Effect of pH on the electrochemical properties of polyaniline nanoparticle suspension in strongly acidic solution: an experimental and theoretical study

Journal of Solid State Electrochemistry - A stable suspension of nanopolyaniline (nPANI) particles can be used in various applications instead of a polyaniline film. The electrochemical behavior of...     

NMR spectral analysis of strongly second-order 6-, 8-, 9- and 10- spin-systems (1H─19F, 19F─19F,and 13C─19F) in perfluorotoluyl- and tetrafluoro-pyridyl-aromatics using the lineshape method ANATOLIA

A simple to use nuclear magnetic resonance analysis method has been tested on complex ¹H, ¹⁹F, and ¹³C multiplets. This open-source line-shape analysis method analysis of total lineshape (ANATOLIA)¹ provides some significant advantages over traditional assign-iterate methods of NMR spectral analysis by avoiding false minima and progressing optimisation to the global minimum. The target molecules are 1-perfluorotol-4-yl-2-perfluorotol-4-yl-oxymethyl-1H-benzimidazole (molecule-I) and 1-tetrafluoropyrid-4-yl-2-tetrafluoropyrid-4-yl-thio-1H-benzimidazole (molecule-II) which were produced as part of a family of fluorinated drug scaffolds prepared for anticancer and antiparasitic screening. Spectra display significant second-order effects with ¹H Δδ = 3.68 and 4.67 Hz for the aromatic hydrogen “triplets”, with ¹⁹F ⁴J_AA', ⁴J_BB', ⁴J_XX', and ⁴J_YY' coupling constants range from +4.8 to −14.0 Hz and for ¹³C-isotopomers ¹⁹F Δδ of up to 111.56 Hz. A spin-system of six coupling nuclei (H_aH_bH_cH_d F_YF_Y') was analysed in 12 s, a spin-system of nine coupling fluorine nuclei (AA'BB'CCC-YY') was analysed within 2 min, and 10 coupling nuclei (XX'YY'ZZZ-BB'-H_d) was optimised in 6 min using a laptop computer. ANATOLIA was also robust enough to be able to yield accurate spectral values from inaccurate input values. In both compounds, a fluorine–fluorine coupling constant was identified between the two fluoro-aromatic rings (F_BB' and F_YY') of +4.05 and +4.67 Hz and attributed to a through-space interaction. Ab initio structure optimisations and coupling constant calculations provided useful input data for spectral analysis. A modern ¹⁹F nuclear magnetic resonance spectrum of perfluorotoluene (octafluorotoluene) and analysis from 1975 was used as a test data set to assess ANATOLIA.     

A solution procedure for the discrete time, cost and quality tradeoff problem using electromagnetic scatter search

Decisions concerning a project’s expedition, traditionally involved considerations regarding time and cost tradeoff. It was recently suggested that the quality of a project should also be taken into considerations. In this paper, we propose a meta-heuristic solution procedure for the discrete time, cost and quality tradeoff problem. This problem involves the scheduling of project activities in order to minimize the total cost of the project while maximizing the quality of the project and also meeting a given deadline. We apply a so called electromagnetic scatter search to solve this problem. In this process, we initially generate a population of feasible solutions. In so doing, we use frequency memory to well sample the feasible region. A number of these solutions are then selected and improved locally. The improved solutions are then combined to generate new set of solutions. The combination process utilizes attraction–repulsion mechanisms borrowed from the electromagnetism theory. The whole process is stopped when no significant improvement in the set of solutions are observed. The validity of the proposed solution procedure is demonstrated, and its applicability is tested on a randomly generated large and complex problem having 19,900 activities.     

An Efficient and Facile Synthesis of Quinoxaline Derivatives Catalyzed by KHSO4 at Room Temperature

Summary. A facile synthesis of quinoxaline derivatives catalyzed by KHSO₄ in very high yields at room temperature is reported.     

Pyrrole studies part 41. Reactivity of 3,4-diformyl-2,5-dimethylpyrrole with diaminoalkanes. An unusual formation of 2-azafulvenes

3,4-Diformyl-2,5-dimethylpyrrole (1) reacts with ,ω-diamino-alkanes, NH₂(CH₂)_nNH₂t' to form either the potentially tautomeric 2:2 macrocyclic adduct (7a) (8), when N = 2, or the potentially tautomeric 1:1 bicyclic adduct (18) (19), when N = 4, 5, 6, and 12. ¹H and ¹³C N.m.r. spectral data indicate that the 2-azafulvene structures predominate for both types of cycloadducts. Only polymeric material was obtained when N = 3.     

The use of Nafion-H® as an efficient catalyst for the direct conversion of primary and secondary trimethylsilyl ethers to their corresponding ethers under mild and heterogeneous conditions

Primary and secondary trimethylsilyl ethers were converted to their corresponding ethers in the presence Nafion-H® with good to excellent yields under mild and heterogeneous conditions.     

Selective Acetylation of Alcohols and Amines with Ethyl Acetate in the Presence of H<Subscript>6</Subscript>[PMo<Subscript>9</Subscript>V<Subscript>3</Subscript>O<Subscript>40</Subscript>] as the Catalyst

Summary. Acetylation of various alcohols and benzyl amine was tested in the presence of H₆[PMo₉V₃O₄₀], a mixed addenda heteropolyacid, in ethyl acetate under reflux condition. Phenols and anilines are not affected under the reaction conditions. Selective transestrification of alcohols can be achieved in the presence of phenol and aniline derivatives using this method.