Solving evolution equations using a new iterative method

In this article, we apply the new iterative method proposed by Daftardar‐Gejji and Jafari (J Math Anal Appl 316, (2006), 753–763) for solving various linear and nonlinear evolution equations. The results obtained are compared with the results by existing methods. © 2009 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2010     

Ensuring robustness in the quality of antibiotic susceptibility test discs for four novel antibiotics

Antibiotic susceptibility test (AST) discs are used as an in-vitro diagnostic tool to select the appropriate antibiotic to treat an infection. Generally, the concentration of the drug loaded on to the AST discs is measured by studying its activity against quality control organisms. This methodology has several limitations—it is time consuming, requires trained manpower, has a wider acceptance criteria of zone of inhibitions—causing ambiguity in judging smaller variations in drug concentration. To overcome these issues, we have developed and validated high-performance liquid chromatographic (HPLC) methods for the determination of strength of AST discs for in-house researched antibiotics, namely Levonadifloxacin/WCK 771, Nafithromycin/WCK 4873, Cefepime-Tazobactam/WCK 4282, and Cefepime-Zidebactam/WCK 5222. The drugs were extracted from the AST discs using an appropriate solvent. The developed methods are simple, accurate, precise, reproducible, rugged, and robust. They are efficient in terms of time, and can be easily conducted in a quality control laboratory during release as well as stability evaluation of AST disc. Application of HPLC methods for the determination of strength of AST discs ensures flawless quality and, consequently, a better selection of drugs to treat bacterial infections in clinics.     

Synthesis of 1,1-diaryl ethylenes by Cu-catalyzed arene C-H addition to aryl acetylenes

An unprecedented copper-catalyzed C-H addition of arenes to aryl acetylenes provides a facile route to 1,1-diaryl ethylenes in moderate to excellent yields. Arylboronic acids were likewise used along with aryl acetylenes in generating 1,1-diaryl ethylene.     

Synthesis and studies on metal coordination with a novel carboxyamide ligand

Novel complexes of Co(II), Ni(II), Cu(II) and Pd(II) with the new ligand [N,N'-bis(2-carboxy-1-oxo-phenelenyl)ethylenediamine] (H2L) have been synthesized and characterized on the basis of elemental analyses, magnetic susceptibility, thermal, infrared, electronic, 1H NMR and EPR spectral studies. Infrared and 1H NMR spectra show that H2L acts as a binegative tetradentate ligand. Coordination occurs through deprotonated carboxylate oxygens and nondeprotonated amido nitrogens in all the complexes. Electronic spectral studies and magnetic moment values suggest N2O2 coordination around each metal centre with strong field square planar chromophores. The probable structures of the complexes have been assigned on the basis of spectral studies. The complex formation between M(II) [M(II) = Mn(II), Co(II), Ni(II), Cu(II) and Zn(II)] and (L2-) has also been studied potentiometrically in 75% aqueous DMF at 25 degrees C in 0.1 M NaClO4. The stability constants were found to follow the order: Mn(II) < Co(II) < Ni(II) < Cu(II) > Zn(II).     

Tandem and chemoselective synthesis of benzil derivatives from styrene and arene diazonium salts

A facile and practically applied protocol for synthesis of benzil derivatives using styrene and arene diazonium salts is reported. Pd(OAc)₂/SeO₂ catalytic system was found to be efficient for chemoselective synthesis of benzil. Selenium dioxide works well as an oxidant under milder reaction conditions. Moderate to very good yields of the desired products were obtained.     

Non-linear dynamic intertwining of rods with self-contact

Twisted marine cables on the sea floor can form highly contorted three-dimensional loops that resemble tangles. Such tangles or ‘hockles’ are topologically equivalent to the plectomenes that form in supercoiled DNA molecules. The dynamic evolution of these intertwined loops is studied herein using a computational rod model that explicitly accounts for dynamic self-contact. Numerical solutions are presented for an illustrative example of a long rod subjected to increasing twist at one end. The solutions reveal the dynamic evolution of the rod from an initially straight state, through a buckled state in the approximate form of a helix, through the dynamic collapse of this helix into a near-planar loop with one site of self-contact, and the subsequent intertwining of this loop with multiple sites of self-contact. This evolution is controlled by the dynamic conversion of torsional strain energy to bending strain energy or, alternatively, by the dynamic conversion of twist (Tw) to writhe (Wr).     

Molecular dynamics simulations of ion-irradiation induced deflection of 2D graphene films

Ion-irradiation induced surface stress generation and the resulting deflection of 2D cantilever graphene films is studied using molecular dynamics (MD) simulations. The simulation results show that the free-end deflection is strongly dependent on the kinetic energy of the incident ions. At low incident energies (?10 eV), the graphene film bends towards the irradiated side (upward deflection in our simulations); a transition from bending towards the irradiated side (upward deflection) to bending away from the irradiated side (downward deflection) occurs when the incident energy is ～10 eV; the downward deflection peaks at ～50 eV. Further increases of the incident energy cause the magnitude of downward deflection to decrease. The evolution of free-end deflection with respect to the number of incidences is also dependent on the incident energy. The dependence of the deflection behavior of the graphene films on the incident energy revealed by our atomistic simulations suggests the generation of intrinsic stress of different levels in the growing films. Such behavior may be attributed to competing mechanisms of production and annihilation of interstitial- and vacancy-like defects in the growing film. Understanding the dependence of thin film deflection on the incident energy provides guidelines for controlling thin film shapes at the nanometer scale using ion-beam machining.