Gold-surface binding of molecular switches studied by M?ssbauer spectroscopy

The nonanuclear coordination compound [Mo^IV{(CN)Fe^III(3-methyl-saldptn)}₈]Cl₄ exhibits multiple spin transitions (3-methyl-saldptn = N,N′-bis(3′′-methyl-2′′-hydroxy-benzyliden)-1,7-diamino-4-azaheptane). This spin crossover cluster is bound via a self-assembled monolayer onto a two dimensional array gold surface. M?ssbauer spectroscopy indicates that the thermally and optically induced spin crossover of the compound is maintained. Thereby, the foundation for its potential practical application (e.g. in the field of information storage) was laid.     

Assessment of nanocomposites based on unsaturated polyester resin/nanoclay under impact loading

The aim of this study is to investigate the performance of nanoclay reinforced unsaturated polyester (UP) resin under impact loads. Nanocomposite specimens containing nanoclay in 0, 1.5, and 3 (wt%) were prepared by melt mixing method. X‐ray diffraction, transmission electron microscopy analysis, scanning electron microscope photographs, and viscosity changes in liquid state resin confirmed exfoliation and intercalation of the nanoclay in the UP resin system used. Tensile modulus showed an increase with increase in nanoclay content. However, the tensile strength and elongation at break exhibited reducing performance with increase in nanoclay content. Izod impact test results indicated better performance for the specimens containing nanoclay reinforcements, with 1.5 (wt%) of nanoclay specimens showing the highest value. High velocity impact tests were carried out using gas gun in velocity range of 20–100 m/sec and harden steel hemispherical tip projectile with diameter of 8.7 mm and weight of 11.54 g. Results for high velocity impact test indicated better performance by the specimens containing nanoclay, with 1.5 (wt%) nanoclay showing the highest attained value. Damage assessments of impact area for all specimens showed spalling type brittle failure with punch out and sever fragmentation pattern. Copyright © 2011 John Wiley & Sons, Ltd.     

Investigation of hydrogen and methane adsorption/separation on silicon nanotubes: a hierarchical multiscale method from quantum mechanics to molecular simulation

A combination of ab initio quantum mechanical (QM) calculations and canonical Monte Carlo (CMC) simulations are employed to investigate possible usage of single-walled silicon nanotubes (SWSiNTs) as a novel media for hydrogen and methane adsorption as well as their separation from each other. By fitting the force field, a Morse potential model is selected as an efficient potential to describe the binding energies between both hydrogen-SiNTs and methane-SiNTs obtained from ab initio calculations. Then CMC simulations are performed to evaluate the adsorption and separation behaviors of H₂ and CH₄ on the three different sizes of SiNTs including (5, 5), (7, 7), and (9, 9) SiNTs at ambient temperatures and pressures from 1 up to 10 MPa. As a comparison, the adsorption and separation of H₂ and CH₄ on the (8, 8) CNTs which are isodiameter with (5, 5) SiNTs are also simulated. Results are indicative of remarkable enhancement of H₂ and CH₄ adsorption capacity on the SiNTs compared to the CNTs, which arise from stronger van der Waals (VDW) attractions. In the case of methane adsorption on SiNTs, the stored volumetric energy exceeds the goal of the US Freedom CAR Partnership by 2010, which can not be achieved by methane compression at such low pressures. Moreover, simulation results indicate that SiNTs preferentially adsorb methane relative to hydrogen in their equimolar mixture, which results in efficient separation of these gases from each other at 293 K.     

The Different,but Interesting Behaviors of Benzyl Systems in the Willgerodt-Kindler Reaction under Solvent-Free Conditions

On the benzyl system, bearing various functional groups, have been carried out the Willgerodt-Kindler reaction to obtain thiobenzmorpholide ( 1 ). The reactions, under solvent-free conditions, were performed in both classical (reflux, room temperature) and nonclassical (microwave) conditions to attempt our elucidation of the reactions pathways. Unlike benzylamine and benzyl mercaptan, benzyl halides give poor result due to the type of amine. The experimental results suggest that the proposed reaction pathway involves the oxidation coupling of benzylic substrates, followed by a thiolation step and an attack of the amine on the thiolated product to give ( 1 ).     

Al(HSO4)3 and Al2O3-SO3H as Efficient Catalysts for Modified Preparation of 3,4-Dihydropyrimidin-2 (1H)-ones/thiones

An environmentally friendly procedure for the preparation of dihydropyrimidinone derivatives or their sulfur analogues under thermal solvent-free conditions in the presence of aluminium hydrogen sulfate [Al(HSO₄)₃] and alumina sulfuric acid (Al₂O₃-SO₃H) as heterogeneous catalysts was developed.     

钒取代的杂多酸催化一锅四组分Dakin-West反应合成β-乙酰氨基酮(英文)

The multicomponent condensation of an aryl aldehyde,acetyl chloride,acetonitrile,and enolizable ketone as one-pot synthesis of β-acetamido ketones in high yields was investigated using commercial,non-corrosive,and environmentally benign Keggin and Wells-Dawson heteropolyacid catalysts.The best catalyst was H5PW10V2O40.The methodology used simple experimental conditions,and the short reaction times and high yields indicate it is a useful strategy for the large scale synthesis of β-acetamido ketones.     

Catalyst-free,aqueous and highly diastereoselective synthesis of new 5-substituted 1H-tetrazoles via a multi-component domino Knoevenagel condensation/1,3 dipolar cycloaddition reaction

An approach for the synthesis of new 5-substituted-tetrazoles via multi-component domino Knoevenagel condensation/1,3 dipolar cycloaddition reaction of carbonyl compounds, malononitrile and sodium azide in water without assistance of any catalyst has been reported. This general protocol provides a wide variety of 5-substituted 1H-tetrazoles in good yields under mild reaction conditions.     

Cobalt(II)-selective membrane electrode based on N,N′-di(thiazol-2-yl)formimidamide

A new PVC-membrane electrode for Co²⁺ ions based on N,N′-di(thiazol-2-yl)formimidamide (TF) as membrane carrier has been developed. The electrode resulted in Nernstian response (29.5?±?0.4?mV decade^?1) for Co²⁺ ion over a wide concentration range (2.5?×?10^?7 ?1.0?×?10^?1?M) with a detection limit of 6.1?×?10^?8?M. The sensor has a response time of about 10?s, and can be used for at least 2 months without observing any deviation from the Nernstain response. The electrode revealed good selectivity towards cobalt(II) ion over a wide variety of alkali, alkaline earth, transition, and heavy metal ions and could be used in the pH range 2.0–7.0. The electrode was used for determination of Co²⁺ in real samples.     

Do we know the mass of a black hole? Mass of some cosmological black hole models

Using a cosmological black hole model proposed recently, we have calculated the quasi-local mass of a collapsing structure within a cosmological setting due to different definitions put forward in the last decades to see how similar or different they are. It has been shown that the mass within the horizon follows the familiar Brown–York behavior. It increases, however, outside the horizon again after a short decrease, in contrast to the Schwarzschild case. Further away, near the void, outside the collapsed region, and where the density reaches the background minimum, all the mass definitions roughly coincide. They differ, however, substantially far from it. Generically, we are faced with three different Brown–York mass maxima: near the horizon, around the void between the overdensity region and the background, and another at cosmological distances corresponding to the cosmological horizon. While the latter two maxima are always present, the horizon mass maxima is absent before the onset of the central singularity.