Syntheses and Characterizations of Some New N-alkyl, Isoxazole and Dioxazole Derivatives of 5-Chloroisatin

N-alkyl and cycloadducts derivatives of 5-Chloroisatin were synthesized in good to excellent yields. The method evidences a selective N-alkylation when using 1,2-bis (2-chloroethoxy) ethane as efficient spacer at room temperature on the 5-Chloroisatin moiety. A general method for the 1,3-dipolar cycloaddition of 4-Chlorobenzaldoxime to alkynes provides a useful alternative route to get newisoxazole et dioxazole derivatives

Synthesis of 1,2,3-Triazole 5-Chloroisatin Derivatives via Copper-Catalyzed 1,3-Dipolar Cycloaddition Reactions

A facile and simple protocol for the ‘Click\u27 cycloaddition of organic azides with N-propargylchloroisatine catalyzed by CuI, produces in good yields novel of 1,4-disubstituted 1,2,3-triazoles were obtained. Compared to the uncatalyzed cycloaddition, the yields are significantly improved in the presence of CuI as catalyst, without alteration of the selectivity. The regio- and stereochemistry of the cycloadducts has been corroborated by 1H, 13C NMR spectroscopy

Numerical simulation of solitary wave propagation over a steady current

YesA two-dimensional numerical model is developed to study the propagation of a solitary wave in the presence of a steady current flow. The numerical model is based on the Reynolds-averaged Navier-Stokes (RANS) equations with a k-ε turbulence closure scheme and an internal wave-maker method. To capture the air-water interface, the volume of fluid (VOF) method is used in the numerical simulation. The current flow is initialized by imposing a steady inlet velocity on one computational domain end and a constant pressure outlet on the other end. The desired wave is generated by an internal wave-maker. The propagation of a solitary wave travelling with a following/opposing current is simulated. The effects of the current velocity on the solitary wave motion are investigated. The results show that the solitary wave has a smaller wave height, larger wave width and higher travelling speed after interacting with a following current. Contrariwise, the solitary wave becomes higher with a smaller wave width and lower travelling speed with an opposing current. The regression equations for predicting the wave height, wave width and travelling speed of the resulting solitary wave are for practical engineering applications. The impacts of current flow on the induced velocity and the turbulent kinetic energy (TKE) of a solitary wave are also investigated.National Natural Science Foundation of China Grant #51209083, #51137002 and #41176073, the Natural Science Foundation of Jiangsu Province (China) Grant #BK2011026, the 111 Project under Grant No. B12032, the Fundamental Research Funds for the Central University, China (2013B31614), and the Carnegie Trust for Scottish Universitie

Synthesis and reactivity of new heterocyclic systems derived from 5-chloro-1H-indole-2,3-dione

In this article, we described the synthesis of various derivatives of 5-Chloroisatin by the action of halogenated mono channels, benzyl chloride and methyl iodide under the conditions of phase transfer catalysis (PTC), which are widely used as a starting material for the synthesis of heterocyclic compounds and as substrates for the synthesis of drugs. In order to multiply the family heterocyclic compound from 5-Chloro-1H-indole-2,3-dione using the N-alkylation reaction which is answered in the field of organic chemistry and on which several studies were performed. The various products were determined by 1H NMR, and 13C NMR spectroscopy with good yield

A non-hybrid method for the PDF equations of turbulent flows on unstructured grids

