An improved understanding of the dispersion of multi-walled carbon nanotubes in non-aqueous solvents

Regenerable antimicrobial N-halamine/silica hybrid nanoparticles (NPs) containing chlorinated 5,5-dimethylhydantoinyl (Cl-DMH) groups, Cl-DMH/SiO₂ hybrid NPs, have been prepared by a co-condensation reaction between N-(3-triethoxysilylpropyl)-5,5-dimethylhydantoin (TS-DMH) and tetraethoxysilane (TEOS) and then a chlorination reaction in NaClO solution. The as-synthesized Cl-DMH/SiO₂ NPs were characterized by transmission electron microscopy, Scanning electron microscopy, X-ray photoelectron spectra, Specific surface area, Differential scanning calorimetry, and Fourier transform infrared. Experimental results showed that the size of the as-synthesized Cl-DMH/SiO₂ NPs could be well adjusted by changing the mass ratio of TS-DMH/TEOS and the volume ratio of 28 % NH₄OH/H₂O. Antimicrobial tests showed that the as-prepared Cl-DMH/SiO₂ hybrid NPs had excellent antimicrobial activities against both Escherichia coli and Staphylococcus aureus. The minimum inhibitory concentration and minimum bactericidal concentration values of the as-prepared Cl-DMH/SiO₂ hybrid NPs are 15 and 20 μg/mL for S. aureus, 25 and 30 μg/mL for E. coli, respectively. Paper disk diffusion assay showed that smaller-sized Cl-DMH/SiO₂ hybrid NPs have bigger inhibition zone diameters, indicating stronger antimicrobial efficacies. Also, the storage stability and regenerability of Cl-DMH/SiO₂ hybrid NPs were investigated.     

Mechanical properties of graphene under molecular hydrogen physisorption: An ab initio study

This paper investigates the mechanical properties of graphene subjected to adsorption of molecular hydrogen through an ab initio approach. First, using density functional theory (DFT) with both generalized gradient and local density approximation functionals, the most stable configuration for physisorption of molecular hydrogen on the graphene is determined. All possible adsorption sites are considered, and it is revealed that the most stable state happens above the center of a hexagon with the equilibrium distance of 2.7 Å when the axis of the hydrogen molecule is parallel to the graphene surface. Thereafter, DFT calculations are performed to obtain the in-plane stiffness and Poisson’s ratio of graphene under the above-mentioned adsorption position. It is found that the effect of hydrogen physisorption on the mechanical properties of graphene is not very significant.     

Capillary electrophoretic investigation of the enantioselective metabolism of propafenone by human cytochrome P-450 SUPERSOMES: Evidence for atypical kinetics by CYP2D6 and CYP3A4

An enantioselective CE method was used to identify the ability of CYP450 enzymes and their stereoselectivity in catalyzing the transformation of propafenone (PPF) to 5-hydroxy-propafenone (5OH-PPF) and N-despropyl-propafenone (NOR-PPF). Using in vitro incubations with single CYP450 enzymes (SUPERSOMES), 5OH-PPF is shown to be selectively produced by CYP2D6 and N-dealkylation is demonstrated to be mediated by CYP2D6, CYP3A4, CYP1A2, and CYP1A1. For the elucidation of kinetic aspects of the metabolism with CYP2D6 and CYP3A4, incubations with individual PPF enantiomers and racemic PPF were investigated. With the exception of the dealkylation in presence of R-PPF only, which can be described by the Michaelis-Menten model, all CYP2D6-induced reactions were found to follow autoactivation kinetics. For CYP3A4, all NOR-PPF enantiomer formation rates as function of PPF enantiomer concentration were determined to follow substrate inhibition kinetics. The formation of NOR-PPF by the different enzymes is stereoselective and is reduced significantly when racemic PPF is incubated. Clearance values obtained for CYP3A4 dealkylation are stereoselective whereas those of CYP2D6 hydroxylation are not. This paper reports the first investigation of the PPF hydroxylation and dealkylation kinetics by the CYP2D6 enzyme and represents the first report in which enantioselective CE data provide the complete in vitro kinetics of metabolic steps of a drug.     

An improved method for the protection of carboxylic acids as 1,1-dimethylallyl esters

1,1-Dimethylallyl (DMA) esters of various N-protected amino acids have been synthesized using prenyldimethylsulfonium tetrafluroborate, a reagent that can be readily made and stored, in conjunction with catalytic CuBr. These reactions were complete within several hours and afforded DMA esters in high yields. As has been previously shown in our group, DMA esters represent a palladium-labile proctecting group for carboxylic acids that resists nucleophilic attack as a tert-butyl ester would.     

