Preparation,Spectroscopic and Structural Investigations of Spiro Derivatives of Hexachlorocyclotriphosphazatriene

Abstract

Mono-(N₃P₃Cl₄Y₂), bis-(N₃P₃Cl₂Y₄) and tris-spiro derivatives (N₃P₃Y₆) have been prepared with ethylene, 1, 3-propylene and 1,4-butylene glycols (Y₂ = glycol residue). The ¹H NMR spectra of mono- and tris-derivatives are relatively simple; those of the bis- very complex due to the intrinsic asymmetry of the methylene protons. This effect is made use of in studying the replacement pattern of N₃P₃Cl₄ [O (CH₂)₃O] with primary and secondary amines. Homonuclear ¹H decoupling simplifies the spectra and allows an unambiguous distinction to be made between the different isomeric possibilities of the bis amino derivatives N₃P₃Cl₂R₂ [O(CH₂)₃O] where R = amino residue. Primary amines give geminal, secondary amines nongeminal trans-derivatives. The trans-structure of the bis-pyrrolidino derivative has been confirmed by X-ray crystallography.     

Time-Dependent Density Functional Theory Study on Hydrogen and Dihydrogen Bonding in Electronically Excited State of 2-Pyridone–Borane–Trimethylamine Cluster

In this work, the intermolecular dihydrogen and hydrogen bonding interactions in electronically excited states of a 2-pyridone (2PY)–borane–trimethylamine (BTMA) cluster have been theoretically studied using time-dependent density functional theory method. Our computational results show that the S₁ state of 2PY–BTMA cluster is a locally excited state, in which only 2PY moiety is electronically excited. The theoretical infrared (IR) spectra of the 2PY–BTMA cluster demonstrate that the N–H stretching vibrational mode is slightly blue-shifted upon the electronic excitation. Moreover, the computed IR spectrum of the 2PY–BTMA cluster exhibits no carbonyl character due to the extension of the C=O bond length in the S₁ state. However, the N–H bond is shortened slightly upon photoexcitation. At the same time, the H···H and H···O distances are obviously lengthened in the S₁ sate by comparison with those in ground state. In addition, the electron density of the carbonyl oxygen is diminished due to the electronic excitation. Consequently, the proton acceptor ability of carbonyl oxygen is decreased in the electronic excited state. As a result, it is demonstrated that the intermolecular dihydrogen and hydrogen bonds are significantly weakened in the electronically excited state.     

Effect of Nano‐support and Type of Active Metal on Reforming of CH4 with CO2

Two series of Co and Ni based catalysts supported over commercial (ZrO₂, CeO₂, and Al₂O₃) nano supports were investigated for dry reforming of methane. The catalytic activity of both Co and Ni based catalysts were assessed at different reaction temperatures ranging from 500—800 °C; however, for stability the time on stream experiments were conducted at 700 °C for 6 h. Various techniques such as N₂ adsorption‐desorption isotherm, temperature‐programmed reduction (H₂‐TPR), temperature‐programmed desorption (CO₂‐TPD), temperature‐programmed oxidation (TPO), X‐ray diffraction (XRD), thermogravimetric analysis (TGA) were applied for characterization of fresh and spent catalysts. The catalytic activity and stability tests clearly showed that the performance of catalyst is strongly dependent on type of active metal and support. Furthermore, active metal particle size and Lewis basicity are key factors which have significant influence on catalytic performance. The results indicated that Ni supported over nano ZrO₂ exhibited highest activity among all tested catalysts due to its unique properties including thermal stability and reducibility. The minimum carbon deposition and thus relatively stable performance was observed in case of Co‐Al catalyst, since this catalyst has shown highest Lewis basicity.     

Large range of omni-directional reflection in 1D photonic crystal heterostructures

A simple design of one-dimensional omni-directional reflector based on photonic crystal heterostructures structure has been proposed. The proposed structure consists of a periodic array of alternate layers of SiO₂ and Te as the materials of low and high refractive indices, respectively. The structure considered here has three stacks of periodic structures having five layers each. The lattice period of successive stack is increased by a certain multiple (say gradual constant, δ) of the lattice period of the just preceding stack. For numerical computation, the method of transfer matrix method (TMM) has been employed. It is found that such a structure has wider reflection bands in comparison to a conventional dielectric PC structure and the width of the omni-directional reflection (ODR) bands can be enlarged by increasing the value of the gradual constant δ.     

Isolation and characterization of novel antibacterial compound from an untapped plant,Stereospermum fimbriatum

Abstract

Stereospermum fimbriatum or locally known as “Chicha” is traditionally used for itchy skin, earache, stomachache and postpartum treatments. This study was designed to evaluate the antimicrobial potential of S. fimbriatum’s stem bark against 11 pathogens and isolate its bioactive compound. Successive soxhlet extraction was conducted using n-hexane, dichloromethane (DCM) and methanol. Disc diffusion, minimum inhibitory and bactericidal concentration (MIC & MBC) assays were done to examine the antimicrobial activity. Bioassay-guided isolation was conducted on S. fimbriatum’s extract. The DCM extract of stem bark (DS) was the most potent extract followed by n-hexane extract of the stem bark (NS). A novel compound was isolated and coded as C1 which demonstrated potent antibacterial effects with the MIC values as low as 3.13?µg/mL to 6.25?µg/mL, against S. epidermidis, MRSA and S. aureus. Thus, S. fimbriatum could be a potential source of antimicrobial agents for the treatment of skin infections, specifically, MRSA.     

Preparation of CTA-based polymer inclusion membrane using calix[4]arene derivative as a carrier for Cr(VI) transport

In this work, the transport of Cr(VI) ions from an aqueous donor phase solution to an acceptor phase that contained an acetic acid/ammonium acetate buffer at pH 5 through a polymer inclusion membrane (PIM) containing p-tert-butylcalix[4]arene amine derivative as carrier was studied. The Cr(VI) passed through a PIM comprised of cellulose triacetate as a support and 2-NPOE as a plasticizer. The transport efficiency of Cr(VI) was studied under various experimental conditions, such as effect of carrier concentration, acceptor phase pH, type of plasticizer in the membrane, stirring rate and membrane thickness. The kinetic parameters were calculated as rate constant (k), permeability coefficient (P), and flux (J). The transport efficiency of Cr(VI) was observed to be 95.07 % after 10 h under optimized conditions. The prepared PIM was characterized with Fourier transform infrared spectroscopy and the atomic force microscopy techniques as well as with contact angle measurements. This is an effective method for the removal of Cr(VI) which is toxic for human body and environment from the waste water.     

Bagley-Torvik型分数阶微分方程和包含非局部积分边值问题

In this article,we consider the Bagley-Torvik type fractional differential equation ~cD~(ν1) l(t)-a~cD~(ν2) l(t) = g(t, l(t)) and differential inclusion ~cD~(ν1) l(t)-a~cD~(ν2) l(t) ∈ G(t, l(t)),t ∈(0, 1) subjecting to l(0) = l_0,and■ ds where 1 ν_1 ≤ 2, 1 ≤ν_2 ν_1,0 ω≤ 1, χ = ν_1-ν_2 0, a, λ′are given constants. By using Leray-Schauder degree theory and fixed point theorems, we prove the existence of solutions. Our results extend the existence theorems for the classical Bagley-Torvik equation and some related models.