In probability density function (PDF) methods of turbulent flows, the joint PDF of several flow variables is computed by numerically integrating a system of stochastic differential equations for Lagrangian particles. A set of parallel algorithms is proposed to provide an efficient solution of the PDF transport equation, modeling the joint PDF of turbulent velocity, frequency and concentration of a passive scalar in geometrically complex configurations. An unstructured Eulerian grid is employed to extract Eulerian statistics, to solve for quantities represented at fixed locations of the domain (e.g. the mean pressure) and to track particles. All three aspects regarding the grid make use of the finite element method (FEM) employing the simplest linear FEM shape functions. To model the small-scale mixing of the transported scalar, the interaction by exchange with the conditional mean model is adopted. An adaptive algorithm that computes the velocity-conditioned scalar mean is proposed that homogenizes the statistical error over the sample space with no assumption on the shape of the underlying velocity PDF. Compared to other hybrid particle-in-cell approaches for the PDF equations, the current methodology is consistent without the need for consistency conditions. The algorithm is tested by computing the dispersion of passive scalars released from concentrated sources in two different turbulent flows: the fully developed turbulent channel flow and a street canyon (or cavity) flow. Algorithmic details on estimating conditional and unconditional statistics, particle tracking and particle-number control are presented in detail. Relevant aspects of performance and parallelism on cache-based shared memory machines are discussed.Comment: Accepted in Journal of Computational Physics, Feb. 20, 200

Cyclosporin A Associated Helicase-Like Protein Facilitates the Association of Hepatitis C Virus RNA Polymerase with Its Cellular Cyclophilin B

BACKGROUND: Cyclosporin A (CsA) is well known as an immunosuppressive drug useful for allogeneic transplantation. It has been reported that CsA inhibits hepatitis C virus (HCV) genome replication, which indicates that cellular targets of CsA regulate the viral replication. However, the regulation mechanisms of HCV replication governed by CsA target proteins have not been fully understood. PRINCIPAL FINDINGS: Here we show a chemical biology approach that elucidates a novel mechanism of HCV replication. We developed a phage display screening to investigate compound-peptide interaction and identified a novel cellular target molecule of CsA. This protein, named CsA associated helicase-like protein (CAHL), possessed RNA-dependent ATPase activity that was negated by treatment with CsA. The downregulation of CAHL in the cells resulted in a decrease of HCV genome replication. CAHL formed a complex with HCV-derived RNA polymerase NS5B and host-derived cyclophilin B (CyPB), known as a cellular cofactor for HCV replication, to regulate NS5B-CyPB interaction. CONCLUSIONS: We found a cellular factor, CAHL, as CsA associated helicase-like protein, which would form trimer complex with CyPB and NS5B of HCV. The strategy using a chemical compound and identifying its target molecule by our phage display analysis is useful to reveal a novel mechanism underlying cellular and viral physiology

Interaction Between Convection and Pulsation

This article reviews our current understanding of modelling convection dynamics in stars. Several semi-analytical time-dependent convection models have been proposed for pulsating one-dimensional stellar structures with different formulations for how the convective turbulent velocity field couples with the global stellar oscillations. In this review we put emphasis on two, widely used, time-dependent convection formulations for estimating pulsation properties in one-dimensional stellar models. Applications to pulsating stars are presented with results for oscillation properties, such as the effects of convection dynamics on the oscillation frequencies, or the stability of pulsation modes, in classical pulsators and in stars supporting solar-type oscillations.Comment: Invited review article for Living Reviews in Solar Physics. 88 pages, 14 figure

The Use of Phage-Displayed Peptide Libraries to Develop Tumor-Targeting Drugs

Monoclonal antibodies have been successfully utilized as cancer-targeting therapeutics and diagnostics, but the efficacies of these treatments are limited in part by the size of the molecules and non-specific uptake by the reticuloendothelial system. Peptides are much smaller molecules that can specifically target cancer cells and as such may alleviate complications with antibody therapy. Although many endogenous and exogenous peptides have been developed into clinical therapeutics, only a subset of these consists of cancer-targeting peptides. Combinatorial biological libraries such as bacteriophage-displayed peptide libraries are a resource of potential ligands for various cancer-related molecular targets. Target-binding peptides can be affinity selected from complex mixtures of billions of displayed peptides on phage and further enriched through the biopanning process. Various cancer-specific ligands have been isolated by in vitro, in vivo, and ex vivo screening methods. As several peptides derived from phage-displayed peptide library screenings have been developed into therapeutics in current clinical trials, which validates peptide-targeting potential, the use of phage display to identify cancer-targeting therapeutics should be further exploited