A convenient synthesis of a selective gelatinase inhibitor as an antimetastatic agent

Compound 1, 2-(4-phenoxyphenylsulfonylmethyl)thiirane, is a potent and selective inhibitor for human gelatinases (J. Am. Chem. Soc. 2000, 122, 6799-6800), enzymes implicated in a number of diseases, including cancer. This compound is showing excellent promise in animal trials in a number of disease models. Large quantities of this compound were necessary for these studies. A convenient four-step synthetic route for compound 1 is described herein. The synthesis is amenable to scale-up to tens of grams and gives an overall yield of 57% for this important compound.     

Simultaneous Spectrophotometric Determination of Group B Vitamins Using Parallel Factor Analysis: PARAFAC

In this work, a simple and rapid analytical procedure was applied for simultaneous determination of folic acid (vitamin B₀), thiamin (vitamin B₁), riboflavin (vitamin B₂) and pyridoxal (vitamin B₆) based on the absorbance data in the pH range 2.0‐12.0 at 25 °C using parallel factor analysis (PARAFAC). The effect of the pH as the most important factor on the sensitivity of the determination was studied. The spectral data were recorded in 400‐650 nm intervals and a 2‐12 pH range for all four vitamins. The calibration set was constructed in the concentration ranges of 4‐22, 1‐20, 6‐26, and 4‐20 μg mL^?;1 for B₆,B₂,B₁ and B₀, respectively. The root mean squares errors of prediction for the prediction set, (RMSEP), are 0.65, 0.63, 1.13 and 0.34 for B₀,B₁,B₂ and B₆, respectively. The recovery percent for the validation set are in the range of 90.6 to 107.0%. The effect of the experimental conditions and diverse species were discussed. The optimum values of these factors were searched according to the relative standard deviation of the prediction set of mixtures solutions.     

A new step size rule for the superiorization method and its application in computerized tomography

Numerical Algorithms - In this paper, we consider a regularized least squares problem subject to convex constraints. Our algorithm is based on the superiorization technique, equipped with a new...     

Quantum game approach for capacity allocation decisions under strategic reasoning

From a common point of view, quantum mechanics, psychology, and decision science disciplines try to predict how unruly systems (atomic particles, human behaviors, and decision makers’ choices) might behave in the future. Effective predicting outcome of a capacity allocation game under various allocation policies requires a profound understanding as how strategic reasoning of decision makers contributes to the financial gain of players. A quantum game framework is employed in the current study to investigate how performance of allocation policies is affected when buyers strategize over order quantities. The results show that the degree of being manipulative for allocation mechanisms is not identical and adopting adaptive quantum method is the most effective approach to secure the highest fill rate and profit when it is practiced under a reasonable range of entanglement levels.

     

Hall effects and entropy generation applications for peristaltic flow of modified hybrid nanofluid with electroosmosis phenomenon

The electroosmotic peristaltic flow of modified hybrid nanofluid in presence of entropy generation has been presented in this thermal model. The Hall impact and thermal radiation with help of nonlinear relations has also been used to modify the analysis. The assumed flow is considered due to a non-uniform trapped channel. The properties of modified hybrid nanofluid model are focused with interaction of three distinct types of nanoparticles namely copper ($Cu)$, silver ($Ag$) and aluminum oxide ($A{l}_2{O}_3).$ The mathematical modeling and significances of entropy generation and Bejan number are identified. With certain flow assumptions, the governing equations are attained for optimized peristaltic electroosmotic problem. Widely used assumptions of long wave length and low Reynolds number reduced the governing equations in ordinary differential equations. The ND solver is flowed for the solution process. The physical significant of results is observed by assigning the numerical values to parameters.     

Design, synthesis, and evaluation of a mechanism-based inhibitor for gelatinase A

[structure: see text] Matrix metalloproteinases (MMPs), of which 26 are known, have been implicated in a number of pathological conditions, including tumor metastasis. We have previously described the first mechanism-based inhibitor for MMPs (J. Am. Chem. Soc. 2000, 122, 6799-6800), which in chemistry mediated by the active site zinc ion selectively and covalently inhibits MMP-2, -3, and -9. Computational analyses indicated that this selectivity in inhibition of MMPs could be improved by design of new variants of the inhibitor class. We report herein the syntheses of methyl 2-(4-{4-[(2-thiiranylpropyl)sulfonyl]phenoxy}phenyl)acetate (3) and 2-(4-{4-[(2-thiiranylpropyl)sulfonyl]phenoxy}phenyl)acetic acid (4), and show that compound 3 serves as a mechanism-based inhibitor exclusively for MMP-2. This molecule should prove useful in delineating the functions of MMP-2 in biological systems.     

Fabrication of a high sensitive glycine electrochemical sensor based on immobilization of nanostructured Ni chelidamic acid and bimetallic Au-Pt inorganic-organic hybrid nanocomposite onto glassy carbon modified electrode

In this research a novel nickel complex was used as electrocatalyst for electrooxidation of glycine. A nano-structured nickel chelidamic acid was electrodeposited on a bimetallic Au-Pt inorganic-organic hybrid nanocomposite modified electrode. The electrode possesses a three-dimensional (3D) porous network nanoarchitecture, in which the bimetallic Au-Pt NPs serving as metal nanoparticle based microelectrode ensembles are distributed in the matrix of interlaced 3,3′,5,5′-tetramethylbenzidine (TMB) organic nanofibers (NFs). Electrocatalytic oxidation of glycine on the surface of modified electrode was investigated with cyclic voltammetry method and the results showed that the nickel chelidamic acid films displayed excellent electrochemical catalytic activities towards glycine oxidation. The hydrodynamic amperometry at rotating modified electrode at constant potential versus reference electrode was used for detection of glycine. Under optimized conditions the calibration plots are linear in the concentration range 1 μM-0.75 mM and detection limit was found to be 0.3 μM.