A simple method for extracting both active oily and water soluble extract (WSE) from Nigella sativa (L.) seeds using a single solvent system

The current study provides a way of extraction for both active NSO and WSE from Nigella sativa seeds using 98% methanol. About 1?kg of ground seeds was macerated by 1:2.5 w/v (g/mL) for 72?hours. After rotary evaporation and 7 days of continuous drying and chilling at 50 and 4?°C, NSO and WSE were obtained at the same instant. Solubility tests of 24 solvents and 11 thin layer chromatographic analyses while 2, 2-diphenyl-1-picrylhydrazyl free radical scavenging assay of NSO (73.66) , WSE (33.32) and NSO?+?WSE (78.22) against ascorbic acid (IC50?=?4.28?mg/mL) was performed. WSE was found to be highly soluble in water and 5% NaOH exhibiting the same Rf value of 0.95 for EtOH:DMSO (9:1) against the honey. WSE has revealed more than twofold higher anti-oxidant activity than others. Formulation of WSE with Tualang honey may provide better targeted hydrophilic drug delivery systems.     

Facile and general synthesis of quaternary 3-aminooxindoles

A novel approach to the valuable quaternary 3-aminooxindole skeleton is reported on the basis of intramolecular arylation of enolates of substituted amino acids. The reaction tolerates dialkyl- and arylalkylamines as well as a range of carbon substituents (primary and secondary alkyl, aryl). The cyclization of N-indolyl-substituted substrates is accompanied by direct C-H arylation of the indole, leading to indolo-fused benzodiazepines.     

Isotopic labeling for determination of enantiomeric purity by 2H NMR spectroscopy

The use of 2H NMR spectroscopy as a tool for the analysis of enantiomeric purity is reported. Enantiopure isotopically chiral substrates bearing a monodeuterated methylene unit were prepared; introduction of an additional asymmetric center leads to diastereomers which can be distinguished by 2H NMR on a standard spectrometer. The assays allow for simple semiquantitative analysis of asymmetric transformations.     

Experimental and Computational Study of the Thermal Decomposition of 3‐Methyl‐3‐buten‐1‐ol in m‐Xylene Solution

An experimental study of the thermal decomposition of a β‐hydroxy alkene, 3‐methyl‐3‐buten‐1‐ol, in m‐xylene solution, has been carried out at five different temperatures in the range of 513.15–563.15 K. The temperature dependence of the rate constants for the decomposition of this compound in the corresponding Arrhenius equation is given by ln k (s^?1) = (25.65 ± 1.52) ? (17,944 ± 814) (kJ·mol^?1)·T^?1. A computational study has been carried out at the M05–2X/6–31+G(d,p) level of theory to calculate the rate constants and the activation parameters by the classical transition state theory. There is a good agreement between the experimental and calculated rate constants and activation Gibbs energies. The bonding characteristics of reactant, transition state, and products have been investigated by the natural bond orbital analysis, which provides the natural atomic charges and the Wiberg bond indices. Based on the results obtained, the mechanism proposed is a one‐step process proceeding through a six‐membered cyclic transition state, being a concerted and slightly asynchronous process. The results have been compared with those obtained previously by us (Struct Chem 2013, 24, 1811–1816) for the thermal decomposition of 3‐buten‐1‐ol, in m‐xylene solution. We can conclude that in the compound studied in this work, 3‐methyl‐3‐buten‐1‐ol, the effect of substitution at position 3 by a weakly activating CH₃ group is the stabilization of the transition state formed in the reaction and therefore a small increase in the rate of thermal decomposition.     

A Class of Integrable Flows on the Space of Symmetric Matrices

For a given skew symmetric real n × n matrix N, the bracket [X, Y] _N = XNY − YNX defines a Lie algebra structure on the space Sym(n, N) of symmetric n × n real matrices and hence a corresponding Lie-Poisson structure. The purpose of this paper is to investigate the geometry, integrability, and linearizability of the Hamiltonian system , or equivalently in Lax form, the equation on this space along with a detailed study of the Poisson geometry itself. If N has distinct eigenvalues, it is proved that this system is integrable on a generic symplectic leaf of the Lie-Poisson structure of Sym(n, N). This is established by finding another compatible Poisson structure. If N is invertible, several remarkable identifications can be implemented. First, (Sym(n, N), [·, ·]) is Lie algebra isomorphic with the symplectic Lie algebra associated to the symplectic form on given by N ⁻¹. In this case, the system is the reduction of the geodesic flow of the left invariant Frobenius metric on the underlying symplectic group Sp(n, N ⁻¹). Second, the trace of the product of matrices defines a non-invariant non-degenerate inner product on Sym(n, N) which identifies it with its dual. Therefore Sym(n, N) carries a natural Lie-Poisson structure as well as a compatible “frozen bracket” structure. The Poisson diffeomorphism from Sym(n, N) to maps our system to a Mischenko-Fomenko system, thereby providing another proof of its integrability if N is invertible with distinct eigenvalues. Third, there is a second ad-invariant inner product on Sym(n, N); using it to identify Sym(n, N) with itself and composing it with the dual of the Lie algebra isomorphism with , our system becomes a Mischenko- Fomenko system directly on Sym(n, N). If N is invertible and has distinct eigenvalues, it is shown that this geodesic flow on Sym(n, N) is linearized on the Prym subvariety of the Jacobian of the spectral curve associated to a Lax pair formulation with parameter of the system. If, on the other hand, N has nullity one and distinct eigenvalues, in spite of the fact that the system is completely integrable, it is shown that the flow does not linearize on the Jacobian of the spectral curve. Research partially supported by NSF grants CMS-0408542 and DMS-0604307. Research partially supported by the Swiss SCOPES grant IB7320-110721/1, 2005-2008, and MEdC Contract 2-CEx 06-11-22/25.07.2006. Research partially supported by the California Institute of Technology and NSF-ITR Grant ACI-0204932. Research partially supported by the Swiss NSF and the Swiss SCOPES grant IB7320-110721/1.