Preparation and characterization of hexamethylenetetramine‐functionalized magnetic nanoparticles and their application as novel catalyst for the synthesis of pyranopyrazole derivatives

A new magnetic catalyst was prepared through the reaction of silanol groups, on the surface of silica‐coated Fe₃O₄ magnetic nanoparticles, with (3‐chloropropyl)triethoxysilane followed by hexamethylenetetramine and chlorosulfonic acid. The obtained magnetic catalyst was characterized using thermogravimetric analysis, vibrating sample magnetometry, scanning electron microscopy and energy‐dispersive X‐ray analysis. Its catalytic activity was investigated in the synthesis of pyranopyrazole compounds, and the results were excellent regarding high yield of the products and short reaction time.     

Spin Polarization and Spin‐Flip Through Phosphorene Superlattice

The spin‐dependent transport properties, including spin polarization and spin‐flip for phosphorene superlattice in the presence of an extrinsic Rashba spin‐orbit interaction (RSOI) based on the transfer matrix method, are studied. The results show that the number of barriers in the superlattice structure plays a dominant role in output spin polarization, which can be used in designing optimized spintronic devices. In addition, by controlling on the Rashba strength, an incident spin‐up electron can be transmitted as a spin‐down electron. Also, it enables to convert the unpolarized incident electronic beam (with zero spin polarization) into an arbitrary output spin polarization, which plays a significant role in qubit circuits.     

A Rapid,Highly Sensitive and Selective Phosgene Sensor Based on 5,6-Pinenepyridine

The toxicity of phosgene (COCl₂) combined with its extensive use as a reactant and building block in the chemical industry make its fast and accurate detection a prerequisite. We have developed a carboxylic derivative of 5,6-pinenepyridine which is able to act as colorimetric and fluorimetric sensor for phosgene in air and solution. For the first time, the formation of a pyrido-[2,1-a]isoindolone was used for this purpose. In solution, the sensing reaction is extremely fast (under 5 s), selective and highly sensitive, with a limit of detection (LOD) of 9.7 nM/0.8 ppb. When fixed on a solid support, the sensor is able to detect the presence of gaseous phosgene down to concentrations of 0.1 ppm, one of the lowest values reported to date.     

Design and synthesis of a new series of amphiphilic peptide-β-cyclodextrins as phase transfer carriers for glucosamine

A new series of amphiphilic β-cyclodextrins were designed and synthesized by grafting peptide chains on to all primary hydroxyl groups via ester bond formation. The desired amphiphilic structures have been produced from ester connection between the C-6 of β-cyclodextrin and the carboxyl group of N-acetylated resides: H₂N-Leu-COOH, H₂N-Leu-Gly-COOH, H₂N-Leu-Gly-Leu-COOH, and H₂N-Leu-Gly-Leu-Gly-COOH (3a-d). The synthetic pathway involves selective bromination of all primary hydroxyls of β-cyclodextrins and then substitution with the carboxylate moiety of the mentioned N-acetyl residues in the presence of DBU (1,8-diazabicyclo[5,4,0]undec-7-ene). The ability of the synthetic compounds for extraction and phase transfer of glucosamine, as a hydrophilic organic compound, was then studied. The results showed a considerable ability of these amphiphilic compounds for extraction and a selective tendency of 3c for phase transfer of glucosamine.     

Synthesis and characterization of optically active polyamides based on 2-(1,3-isoindolinedione-2-yl)glutaric acid by direct polycondensation

<正>Five new optically active polyamides(PAs) 6a-6e were prepared by direct polycondensation reaction of 2-(1,3- isoindolinedione-2-yl)-glutaric acid 4 as a new chiral diacid with various aromatic diamines 5a-5e in a medium consisting of triphenyl phosphite(TPP),calcium chloride,pyridine(Py) and N-methyl-2-pyrrolidone(NMP).The polycondensation reaction produced a series of polyamids 6a-6e in quantitative yields with inherent viscosities of 0.26-0.39 dL/g.The resulting polymers were fully characterized by means of ~1H-NMR,FT-IR spectroscopy,elemental analysis,inherent viscosity and specific rotation.Thermal properties of these polymers were investigated using thermal gravimetric analysis (TGA) and differential thermal gravimetry(DTG).Phthalimide rings as a bulky pendent group in the polymer chains disturb the interchain and intrachain interactions and make these PAs readily soluble in polar,aprotic solvents such as N,N-dimethyl acetamide(DMAc),N,N-dimethyl formamide(DMF),dimethyl sulfoxide(DMSO),N-methyl-2-pyrrolidone(NMP) and sulfuric acid.     