The potential for intrinsic bioremediation of BTEX hydrocarbons in soil/ground water contaminated with gas condensate

Applied Biochemistry and Biotechnology - Gas condensate liquids contaminate soil and ground water at two gas production sites in the Denver Basin, CO. A detailed field study was carried out at...     

One‐Pot Synthesis of (1,2,3‐Triazolyl)methyl 3,4‐Dihydro‐2‐oxo‐1H‐pyrimidine‐5‐carboxylates as Potentially Active Antimicrobial Agents

A simple and efficient one‐pot four‐component procedure has been developed for the synthesis of a wide range of compounds containing the (triazolyl)methyl oxo‐pyrimidine‐carboxylate system from propargyl β‐keto esters, various azides, aldehydes, and urea in the presence of catalytic amounts of (AcO)₂Cu/sodium ascorbate in AcOH. The method worked well with different aryl and heteroaryl aldehydes, and for a variety of substituents in the triazolyl part of the molecule. The antimicrobial activities of the products were evaluated against two Gram‐positive and Gram‐negative bacteria, and one fungus. Compound 5j was active against Staphylococcus aureus and Candida albicans.     

Silica Sulfuric Acid: An Efficient and Versatile Acidic Catalyst for the Rapid and Ecofriendly Synthesis of 1,3,4‐Oxadiazoles at Ambient Temperature

A rapid and green synthesis of 2,5‐disubstituted 1,3,4‐oxadiazoles is reported. The title compounds were prepared by the reaction of different acyl hydrazides and orthoesters in the presence of silica sulfuric acid under solvent‐free conditions. In this new process, reactions were run at ambient temperature and completed in a short period of time with high yields.     

Surface treatment of Basalt fiber for use in automotive composites

Balancing the performance, durability and safety requirements of automotive systems with the regulatory landscape in an environment of climate change has accelerated the search for sustainable fiber reinforced polymer composites for automobile structures. Glass fiber reinforced thermoplastic polymer composites (GFRP) are widely used in certain structures like front end modules and liftgate; However, they cannot be used in more demanding applications due to their low mechanical properties. Carbon fiber reinforced thermoplastic polymer composites (CFRP) are promising candidates for applications like bonnet, but their use is constrained by cost. Basalt fiber reinforced thermoplastic polymer composites (BFRP) are sustainable materials that can be positioned between GFRP and CFRP in terms of performance and cost-effectiveness. The mechanical performance of the BFRP depend on the quality of the fiber-matrix interface that aids in efficient load transfer from the matrix to the fiber. Typically, basalt fibers are inert in nature and need treatments to improve its adhesion to polymeric matrices. The major chemical treatments that are reviewed in this article include matrix functionalization, silane treatment, functionalized nanomaterial coating and plasma polymerization. The physical treatments reviewed include plasma treatment and milling. It is evident that chemically treating the basalt fiber with a functionalized nanomaterial yields BFRP with a good stiffness – toughness balance that can be used for challenging metal replacements as also in new emerging areas like sensing and 3D printing.     

Ionic Liquid Promoted Eco-friendly and Efficient Synthesis of 2,3-Dihydroquinazolin-4(1<Emphasis Type="Italic">H</Emphasis>)-ones

Summary. 2,3-Dihydroquinazolin-4(1H)-ones were efficiently synthesised by the reaction of isatoic anhydride, a primary amine or ammonium acetate, and different aromatic aldehydes in 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim]BF₄) without using any acidic catalyst. Also a bis-derivative of the title compound as a polyheterocyclic system was synthesised successfully in high yield.     

STABILITY CHARACTERISTICS OF SINGLE-LAYERED ZINC OXIDE NANOSHEETS UNDER UNIAXIAL LOADING

This paper is aimed to propose a three-dimensional model which would be used for investigation on the mechanical behavior of single-layered zinc oxide nanosheets. To develop this model, molecular mechanics is coupled with the density functional theory. Simulating the hexagonal lattices of nanosheets as a hexagonal mechanical structure composed of structural beam elements, the buckling behavior of zinc oxide nanosheets is studied. Effects of different parameters on the stability of armchair and zigzag nanosheets are examined. It is shown that the buckling forces of zigzag nanosheets are slightly greater than those of armchair ones. However, with increasing size of nanosheets the effect of atomic structure on the stability of nanosheets diminishes.By studying the effect of end conditions on the buckling behavior of nanosheets, it is shown the stability of nanosheets is affected significantly by boundary conditions.