Adsorption properties of hydrazine on pristine and Si-doped Al12N12 nano-cage

The interaction of hydrazine (N₂H₄) molecule with pristine and Si-doped aluminum nitride (Al₁₂N₁₂) nano-cage was investigated using the density functional theory calculations. The adsorption energy of N₂H₄ on pristine Al₁₂N₁₂ in different configurations was about –1.67 and –1.64 eV with slight changes in its electronic structure. The results showed that the pristine nano-cage can be used as a chemical adsorbent for toxic hydrazine in nature. Compared with very low sensitivity between N₂H₄ and Al₁₂N₁₂ nano-cage, N₂H₄ molecule exhibits high sensitivity toward Si-doped Al₁₂N₁₂ nano-cage so that the energy gap of the Si-doped Al₁₂N₁₂ nano-cage is changed by about 31.86% and 37.61% for different configurations in the Si_Al model and by about 26.10% in the Si_N model after the adsorption process. On the other hand, in comparison with the Si_Al model, the adsorption energy of N₂H₄ on the Si_N model is less than that on the Si_Al model to hinder the recovery of the nano-cage. As a result, the Si_N Al₁₂N₁₁ is anticipated to be a potential novel sensor for detecting the presence of N₂H₄ molecule.     

Aggregation and supramolecular membrane interactions that influence anion transport in tryptophan-containing synthetic peptides

Self-assembly is a desired property in supramolecular chemistry, but extensive aggregation may be counterproductive. Rigid systems typically have better organization, but are inherently less dynamic. This work shows that ion transport by amphiphilic heptapeptides (synthetic anion transporters or SATs) is affected by aggregation of the monomers in the bulk aqueous phase to which they are added and within the bilayer. Ion transport was assessed for all compounds by assay of Cl(-) release from liposomes. The mechanism of ion transport was confirmed by planar bilayer conductance studies for two compounds at opposite ends of the efficacy scale. Dynamic light scattering, the Langmuir trough, transmission electron microscopy, ion release from liposomes, and planar bilayer conductance studies were used to assess the importance of self-assembly versus aggregation in ion transport. Generally, greater aggregation was has an adverse effect on the transport, although at least dimerization is required for amphiphilic heptapeptides to readily transport Cl(-). Anion transport in these systems was found to be sensitive to changes in the C-terminal portion of the (Gly)(3)Pro(Gly)(3) sequence. Moreover, a significant difference in transport efficacy was apparent when L-Trp was replaced by D-Trp in the same position.     

Effect of ZnO nanoparticles on kinetics of thermal degradation and final properties of ethylene–propylene–diene rubber systems

The morphology, thermal degradation behavior in addition to static and dynamic mechanical properties of various ethylene?Cpropylene?Cdiene (EPDM) rubber compounds containing nano-zinc oxide (NZnO) were investigated compared to those of EPDM with ordinary-sized ZnO (OSZnO). The field-emission scanning electron microscopy studies showed that unlike the conventional system, the formation of large size ZnO agglomerates was discouraged for NZnO filled systems. Thermogravimetric analysis (TG) revealed that the thermal degradation of EPDM system was delayed upon the inclusion of NZnO instead of OSZnO in the compound. The kinetic analysis of TG data based on Friedman and Kissinger methods showed that the nanocomposite samples exhibited higher activation energy (E _a ) and lower order of reaction (n) over the conventional system, suggesting the enhancement of thermal stability upon decreasing ZnO particle size. The results obtained from dynamic mechanical analysis and static mechanical characterizations in terms of hardness, resilience, and abrasion tests interestingly indicated that NZnO not merely could act as a thermal insulator, but also could perform as a nano-filler to improve the final performance of EPDM elastomers.     

A sulfonating ionic liquid for one-pot pseudo four-component synthesis of novel 3-chlorosulfonyl-δ-sultones: A novel class of fluorescent compounds

An active imidazolium-based ionic liquid mixture was developed for efficient synthesis of some novel 4,6-diaryl-3-(chlorosulfonyl)-1,2-oxathiine-2,2-dioxides (chlorosulfonyl-δ-sultones) from simple acetophenones at room temperature. The ionic liquid mixture acts as a catalyst to condense two molecules of an acetophenone derivative and as a mild sulfonating agent to convert the resulting condensate into 4,6-diaryl-1,2-oxathiine-2,2-dioxides, and finally as a chlorosulfonating reagent to deliver the desired fully unsaturated chlorosulfonyl-δ-sultones in onepot. The products were separated easily from the reaction mixture and showed valuable fluorescence properties. The structures of these products are in good agreement with their ¹H NMR, ¹³C NMR, and mass spectral data. All rights reserved.     

Highly Efficient Aminolysis of Epoxides Catalyzed by Reusable Zirconyl Triflate,ZrO(OTf)2

Efficient ring opening of epoxides with aromatic amines catalyzed by ZrO(OTf)₂ is reported, and the corresponding β amino (beta-amino acid) alcohols were obtained in high yields in CH₃CN as solvent. The reactions were carried out at room temperature and in the presence of only 1.25 mol% of ZrO(OTf)₂. This catalyst can be reused several times without loss of its activity.     

