As molecular modeling and simulation techniques become increasingly important sources of thermophysical property and phase equilibrium data, the ability to assess the robustness of that data becomes more critical. Recently, the use of the compressibility factor (Z) has been suggested as a metric for testing the quality of simulation data for vapor− liquid equilibria (VLE). Here, we analyze predicted VLE data from the transferable potentials for phase equilibria (TraPPE) database and show that, apart from data entry or typographical errors, Z will always be well-behaved in Gibbs ensemble Monte Carlo (GEMC) simulations even when the simulations are not sufficiently equilibrated. However, this is not true for grand canonical Monte Carlo simulations. When the pressure is calculated from the internal forces, then pressure and density are strongly correlated for the vapor phase and, for GEMC simulations, it is recommended to treat Z as an instantaneous mechanical property. From analysis of the TraPPE VLE data, we propose a complementary metric based on the predicted vapor pressures at three neighboring temperatures and their deviation from a local Clausius−Clapeyron fit.

<p><strong>INTRODUCTION: </strong>The present study was aimed to determine the prevalence and risk factors of GSD among a sample of general population in Karachi, South Pakistan.</p><p><strong>METHODOLOGY: </strong>A multistage random sampling method was employed on 30 clusters, where 60 subjects of age&gt;=25 years were randomly recruited from the study population from June 2013 till March 2015. Finally, data was analyzed and logistic regression models were used to find the correlation between selected variables and gallstone disease.</p><p><strong>RESULTS: </strong>It was found that 184 patients had echogenic mass with shadowing on ultrasonography; yielding a prevalence of 10.2% for gallstones in the study participants. The occurrence was higher in females (14.8%) than in male participants (5.7%). Further, participants over 40 years of age and single, widow/separated subjects had higher incidence of gallstones than married individuals. Moreover, an indirect correlation was obtained with daily physical activity, consumption of fruits, vegetables and fish with development of GD.</p><p><strong>CONCLUSION: </strong>It can be evaluated that daily physical activity, female gender, increasing age and marital status play an important role in progression of GSD. Understanding pathogenesis and physiological mechanism involved in GSD can help to determine therapeutic options other than surgical treatment.</p>

Let G = (V(G), E(G)) be a connected graph and d(f, y) denotes the distance between edge f and vertex y, which is defined as). An edge metric generator with minimum number of vertices is called an edge metric basis for graph G and the cardinality of an edge metric basis is called the edge metric dimension represented by edim(G). In this paper, we study the edge metric dimension of flower graph f n×3 and also calculate the edge metric dimension of the prism related graphs D n and D t n . It has been concluded that the edge metric dimension of D n is bounded, while of f n×3 and D t n is unbounded.

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