dynamics. Herein, it has been demonstrated that the molecular planarity, directed by the intramolecular hydrogen bonding, plays an important role in the nonadiabatic passage of the reactive flux at the conical intersection in the photod...

(1)H NMR chemical shifts have been obtained in the solvents deuterochloroform and dimethyl sulfoxide. The difference in the chemical shifts of an OH or NH group in these two solvents, Δδ = δ(DMSO) - δ(CDCl3), can be converted into the hydrogen bond acidity, A, of the group using the equation A = 0.0065 + 0.133Δδ. The NMR A value, ANMR, can be used as a quantitative assessment of intramolecular ...