Three New Clerodane Diterpene Derivatives from Casearia Membranacea

Three new clerodane diterpene derivatives were isolated from the leaves of Casearia membranacea Hance collected in Taiwan. The isolated metabolites were identified as caseamembrins P (1), Q (2), and R (3). Identification of the structures was based on detailed analysis of the spectral data, especially 2D NMR.     

1,4‐Dioxo‐1,4‐dihydronaphthalene‐2,3‐dicarbonitrile and 1,1,2,2‐Tetracyanoethene in Heterocyclization

This survey is mainly concerned with selected reactions of 1,4‐dioxo‐1,4‐dihydronaphthalene‐2,3‐dicarbonitrile and 1,1,2,2‐tetracyanoethene, which have use or potential use in heterocyclic synthesis.     

He-Ne laser-induced improvement in biochemical, physiological, growth and yield characteristics in sunflower (Helianthus annuus L.)

The water-soaked seeds of sunflower were exposed to low power continuous wave He-Ne laser irradiation of energies 0, 100, 300 and 500 mJ to evaluate the effect on various biochemical, physiological, growth and yield parameters of sunflower. The experiments which consisted of four replicates arranged in a completely randomized design (CRD) were carried out under the greenhouse conditions. The physiological attributes like, photosynthetic rate (A), transpiration rate (E), intrinsic CO(2) concentration (C(i) ), stomatal conductance (g(s)), chlorophyll a and b contents, relative membrane permeability and leaf water (ψ(w)), osmotic (ψ(s)) and turgor (ψ(p)) potentials, relative water contents and leaf area increased significantly as compared to control due to He-Ne treatment of seeds. The activities of superoxide dismutase, peroxidase and catalases and contents of total soluble proteins, malondialdehyde, proline and leaf total phenolic also increased due to laser treatment. Significant increase in growth parameters of sunflower like shoot fresh and dry masses, root fresh and dry masses, root and shoot lengths, number of leaves per plant and stem diameter has also been observed. The contents of K, Ca and Mg in shoot and root were also increased and an overall increase of up to 28.12% was observed due to laser treatment.     

Synthesis, reactions and biological evaluation of some new naphtho[2,1-b]furan derivatives bearing a pyrazole nucleus

Vilsmeier formylation of 2-(1-phenylhydrazonoethyl)naphtho[2,1-b]furan (2) gave 3-naphtho[2,1-b]furan-2-yl-1-phenyl-1H-pyrazole-4-carbaldehyde (3), which was reacted with C- and N-nucleophiles to afford naphthofuranpyrazol derivatives 4-8. Treatment of 2-[(3-(naphtho[2,1-b]furan-2-yl)-1-phenyl-1H-pyrazol-4-yl)methylene]-malononitrile (4a) with reactants having active hydrogen and Et?N gave the corresponding pyrazoline, pyran and chromene addition product derivatives 10, 12 and 13, consisting of three different connected heterocyclic moieties. Reaction of 1-((3-(naphtho[2,1-b]furan-2-yl)-1-phenyl-1H-pyrazol-4-yl) methylene)-2-phenylhydrazone (6b) with AcONa and ethyl bromoacetate or chloroacetone afforded the thiazolidinone and methylthiazole derivatives 14 and 15, respectively. In addition, intramolecular cyclization of 6d with Ac?O afford the corresponding 1,3,4-thiadiazol-2-yl acetamide derivative 16. The structures of the synthesized compounds were confirmed by IR, 1H-NMR/13C-NMR and mass spectral studies. Compound 14 showed promising effects against the tested Gram positive and negative bacteria and fungi.     

Analysis of unsteady gas–liquid flows in a rectangular tank: Comparison of Euler–Eulerian and Euler–Lagrangian simulations

