Spectral and Mechanistic Investigation of Oxidation of Rizatriptan by Silver Third Periodate Complex in Aqueous Alkaline Medium

The oxidation of Rizatriptan by diperiodatoargentate(III) has been studied by spectrophotometry at neutral pH. The kinetics of the reaction of Rizatriptan has been shown to principle of non-complementary oxidation steps. The initial step involves the deprotonated of the diperiodatoargentate(III) with the alkali; this rearranges during the displacement of a ligand to give free periodate and takes up another ligand monoperiodateargentate(III), combines with a substrate to endow with an intermediate complex which decomposes within a slow step to provide the final product in the following step with a first-order rate constant. The main product was identified by spot test, Fourier- transform infrared spectroscopy, Nuclear magnetic resonance and Liquid chromatography-mass spectrometry spectrum. A conceivable mechanism including pre equilibrium of adducts development between the complex and reductant was planned from the kinetics study. The rate conditions got from system can clarify all exploratory phenomena, and the activation parameters alongside rate constants of the rate determining step were ascertained.     

Dihedral angle study in Hesperidin using NMR Spectroscopy

Hesperidin is flavonoid molecule found in citrus fruits (Citrus reticulata), especially difficult to extract, classify and characterize. Present work is to study the unresolved relative configuration of Hesperidin through the dihedral angle, coupling constant and different NMR techniques. The Karplus equation and its modifications have been originated from the valence bond theory and associated with dihedral angle and coupling constant. The result data set of calculated dihedral angle can probe significant method to assign the virtual configuration of natural products and also resolved stereochemistry of Hesperidin at C‐2 position in. Copyright © 2016 John Wiley & Sons, Ltd.     

Simultaneous quantification of atenolol and chlorthalidone in human plasma by ultra‐performance liquid chromatography–tandem mass spectrometry

A simple, sensitive and reproducible ultra‐performance liquid chromatography–tandem mass spectrometry method has been developed for the simultaneous determination of atenolol, a β‐adrenergic receptor‐blocker and chlorthalidone, a monosulfonamyl diuretic in human plasma, using atenolol‐d7 and chlorthalidone‐d4 as the internal standards (ISs). Following solid‐phase extraction on Phenomenex Strata‐X cartridges using 100 μL human plasma sample, the analytes and ISs were separated on an Acquity UPLC BEH C₁₈ (50 mm × 2.1 mm, 1.7 µm) column using a mobile phase consisting of 0.1% formic acid–acetonitrile (25:75, v/v). A tandem mass spectrometer equipped with electrospray ionization was used as a detector in the positive ionization mode for both analytes. The linear concentration range was established as 0.50–500 ng/mL for atenolol and 0.25–150 ng/mL for chlorthalidone. Extraction recoveries were within 95–103% and ion suppression/enhancement, expressed as IS‐normalized matrix factors, ranged from 0.95 to 1.06 for both the analytes. Intra‐batch and inter‐batch precision (CV) and accuracy values were 2.37–5.91 and 96.1–103.2%, respectively. Stability of analytes in plasma was evaluated under different conditions, such as bench‐top, freeze–thaw, dry and wet extract and long‐term. The developed method was superior to the existing methods for the simultaneous determination of atenolol and chlorthalidone in human plasma with respect to the sensitivity, chromatographic analysis time and plasma volume for processing. Further, it was successfully applied to support a bioequivalence study of 50 mg atenolol + 12.5 mg chlorthalidone in 28 healthy Indian subjects. Copyright © 2015 John Wiley & Sons, Ltd.     

Effects of quantum confined stark effect and well thickness on optical properties of double quantum wells violet InGaN laser diodes

The effects of quantum confined stark effect (QCSE) and quantum well (QW) thickness on the optical properties of violet InGaN laser diodes (LDs) have numerically been investigated. The simulation results indicated that the QCSE greatly effects the optical properties of LDs, where QCSE relates to the QW thickness and it increases when the QW thickness is wider which leads to deteriorating of the optical proprieties of the violet InGaN LD. The polarization in the active region of the InGaN LD has been estimated by the blue shift of the wavelength and it is found that the blue shift of the wavelength depends on the QW thickness. The major simulation result has shown that the best properties of violet InGaN LD can be obtained with smaller QW thickness, where more carriers can be restricted, stayed and overlapped inside the QW which leads to a larger stimulated recombination rate and optical material gain which in turn increase the output power of the LD; while decreasing the threshold current of the LD.     

Recursive dynamics simulator (ReDySim): A multibody dynamics solver

Recursive formulations have significantly helped in achieving real-time computations and model-based control laws. The recursive dynamics simulator (ReDySim) is a MATLAB-based recursive solver for dynamic analysis of multibody systems. ReDySim delves upon the decoupled natural orthogonal complement approach originally developed for serial-chain manipulators. In comparison to the commercially available software, dynamic analyses in ReDySim can be performed without creating solid model. The input parameters are specified in MATLAB environment. ReDySim has the capability to incorporate any control algorithm with utmost ease. In this work, the capabilities of ReDySim for solving open-loop and closed-loop systems are shown by examples of robotic gripper, KUKA KR5 industrial manipulator and four-bar mechanism. ReDySim can be downloaded for free from http://www.redysim.co.nr and can be used almost instantly.