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This research focuses on obtaining the behavior of chemical compounds with respect to their molecular weight and optimization energy based on the variation in properties in organic carbon links. Here, behavioral analysis of compounds is used in the application of a metal organic framework to denote the high-grade compounds. The grade was selected based on the essential measure of optimization energy and molecular weight, and in turn, depicts the stability of material. Computation of the optimization energy and molecular weight of chemical compounds was performed with Avogadro software. Several force fields can be considered to compute optimized energy. Exclusively, three force fields, namely, the Universal Force Field (UFF), the General Amber Force Field (GAFF), and the Ghemical force field (Ghemical) were selected from Avogadro as these were more relevant to compounds considered in this research. The various chemical compounds examined in this work are Aluminum (Al), Boron (Br), Calcium (Ca), Chlorine (Cl), Indium (In), Potassium (K), Scandium (Sc), Silicon (Si), and Tungsten (W). Hence, molecular modeling of different compounds incorporated with three different force fields was evaluated in this work. In this study, we found that the In structure has more energy reduction, of 22.673 kJ mol−1 in UFF, when compared with the other two force fields. Thus, In has higher potential with more stability.

BACKGROUNDTraumatic brachial plexus injuries can cause total or partial loss of function of the upper limb. The loss of functional movements in the shoulder impairs the function of the entire upper limb even if there is functional movement in other joints like the elbow, wrist, and fingers. Various procedures like tendon transfers, neurotisation or arthrodesis are available to improve the function of the shoulder.The aim of this study is to evaluate the results of the trapezius transfer for reconstruction of shoulder motion in adult patients with longstanding traumatic brachial plexus injuries. MATERIALS AND METHODSThis study was done in a tertiary care institution and included 42 traumatic brachial plexus injury patients who underwent trapezius transfer for restoration of shoulder abduction and forward flexion during a period of eighteen months from August 2014 to July 2016. All patients underwent a modified Bateman, Saha method. Those who had inadequate or incomplete records and those who were not on regular follow-up were excluded from our study. The records of these patients were reviewed in March 2017 and the shoulder function and stability were re-evaluated clinically and results tabulated. RESULTSThe shoulder function was improved in 35 patients. The average gain in shoulder abduction was 40.68° (Range 0° to 90°) and the average gain in shoulder forward flexion was 35.36° (Range 10° to 75°). 92.86% of the patients had their inferior subluxation of the humerus corrected radiographically. The average gain in postoperative range of motion was similar to those achieved in other large series studies. CONCLUSIONThe transfer of trapezius is a simple procedure which can restore the abduction and forward flexion of shoulder in majority of the patients.

To study the clinical spectrum (etiology) of newborn presenting with lethargy, and early recognition of associated problems & the mortality pattern in baby presenting with lethargy in relation to birth-weight.