Green dispersive solid-phase microextraction of melamine using crosslinked beta-cyclodextrin with citric acid followed by high-performance liquid chromatography

In this research, a green approach for dispersive solid phase microextraction was introduced for the extraction and determination of melamine in various matrices such as infant formula and hot water in a melamine bowl. In this way, a natural polar polymer called ß-cyclodextrin has been cross-linked with citric acid to create a water-insoluble adsorbent. The extraction was carried out by dispersion of the sorbent into the sample solution. The effective parameters on the extraction efficiency of the melamine, including ion strength, extraction time, sample volume, amount of absorbent, pH, type of desorption solvent, desorption time, and desorption solvent volume were optimized by one variable at a time approach. Under the optimal conditions, the method showed a good linear dynamic range for melamine in the range of 1–1000 μg/L with a coefficient of determination of 0.9985. The obtained limit of detection was 0.3 μg/L. The intra-day and inter-day relative standard deviations (n = 3) were 3.1% and 3.2% respectively. Lastly, this technique was applied to extract and determine the analyte in a melamine bowl and infant formula with acceptable and satisfactory results.     

Algorithmic dimensionality reduction for molecular structure analysis

Dimensionality reduction approaches have been used to exploit the redundancy in a Cartesian coordinate representation of molecular motion by producing low-dimensional representations of molecular motion. This has been used to help visualize complex energy landscapes, to extend the time scales of simulation, and to improve the efficiency of optimization. Until recently, linear approaches for dimensionality reduction have been employed. Here, we investigate the efficacy of several automated algorithms for nonlinear dimensionality reduction for representation of trans, trans-1,2,4-trifluorocyclo-octane conformation--a molecule whose structure can be described on a 2-manifold in a Cartesian coordinate phase space. We describe an efficient approach for a deterministic enumeration of ring conformations. We demonstrate a drastic improvement in dimensionality reduction with the use of nonlinear methods. We discuss the use of dimensionality reduction algorithms for estimating intrinsic dimensionality and the relationship to the Whitney embedding theorem. Additionally, we investigate the influence of the choice of high-dimensional encoding on the reduction. We show for the case studied that, in terms of reconstruction error root mean square deviation, Cartesian coordinate representations and encodings based on interatom distances provide better performance than encodings based on a dihedral angle representation.     

Joint Distribution of First-Passage Time and First-Passage Area of Certain Lévy Processes

Methodology and Computing in Applied Probability - Let be X(t) = x ? μt + σBt ? Nt a Lévy process starting from x >?0, where μ ≥?0, σ...     

Exploring the Role of Coinage Metalates in Trifluoromethylation: A Combined Experimental and Theoretical Study

Despite the known nucleophilic nature of [M(CF₃)₂]⁻ (M=Cu, Ag, Au) complexes, their participation in trifluoromethylation reactions of aryl halides remains unexplored. Here, for the first time, selective access to a [Cu(CF₃)₂]⁻ species is reported, which is ubiquitous in Cu-mediated trifluoromethylations, and we rationalize its complex mechanistic scenario as well as its behavior compared to its silver and gold congeners through a combination of experimental and computational approaches.     

Synergistic Catalysis: Highly Enantioselective Cascade Reaction for the Synthesis of Dihydroacridines

The first stereoselective synthesis of dihydroacridines through synergistic catalysis, achieving the final target compounds with good to excellent yields and good to excellent enantioselectivities and diastereoselectivities, is reported. The synergistic approach consists in the activation of substituted quinolines with a Lewis acid catalyst that react in a cascade fashion with activated enals in the iminium form. Mechanistic calculations support a consecutive Michael–aldol reaction, followed by dehydration.     

Effect of suspended CuO nanoparticles on mass transfer to a rotating disc electrode

The effect of suspended CuO nanoparticles on the mass transfer to a rotating disc electrode was investigated experimentally, using the electrochemical limiting diffusion current technique. The particle volume fraction was from 0.39% to 1.94%. The rotating speed ranged from 100 to 1000 rpm, which yielded the Reynolds number between 10 and 110, based on the electrochemically active disc radius. The results showed that the addition of the suspended particles increased the limiting current and the plot of log I vs. log ω resulted in linear lines, of which slopes decreased with increasing particle volume fraction. The ratio of Sh/Sh_o ranged from 1 to 1.5. The Sherwood number correlation as function of the Reynolds number and the particle volume fraction was also given.