A comparison of the inclusion behavior of human serum albumin and holo transferrin with fluoxymesterone in the presence of three different cyclodextrins

This article describes the interaction of fluoxymesterone (Flu) with HSA and HTF in the absence and presence of cyclodextrins (CDs) (α, β and γ). According to fluorescence data, the binding of Flu to the proteins caused strong static quenching in the binary and ternary systems. The fluorescence quenching results demonstrated that HSA and HTF had two and one class of apparent binding sites with a distinct binding constant in the presence of the CDs, respectively. The effects of Flu on the structure of HSA and HTF were analyzed using synchronous fluorescence spectroscopy, which showed that the interaction of Flu with both proteins in the binary and ternary systems altered the microenvironment around the Trp and Tyr residues. The distance, r, between Flu and the proteins was obtained according to FRET which pointed at a successful formation of a drug-protein complex. Far-UV CD spectra indicated that the binding of the drug to both proteins induced changes in the secondary structure of HSA and HTF in the binary and ternary systems. Finally, molecular modeling provided possible binding sites of Flu within the proteins for the binary and ternary systems and also confirmed the experimental results. The obtained data can be useful for determining usage drug doses in drug delivery.     

Phytochemical fabrication,characterization, and antioxidant application of copper and cobalt oxides nanoparticles using <Emphasis Type="Italic">Sesbania sesban</Emphasis> plant

In this work, an ecofriendly and economic strategy for synthesize of CuO and Co₃O₄ were developed using extracted Sesbania sesban solution (ESS) as a reducing and stabilizing agent, and bioreactor. These novel nano metal oxides (NMOs) were characterized by high-resolution-transmission electron microscopy (TEM), EDAX thermo gravimetric analysis and X-ray diffraction (XRD). Morphology and size of them were investigated by TEM and the average sizes of for spherical CuO and Co₃O₄ nanoparticles are 20–40 and 15–30 nm, respectively. The XRD and EDAX confirmed the high purity for NMOs. The thermal behaviors of the NMOs exhibited good crystallographic stability within the investigated temperature range. The antioxidant and antibacterial activities of NMOs were investigated and compared to manganese(III) meso-tetraphenylporphyrin complex/Ag nanocomposite (Ag/P nanocomposite) synthesizing by ESS. The results obtained from this work showed that copper(II) oxide, cobalt oxide nanoparticles, and Ag/P nanocomposite have DPPH scavenging activity. On the other hand, NMOs have no antibacterial activity against Gram-negative bacterial strains. Cobalt oxide nanoparticles have antibacterial activity against Staphylococcus aureus, while Ag/P nanocomposite showed the antibacterial activities against both Gram-negative and Gram-positive bacterial strains.     

Gegenbauer spectral method for time‐fractional convection–diffusion equations with variable coefficients

In this paper, we study the numerical solution to time‐fractional partial differential equations with variable coefficients that involve temporal Caputo derivative. A spectral method based on Gegenbauer polynomials is taken for approximating the solution of the given time‐fractional partial differential equation in time and a collocation method in space. The suggested method reduces this type of equation to the solution of a linear algebraic system. Finally, some numerical examples are presented to illustrate the efficiency and accuracy of the proposed method. Copyright © 2014 John Wiley & Sons, Ltd.     

Cooperativity effects of intramolecular OH…O interactions on pKa values of polyolalkyl sulfonic acids in the gas phase and solution: a density functional theory study

Density functional theory method and B3LYP/6‐311++G(d,p) level of theory were used to determine the acidity of alkyl sulfonic acids and polyolalkyl sulfonic acids in the gas and solution (H₂O, DMSO, and CH₃CN) phase. Polarized continuum model was applied to calculate pK_a values of alkyl sulfonic acids and polyolalkyl sulfonic acids. A comparison between acidity of alkyl sulfonic acids and polyolalkyl sulfonic acids in the gas and solution phase indicates that the acidity strength of polyolalkyl sulfonic acids enhances with the increase of the cooperativity effect of intramolecular hydrogen bonds in polyolalkyl sulfonic acids. Natural bond orbital and quantum theory of atoms in molecules analyses also confirm the role of cooperativity effect on the acidity of polyolalkyl sulfonic acids. Copyright © 2014 John Wiley & Sons, Ltd.