Preparation and study of bi-supported Ziegler-Natta catalyst with nano graphene oxide and magnesium ethoxide supports for polymerization of polyethylene

In this study, we have reported the preparation of bi-supported Ziegler-Natta catalysts using magnesium ethoxide and graphene oxide as support. The polymerization process was carried out in slurry phase using triisobutylaluminum as a co-catalyst.The XRD analysis of TiCl₄/graphene oxide/Mg(OEt)₂ catalyst demonstrated that the space between the layers of graphene oxide had increased to 0.2 nm.The catalyst was characterized by XPS, BET, BJH, SEM, and TGA. The catalyst activity was studied for various Al/Ti molar ratios, and the catalyst activity was optimum at Al/Ti molar ratio of 315.     

A simple graphical approach to predict local residue conformation using NMR chemical shifts and density functional theory

The dependency of amino acid chemical shifts on φ and ψ torsion angle is, independently, studied using a five‐residue fragment of ubiquitin and ONIOM(DFT:HF) approach. The variation of absolute deviation of ¹³C^α chemical shifts relative to φ dihedral angle is specifically dependent on secondary structure of protein not on amino acid type and fragment sequence. This dependency is observed neither on any of ¹³C^β, and ¹H^α chemical shifts nor on the variation of absolute deviation of ¹³C^α chemical shifts relative to ψ dihedral angle. The ¹³C^α absolute deviation chemical shifts (ADCC) plots are found as a suitable and simple tool to predict secondary structure of protein with no requirement of highly accurate calculations, priori knowledge of protein structure and structural refinement. Comparison of Full‐DFT and ONIOM(DFT:HF) approaches illustrates that the trend of ¹³C^α ADCC plots are independent of computational method but not of basis set valence shell type. © 2016 Wiley Periodicals, Inc.     

Using fractional-order integrator to control chaos in single-input chaotic systems

This paper deals with a fractional calculus based control strategy for chaos suppression in the 3D chaotic systems. It is assumed that the structure of the controlled chaotic system has only one control input. In the proposed strategy, the controller has three tuneable parameters and the control input is constructed as fractional-order integration of a linear combination of linearized model states. The tuning procedure is based on the stability theorems in the incommensurate fractional-order systems. To evaluate the performance of the proposed controller, the design method is applied to suppress chaotic oscillations in a 3D chaotic oscillator and in the Chen chaotic system.     

On the dynamics of tapping mode atomic force microscope probes

A?mathematical model is developed to investigate the grazing dynamics of tapping mode atomic force microscopes (AFM) subjected to a base harmonic excitation. A?multimode Galerkin approximation is utilized to discretize the nonlinear partial differential equation of motion governing the cantilever response and associated boundary conditions and obtain a set of nonlinearly coupled ordinary differential equations governing the time evolution of the system dynamics. A?comprehensive numerical analysis is performed for a wide range of the excitation amplitude and frequency. The tip oscillations are examined using nonlinear dynamic tools through several examples. The non-smoothness in the tip/sample interaction model is treated rigorously. A?higher-mode Galerkin analysis indicates that period doubling bifurcations and chaotic vibrations are possible in tapping mode microscopy for certain operating parameters. It is also found that a single-mode Galerkin approximation, which accurately predicts the tip nonlinear responses far from the sample, is not adequate for predicting all of the nonlinear phenomena exhibited by an AFM, such as grazing bifurcations, and leads to both quantitative and qualitative errors.     

Existence of energy maximizing vortices in a three-dimensional quasigeostrophic shear flow with bounded height

The existence of an energy maximizer relative to a class of rearrangements of a given function is proved. The maximizers are stationary and stable solutions of the quasigeostrophic equation, which governs the time evolution of large-scale three-dimensional geophysical flow in a vertically bounded domain. The background flow is unidirectional, with linear horizontal shear. The theorem proved implies the existence of a family of stationary and stable vortices that rotate in the same direction as the background shear. It extends an earlier theorem by Burton and Nycander, which is valid for a vertically unbounded domain.     

Direct conversion of thiols and disulfides into sulfonamides

The H₂O₂-ZrCl₄ reagent system is used as a new and efficient reagent for the conversion of thiols and disulfides into sulfonamides. The protocol offers several advantages such as excellent yields of products and extremely fast reactions at room temperature. The reagent system is very easy to handle and is environmentally safe and economical.     

Poly(p-xylene disulfide) and poly(p-xylene tetrasulfide): synthesis,cure and investigation of mechanical and thermophysical properties

Abstract

In this work, two polysulfide polymers were synthesized using aromatic organic monomer (α,α′-dichloro-p-xylene) and sodium disulfide (Na₂S₂) and sodium tetrasulfide (Na₂S₄) aqueous monomers. Then, the curing process of the polymers was carried out at 170° C using a rheometer. The structural characteristics of synthesized and cured samples were identified by Raman and Fourier transform infrared (FT-IR) spectroscopies. Also, morphological and thermophysical properties of samples were studied by using the X-ray diffraction (XRD) and differential scanning calorimetry (DSC), respectively. Moreover, the molecular weight of the synthesized samples was determined by proton nuclear magnetic resonance (¹H NMR). Furthermore, the mechanical properties and hardness of the samples were investigated by tensile test and Shore A. The results showed that in the noncured samples during the increase of sulfur in the polymer structure, solubility was increased whereas it decreased the hardness, melting point (T_m ) and glass transition temperature (T_g ) of polymers. But in cured samples, hardness and T_g increase by increasing sulfur and the mechanical properties also improved. This is due to the increase in crosslinks. Also, Tm and solubility are not observed due to the formation of crosslinks.     

Design of novel optically active oligomers consist of units similar to BODIPY molecules

Structural Chemistry - In this study, based on new designed and reported molecules with chemical formula of C13H13B2N, novel electrically and optically active oligomers with different size were...     

All-Optical Multi-Mode Interference Switch Using Non-Linear Directional Coupler as a Passive Phase Shifter

Abstract

This article presents an all-optical multi-mode interference switch in which the non-linear directional coupler is utilized to realize a passive phase shifter. The proposed structure can be used either as a 1 × 2 or a 2 × 2 switch, with two inputs applied simultaneously in the latter case. The operation of the device is mainly based on the phase difference of the inputs of the multi-mode interference section. The beam propagation method is used for the design and simulation of the structure. The simulation results approve the low sensitivity on wavelength and fabrication tolerances. The crosstalk of the structure is equal to ?31.6 dB.