We study the dynamics of gas–liquid flows experimentally and computationally in a rectangular bubble column where the gas source is introduced at the corner. The flow in this reactor is complex and inherently unsteady in nature. The two-dimensional liquid phase velocity field is calculated by an Eulerian approach solving the unsteady Reynolds Averaged Navier Stokes equations. The conservation equations are closed using a two parameter turbulence model. The two-way coupling was accounted for by adding source terms in the conservation equations of the continuous phase to take into account the interaction with the dispersed phase. Bubble tracking is achieved through a Lagrangian approach. Here the equations of motion are solved taking into account the drag, pressure, buoyancy and gravity forces. The time-averaged flows along with the variables which characterize turbulence are analyzed for a wide range of gas flow-rates using Euler–Lagrangian simulations. These simulation predictions are validated with Euler–Eulerian simulations where the gas-phase distribution is captured as a void fraction and PIV experiments. The motion of bubbles induces turbulence in the flow. The applicability of two parameter models for turbulence like the standard k–ε model on time-averaged flow properties is addressed. From the results of the time averaged velocity field, turbulence intensity, turbulent viscosity and gas hold-up profiles, it is concluded that the Euler–Lagrangian model is applicable at lower gas flow-rates. The Euler–Eulerian approach was found to be valid at lower as well as higher gas flow-rates.     

In Silico Approach Using Free Software to Optimize the Antiproliferative Activity and Predict the Potential Mechanism of Action of Pyrrolizine-Based Schiff Bases

In the current study, a simple in silico approach using free software was used with the experimental studies to optimize the antiproliferative activity and predict the potential mechanism of action of pyrrolizine-based Schiff bases. A compound library of 288 Schiff bases was designed based on compound 10, and a pharmacophore search was performed. Structural analysis of the top scoring hits and a docking study were used to select the best derivatives for the synthesis. Chemical synthesis and structural elucidation of compounds 16a–h were discussed. The antiproliferative activity of 16a–h was evaluated against three cancer (MCF7, A2780 and HT29, IC₅₀ = 0.01–40.50 μM) and one normal MRC5 (IC₅₀ = 1.27–24.06 μM) cell lines using the MTT assay. The results revealed the highest antiproliferative activity against MCF7 cells for 16g (IC₅₀ = 0.01 μM) with an exceptionally high selectivity index of (SI = 578). Cell cycle analysis of MCF7 cells treated with compound 16g revealed a cell cycle arrest at the G₂/M phase. In addition, compound 16g induced a dose-dependent increase in apoptotic events in MCF7 cells compared to the control. In silico target prediction of compound 16g showed six potential targets that could mediate these activities. Molecular docking analysis of compound 16g revealed high binding affinities toward COX-2, MAP P38α, EGFR, and CDK2. The results of the MD simulation revealed low RMSD values and high negative binding free energies for the two complexes formed between compound 16g with EGFR, and CDK2, while COX-2 was in the third order. These results highlighted a great potentiality for 16g to inhibit both CDK2 and EGFR. Taken together, the results mentioned above highlighted compound 16g as a potential anticancer agent.     

Ultrafast diagnosis of the genetic-related disorders using the combined technologies of multiplex PCR and multichannel microchip electrophoresis.

For the diagnosis of unexplained male infertility a multiplex PCR for 6 markers, which are well-known as candidate genes for studying male infertility and located on the human Y-chromosome, has been designed. The multiplex PCR products have been separated on a 12 channel microchip electrophoresis system, which can analyze different samples simultaneously. By combining the technologies of multiplex PCR with multichannel microchip electrophoresis, the number of the DNA markers that can be screened simultaneously is increased to be 72 marker (12 x 6) in a single run while the electrophoresis analysis time is reduced to be only 180 s.     

Converging spherical and cylindrical shocks with zero temperature gradient in the rear flow field

Résumé Nous avons étudié les ondes de choc sphériques et cylindriques convergentes près du centre (ou de l'axe) de l'implosion, lorsque celles-ci sont devenues intenses et que l'écoulement qui les suit est devenu «semblable à lui-même», ayant «oublié» les conditions initiales. Un tel écoulement devient probablement isotherme à cause de l'échange thermique intense par conduction ou par rayonnement. Nous avons donc étudié un écoulement isotherme à un moment donné, plutôt que l'écoulement adiabatique habituellement supposé (Guderley, 1942). Les deux genres d'écoulement sont comparés. Nous avons calculé l'exposant de la loi de la propagation des ondes de choc par la règle caractéristique de Whitham (1958) pour des valeurs différentes de =c _p/c _v; nous l'avons comparé avec l'exposant exact obtenu par l'intégration numérique des équations de similarité. Les deux valeurs ne concordent pas aussi bien que lorsque l'on admet que l'écoulement qui suit l'onde de choc est adiabatique.