We present a simple method for utilizing experimental data to improve the efficiency of numerical calculations of free energy profiles from molecular dynamics simulations. The method involves umbrella sampling simulations with restraining potentials based on a known approximate estimate of the free energy profile derived solely from experimental data. The use of the experimental data results in...

OBJECTIVES The starting hypothesis was that some perimembranous ventricular septal defects can be closed safely and effectively with a Bard Rashkind double umbrella introduced through a long transvenous sheath. DESIGN A descriptive study of all patients who underwent attempted transcatheter umbrella closure of a perimembranous ventricular septal defect. Those patients selected for the study h...

Aorto-pulmonary window (aorto-pulmonary septal defect) is an uncommon congenital cardiac malformation which is repaired using cardiopulmonary bypass. A case is described of an infant with a small aorto-pulmonary window which was closed by transcatheter insertion of a double umbrella device. Complete occlusion of the defect was achieved without complications. Transcatheter umbrella closure of a ...

We present a method to analyze biased molecular-dynamics and Monte Carlo simulations, also known as umbrella sampling. In the limiting case of a strong bias, this method is equivalent to thermodynamic integration. It employs only quantities with easily controllable equilibration and greatly reduces the statistical errors compared to the standard weighted histogram analysis method. We show the s...

Umbrella stoichiometries are relatively unstable compositions that can be leveraged to promote the formation of unconventional solid III II VI V V state structures. La and Cu in a one to one ratio is such a stoichiometry. The addition of a third metal such as Mo , V , or Ru generates a complex set of potential products. Nonetheless, La Cu MoO forms a single phase because no low energy multiphas...

The terminally differentiated umbrella cells of bladder epithelium contain unique cytoplasmic organelles, the fusiform vesicles, which deliver preassembled crystalline arrays of uroplakin proteins to the apical cell surface of urothelial umbrella cells. We have investigated the possible role of Rab proteins in this delivery process, and found Rab27b to be expressed at an extraordinary high leve...

OBJECTIVE To show possible alternative uses of the Rashkind ductal umbrella. DESIGN Descriptive study of selected, non-randomised patients; with specific congenital heart lesions other than an arterial duct. SETTING A tertiary referral centre. PATIENTS Nine patients with congenital heart lesions; four with interatrial communications after a fenestrated Fontan procedure two with large aort...

The discoidal/fusiform vesicles (DFV) of bladder umbrella cells undergo regulated exocytosis in response to stretch, but little is known about their biogenesis or the molecular machinery that modulates this process. We observed that Rab11a was expressed in umbrella cells (but not Rab11b or Rab25) and was associated with DFV. Using adenovirus-mediated delivery we transduced umbrella cells in sit...

Abstract: A fundamental problem encountered in statistics is that of testing the equality of scale parameters against umbrella alternative with at least one strict inequality. In this article, a nonparametric test based on U-statistic by considering the subsample minima and maxima for several sample scale problem against umbrella alternative, when peak of the umbrella is known, is proposed. The...