Thermal and morphological characteristics of solution blended epoxy/NBR compound

Systematic study about the effect of acrylonitrile–butadiene rubber (NBR) concentration on the fracture toughness and thermal behavior of epoxy resin is conducted in this study. NBR is solved in an aromatic hydrocarbon solvent and is added to epoxy resin. We used diethylene-teriamin as the curing agent for epoxy resin. Tensile test results, performed followed by molding procedure, show that the toughness is improved owing to the increase of rubber content. Scanning electron microscopy (SEM) and atomic force microscopy besides thermogravimetric analysis (TG) are used to investigate the epoxy/rubber interface and chemical decomposition of the resultant mixture. The thermal behavior of cured epoxy resin was analyzed via TG instrument at different heating rates. Thermogravimetry curves showed that the thermal decomposition of epoxy system was occurred in only one stage regardless of the rubber content. The apparent activation energies of the rubber/epoxy systems containing 0, 5, and 10 phr of rubber were determined by Flynn–Wall–Ozawa, Kissinger–Akahira–Sunose, and Friedman methods. The results prove that the thermal stability of epoxy resin was decreased with enhancing the rubber content. However, the trend of changing activation energy versus conversions is totally different followed by adding the elastomer to the system compared to neat epoxy resin. Moreover, the results obtained via our proposed facile solution blending method are compared to those of resins modified with nano-powdered elastomer.     

Synthesis and evaluation of antiproliferative activity of substituted N-(9-oxo-9H-xanthen-4-yl)benzenesulfonamides

Several novel N-(9-oxo-9H-xanthen-4-yl)benzenesulfonamide derivatives were prepared as potential antiproliferative agents. The in vitro antiproliferative activity of the synthesized compounds was investigated against a panel of tumor cell lines including breast cancer cell lines (MDA-MB-231, T-47D) and neuroblastoma cell line (SK-N-MC) using MTT colorimetric assay. Etoposide, a well-known anticancer drug, was used as a positive standard drug. Among synthesized compounds, 4-methoxy-N-(9-oxo-9H-xanthen-4-yl)benzenesulfonamide (5i) showed the highest antiproliferative activity against MDA-MB-231, T-47D, and SK-N-MC cells. Furthermore, pentafluoro derivatives 5a and 6a exhibited higher antiproliferative activity than doxorubicin against human leukemia cell line (CCRF-CEM) and breast adenocarcinoma (MDA-MB-468) cells. Structure–activity relationship studies revealed that xanthone benzenesulfonamide hybrid compounds can be used for the development of new lead anticancer agents.     

Antimicrobial Treatment of Different Metal Oxide Nanoparticles: A Critical Review

Many nanomaterials can be used as metal oxides (Ti, Ag, Zn, Cu, Mg, Ca, Ce, Yt, Al). Metal oxide nanoparticles have strong antimicrobial properties. The oxides that play a large role as antimicrobial agents can be divided into two major groups based on their mechanism of action i.e., those that involve oxidation and those that inhibit the production of Reactive Oxygen Species (ROS). Previous studies have shown that, toxic metals like silver and titanium, and their metals oxides, employ the ROS‐mediated mechanism that leads to oxidative stress‐related cytotoxicity, cancer, and heart diseases. Oxidative stress further leads to increased ROS production and also delays the cellular processes involved in wound heal‐ ing. Other metal oxide nanoparticles, like Y₂O₃, CeO₂ and Al₂O₃ act as free radical scavengers. Out of these, aluminium oxide nanoparticles are more effective antimicrobial agents, than the other metal oxide nanoparticles. A combination of Al₂O₃ and other antimicrobial agents such as TiO₂ may act as ideal antimicrobial agents, along with possessing free radical scavenging activity. This critical review aims to study the antimicrobial properties of different metal oxide nanoparticles and the mechanism of action in‐ volved, besides comparing their efficacy to eliminate bacteria.     

Synthesis and characterization of poly(methacrylic acid)‐based molecularly imprinted polymer nanoparticles for controlled release of trinitroglycerin

In this study, a novel molecularly imprinted polymer (MIP) based on methacrylic acid (MAA) monomer was synthesized to control release of trinitroglycerin (TNG) as a vasodilator drug for adjusting the cardiac conditions. For this purpose, TNG nanospheres based on poly(methacrylic acid) (PMAA) were prepared by using the precipitation polymerization process. The synthesized TNG nanospheres‐based MIP samples were characterized by means of Fourier transform infrared spectroscopy and field‐emission scanning electron microscopy in order to investigate their provided active functional groups within the cavities as well as morphology, respectively. The results showed that the appropriate non‐covalent bindings between the TNG (template) and PMAA provided within the MIP samples with imprinting factor of 1.98 were achieved by optimizing the amounts of trimethylolpropane trimethacrylate (TRIM) as a cross‐linker and MAA as a functional monomer. On the basis of these obtained conditions, the polymeric nanospheres containing TNG were formed in shape of spherical particles with an average diameter sizing about 40 nm. These remarkable results were obtained by the use of 1:10 molar ratio of TRIM/TNG and 1:6 molar ratio of MAA/TNG. Moreover, in‐vitro release of the TNG from the MIP samples to phosphate buffer solution (pH = 7.4) indicated that the MIP samples had a moderate and gradual release compared with the non‐imprinted polymer samples. These outcomes conducted us to consider the samples as carriers for adjusting potentially cardiac conditions. Copyright © 2016 John Wiley & Sons, Ltd.