Computational design of new organic (D–π–A) dyes based on benzothiadiazole for photovoltaic applications,especially dye-sensitized solar cells

Research on Chemical Intermediates - A theoretical study on four organic dyes based on bis(4-hexyloxy)triphenylamine as donor and electron acceptor cyanoacrylic acid with a...     

Synthesis of New Pyrazolo[1.5.4-de]quinoxalines

New pyrazolo[1.5.4-de]quinoxaline derivatives were prepared by the action of 7-aminoindazole 1 on diethyl and dimethyl acetylene dicarboxylates. The structures of the obtained compounds and the direction of cyclization were investigated through a crystallographic study of compound 2. Further alkylation, hydrogenation, and bromination were also explored. The action of potassium thiocyanate on the obtained halo product led to a tetracyclic compound of 1.3-thiazolo[3.4-a]pyrazolo[1.5.4-de]quinoxaline series.     

Hysteresis suppression for primary and subharmonic 3:1 resonances using fast excitation

Nonlinear Dynamics - We analyze the effect of a fast harmonic excitation on hysteresis and on entrainment area in a forced van der Pol–Duffing oscillator near the primary and the 3:1...     

Identification of source terms in wave equation with dynamic boundary conditions

This paper studies an inverse hyperbolic problem for the wave equation with dynamic boundary conditions. It consists of determining some forcing terms from the final overdetermination of the displacement. First, the Fréchet differentiability of the Tikhonov functional is studied, and a gradient formula is obtained via the solution of an associated adjoint problem. Then, the Lipschitz continuity of the gradient is proved. Furthermore, the existence and the uniqueness for the minimization problem are discussed. Finally, some numerical experiments for the reconstruction of an internal wave force are implemented via a conjugate gradient algorithm.     

Quasi-Periodic Solutions and Stability for a Weakly Damped Nonlinear Quasi-Periodic Mathieu Equation

Quasi-Periodic (QP) solutions are investigated for a weakly dampednonlinear QP Mathieu equation. A double parametric primary resonance(1:2, 1:2) is considered. To approximate QP solutions, a double multiple-scales method is applied to transform the original QP oscillator to anautonomous system performing two successive reductions. In a first step,the multiple-scales method is applied to the original equation to derive afirst reduced differential amplitude-phase system having periodiccomponents. The stability of stationary solutions of this reduced systemis analyzed. In a second step, the multiple-scales method is applied again tothe first reduced system (RS) to obtain a second autonomous differentialamplitude-phase RS. The problem for approximating QP solutions of theoriginal system is then transformed to the study of stationary regimesof the induced autonomous second RS. Explicit analytical approximationsto QP solutions are obtained and comparisons to numerical integrationare provided.     

Inhibition efficiency and adsorption mechanism of 4-aminobenzoic acid for copper corrosion in nitric acid medium: a combined experimental and theoretical investigation

Structural Chemistry - A combined experimental and theoretical study is presented to predict and analyze the inhibition efficiency and adsorption mechanism of 4-aminobenzoic acid molecule for...     

Survey of Phenolic Acids,Flavonoids and In Vitro Antioxidant Potency Between Fig Peels and Pulps: Chemical and Chemometric Approach

In the present study, chromatic coordinates, phenolic acids, flavonoids and antioxidant capacity assessed by 1,1-diphenyl-2-picrylhydrazyl (DPPH), 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonate (ABTS) and lipid peroxidation inhibition capacity (LPIC) essays and their relative IC50 were investigated in 25 fig cultivars growing in Morocco. The aims of this study were to determine (i) the variation in these compounds among light and dark-colored cultivars, (ii) their partitioning between fruit peel and pulp and (iii) to display network connections among these variables. Twelve phenolic compounds (PCs) were isolated in peel extract versus eight in pulp samples. Anthocyanins, mainly cyanidin-3,5-diglucoside and cyanidin-3-O-rutinoside, were the predominant compounds in peels, where the mean concentrations were 75.90 ± 18.76 and 77.97 ± 18.95 µg/g dw, respectively. On the other hand, (−)-epicatechin and cyanidin-3-O-rutinoside were the major compounds in the pulp extracts, where the mean values were 5.23 ± 4.03 and 9.01 ± 5.67 µg/g dw, respectively. A two-dimensional hierarchically clustered heatmap was applied to the dataset to explore correlations in the dataset and similarities between cultivars, without dimensionality reduction. Results showed that anthocyanins, particularly pelargonidin-3-O-rutinoside, cyanidin-3,5-diglucoside and cyanidin-3-O-rutinoside, were the main contributors to the peels’ free radical scavenging capacity. This capacity was particularly higher in the peel of dark-colored figs compared to the fruit pulp. The local cultivar “INRA 1301” showed the most promising phenolic profile due to its very high levels of almost all detected PCs, especially (−)-epicatechin, quercetin-3-O-rutinoside, quercetin-3-O-glucoside, cyanidine-3,5-diglucoside, cyanidine-3-O-rutinoside and pelargonidin-3-O-rutinoside (54.66, 141.08, 35.48, 494.08, 478.66, 12.56 µg/g dw, respectively). Having the darkest figs in the collection (L* = 25.72, c* = 22.09 and h° = 20.99), this cultivar has also combined promising IC50 values, which were of 19.85, 40.58 and 124.78 µg/mL for DPPH, ABTS and LPIC essays, respectively.     

Effect of quasi-periodic gravitational modulation on the convective instability in Hele-Shaw cell

The aim of the present paper is to examine the effect of a quasi-periodic gravitational modulation on the onset of convective instability in Hele-Shaw cell. The quasi-periodic modulation considered here consists in a modulation having two incommensurate frequencies. This study is an extension of a previous work by Aniss et al. [Asymptotic study of the convective parametric instability in Hele-Shaw cell, Phys. Fluids 12 (2) (2000) 262-268] in which only a periodic gravitational modulation was considered. We have shown that for Pr=O(1) or Pr?1, the gravitational modulation has no effect on the convective threshold as expected. However, for Pr=O(ε²), it turns out that a modulation with two incommensurate frequencies has a stabilizing or a destabilizing effect strongly depending on the frequencies ratio.     

Quasi-periodic bursters and chaotic dynamics in a shallow arch subject to a fast–slow parametric excitation

Nonlinear Dynamics - In this paper, various nonlinear dynamics of a one-degree-of-freedom shallow arch model are investigated. The arch is subject to an imposed displacement of its support that is...