Determination of the internal state distribution of the SD product from the S(1D)+D2 reaction

The S(1D)+D2-->SD+D reaction has been studied through a photolysis-probe experiment in a cell. S(1D) reagent was prepared by 193 nm photolysis of CS2, and the SD(X 2Pi) product was detected by laser fluorescence excitation. The nascent rotational/fine-structure state distribution of the SD(X 2Pi) product was determined. This reaction, previously studied theoretically and in a crossed molecular beam experiment, is known to proceed through formation and decay of a long-lived collision complex involving the deep well in the H2S ground electronic state. The determined SD rotational state distribution in the v=0 vibrational level was found to be approximately statistical, with a small preference for formation of the F1 (Omega=3/2) fine-structure manifold over F2 (Omega=1/2). The branching into the Lambda doublet levels was also investigated, and essentially equal populations of levels of A' and A" symmetry were found. The present results are compared with previous investigations of this reaction and the analogous O(1D)+D2 reaction.     

Integrity profiling of high throughput screening hits using LC-MS and related techniques

Integrity profiling of HTS hits is valuable for verification of the hit identity and purity. This provides early discovery researchers with more confident SAR theories. Methodology for integrity profiling of HTS hits must be high throughput, consume little material, and selectively provide structure-based data. Analytical techniques that can be utilized for integrity profiling methods are reviewed for their appropriateness in sample preparation, component separation, detection, purity quantitation, identity confirmation, and follow-up.     

Dilution reinitiated oscillations in the Bray-Liebhafsky system

The resumption of oscillatory trains in the non-oscillatory region subsequent to completion of the last oscillation, as a phenomenon interesting for the stability of any reaction which can reach the oscillatory state in principle, is analyzed here for the case of the Bray-Liebhafsky reaction. It is shown that this effect is affected by temperature, acidity, initial concentration of hydrogen peroxide and quantity of added water.

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DMAP catalyzed reaction of β-ketoesters and dimethyl acetylenedicarboxylate: efficient synthesis of polysubstituted benzenes and biaryls

A DMAP catalyzed tandem addition-cyclization-dehydration sequence involving dimethyl acetylenedicarboxylate and β-ketoesters leading to polysubstituted benzene/biaryl derivatives is presented.     

High photo and electroluminescence efficiency oligothiophenes

We report photo and electroluminescence efficiency of a thiophene oligomer functionalized to enhance its solid-state efficiency. We find that the absolute PL quantum yield is up to 37% for spin-coated thin films of the compound. The material has been used as active material in organic light-emitting diodes (LEDs). EL efficiencies up to 0.9 cd/A are demonstrated in LEDs prepared with a blend indium tin oxide and Ca–Al electrodes.     

A stabilization strategy for a reaction–diffusion system modelling a class of spatially structured epidemic systems (think globally,act locally)

A two-component reaction–diffusion system modelling a class of spatially structured epidemic systems is considered. The system describes the spatial spread of infectious diseases mediated by environmental pollution. The internal zero stabilization is investigated. We provide necessary conditions of stabilizability and sufficient conditions of stabilizability. In the affirmative case a simple feedback stabilizing control is indicated. It shows that it is possible to diminish exponentially the epidemic process, just by reducing the concentration of the pollutant in a nonempty and sufficiently large subset of the spatial domain (think globally, act locally).     

A cohesive zone model for fatigue crack growth allowing for crack retardation

A damage-based cohesive model is developed for simulating crack growth due to fatigue loading. The cohesive model follows a linear damage-dependent traction–separation relation coupled with a damage evolution equation. The rate of damage evolution is characterized by three material parameters corresponding to common features of fatigue behavior captured by the model, namely, damage accumulation, crack retardation and stress threshold. Good agreement is obtained between finite element solutions using the model and fatigue test results for an aluminum alloy under different load ratios and for the overload effect on ductile 316 L steel.     

A novel terbium composite nanoparticles: Preparation and selective fluorescence determination of chromium(VI)

A highly efficient ultrasonic-assisted method was successfully applied to prepare the strong fluorescence Tb/acetyl acetone (acac)/poly (2-Acrylamidoglycolic acid monohydrate) (PAAM) composite nanoparticles. Based on the fluorescence quenching of Tb/acac/PAAM by Cr(VI), an assay for the selective determination of Cr(VI), without separation of Cr(III), was developed. It is characteristic of very few interferences, stable fluorescence signals (at least 2 h), simple instrument (common spectrofluorometer) and simple step. Under optimal experimental conditions, the fluorescence intensity of the system is linearly proportional to the concentration of Cr(VI) in concentration range of 5-800 ng mL⁻¹ with a correlation coefficient of 0.9983. The limit of detection was found to be 0.5 ng mL⁻¹.The proposed method has been applied to the selective quantification of Cr(VI) in synthetic samples with satisfactory results.