Investigations on the structure of 4-methyldihydro-1,3,4-benzotriazepin-5-ones. Tautomer reassignment

The tautomerism of 4-methyldihydro-1,3,4-benzotriazepin-5-ones (2,3) is re-investigated by means of X-ray diffraction and quantum chemical calculations. The data revealed that the model compound (2a) exists in the amidrazone 1,4-dihydro tautomeric form (A), but not in the alternate 3,4-dihydro tautomer (B) as was previously reported.     

Cyclodextrin-assisted capillary electrophoresis for determination of the cyclic nitramine explosives RDX,HMX and CL-20 comparison with high-performance liquid chromatography

A sulfobutyl ether-beta-cyclodextrin-assisted electrokinetic chromatographic method was developed to rapidly resolve and detect the cyclic nitramine explosives 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaaza-isowurtzitane (CL-20), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and their related degradation intermediates in environmental samples. Development of the electrophoretic method required the measurement of the aqueous solubility of CL-20 which was determined to be 3.59 +/- 0.74 mg/l at 25 degrees C (95% confidence interval, n=3). The performance of the method was then compared to results obtained from existing high-performance liquid chromatography methods including US Environmental Protection Agency method 8330.     

Simplified Method the Determination of Multiple Pesticides Residues in Water by Capillary Column Chromatography

Pesticides occur trace levels in water. The determination of pesticide residues involves complex methodologies composed of different analytical steps. Multiresidue analysis has been applied successfully to analyses for Pyrethroids, Organohalogens, Organophosphates, and Carbamatesl561 in agricultural products.     

First-order optimization algorithms via inertial systems with Hessian driven damping

For controlled discrete-time stochastic processes we introduce a new class of dynamic risk measures, which we call process-based. Their main feature is that they measure risk of processes that are functions of the history of a base process. We introduce a new concept of conditional stochastic time consistency and we derive the structure of process-based risk measures enjoying this property. We show that they can be equivalently represented by a collection of static law-invariant risk measures on the space of functions of the state of the base process. We apply this result to controlled Markov processes and we derive dynamic programming equations. We also derive dynamic programming equations for multistage stochastic programming with decision-dependent distributions.

     

Volumetric properties and viscosities of the 2-pyrrolidone + 1,2-propanediol + water ternary system and its binary constituents at T = 313.15 K

Densities and viscosities of ternary mixtures of 2-pyrrolidone + 1,2-propanediol + water and corresponding binary mixtures of 1,2-propanediol + water, 2-pyrrolidone + water and 2-pyrrolidone + 1,2-propanediol have been measured over the whole composition range at 313.15 K. From the obtained data, the excess molar volumes (V^E), the deviations in viscosity (Δη) and the excess Gibbs free energy of activation (ΔG^?E) have been calculated. The V^E, Δη and ΔG^?E results were correlated and fitted by the Redlich–Kister equation for binary mixtures and by the Cibulka equation for ternary mixtures, as a function of mole fraction. Several predictive empirical relations were applied to predict the excess molar volumes of ternary mixtures from the binary mixing data.     

Drawing behavior and characteristics of laser‐drawn polypropylene fibers

Drawing behavior, flow drawing, and neck drawing, was studied for isotacticpolypropylene fibers in CO₂ laser drawing system, and the fiber structure and the mechanical properties of drawn fibers were analyzed. For a certain laser power, flow drawing of polypropylene (PP) was possible up to draw ratio (DR) 19.5. Though the drawing stress was very low, the flow‐drawn PP fiber exhibited oriented crystal structure and improved mechanical properties. On the other hand, neck‐drawing was accomplished from DR 4 to 12, with significant increase in drawing stress that enhanced the development of fiber structure and mechanical properties. Unlike PET, the drawing stress depends not only on the DR, but on irradiated laser power also. The 10–12 times neck‐drawn fibers were highly fibrillated. The fibers having tensile strength 910 MPa, initial modulus 11 GPa, and dynamic modulus 14 GPa were obtained by single‐step laser drawing system. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 398–408, 2006     

High order smoothing schemes for inhomogeneous parabolic problems with applications in option pricing

A new family of numerical schemes for inhomogeneous parabolic partial differential equations is developed utilizing diagonal Padé schemes combined with positivity–preserving Padé schemes as damping devices. We also develop a split version of the algorithm using partial fraction decomposition to address difficulties with accuracy and computational efficiency in solving and to implement the algorithms in parallel. Numerical experiments are presented for several inhomogeneous parabolic problems, including pricing of financial options with nonsmooth payoffs.© 2007 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2007     

Decay estimates for the critical semilinear wave equation

In this paper we prove that finite energy solutions (with added regularity) to the critical wave equation □u + u⁵ = 0 on ³ decay to zero in time. The proof is based on a global space-time estimate and dilation identity.     

On the Synthesis of Some 2-Arylhydrazono-3-oxothieno[2,3-b]pyridines by Reaction of Nitrilimines with 2-Mercaptonicotinic Acid

Nitrilimines prepared from N-arylhydrazono chlorides reacted with 2-mercaptonicotinic acid yielding the corresponding addition products, 2-[(2-oxo-1-arylhydrazonopropan-1-yl)mercapto] nicotinic acids, which were treated with 1,1-carbonyldiimidazole in THF affording by cyclocondensation the corresponding hitherto unknown 2-arylhydrazono-3-oxothieno[2,3-b]pyridines.