Proteolytic activity in various water-in-oil microemulsions as related to the polarity of the reaction medium

The catalytic behaviors of α-chymotrypsin and of trypsin were studied in anionic AOT-isooctane-water and cationic CTAB-ROH-isooctane-water microemulsion systems. The effects of various parameters, such as the pH and the water content expressed in terms of the molar ratio w_o = [H₂O]/[Surfactant], on the enzyme activity, were examined. The kinetic constants were calculated and it was found that in the case of trypsin the enzyme exhibited a remarkable “superactivityrd, when studied in the CTAB microemulsion systems. The effect of the alcohol cosurfactant used in these cationic systems was investigated in relation to the polarity of the reaction medium. By using the hydrophilic probe 1-methyl-8-oxyquinolinium betaine the micropolarity of the water core was determined and related to the kinetic results.     

Stochastic response determination of structural systems modeled via dependent coordinates: a frequency domain treatment based on generalized modal analysis

Generalized independent coordinates are typically utilized within an analytical dynamics framework to model the motion of structural and mechanical engineering systems. Nevertheless, for complex systems, such as multi-body structures, an explicit formulation of the equations of motion by utilizing generalized, independent, coordinates can be a daunting task. In this regard, employing a set of redundant coordinates can facilitate the formulation of the governing dynamics equations. In this setting, however, standard response analysis techniques cannot be applied in a straightforward manner. For instance, defining and determining a transfer function within a frequency domain response analysis framework is challenging due to the presence of singular matrices, and thus, the machinery of generalized matrix inverses needs to be employed. An efficient frequency domain response analysis methodology for structural dynamical systems modeled via dependent coordinates is developed herein. This is done by resorting to the Moore–Penrose generalized matrix inverse in conjunction with a recently proposed extended modal analysis treatment. It is shown that not only the formulation is efficient in drastically reducing the computational cost when compared to a straightforward numerical evaluation of the involved generalized inverses, but also facilitates the derivation and implementation of the celebrated random vibration input–output frequency domain relationship between the excitation and the response power spectrum matrices. The validity of the methodology is demonstrated by considering a multi-degree-of-freedom shear type structure and a multi-body structural system as numerical examples.

     

Novel Substituted Purine Isosteres: Synthesis,Structure-Activity Relationships and Cytotoxic Activity Evaluation

A number of pyrrolo[2,3-c]pyridines, pyrrolo[3,2-d]pyrimidines and pyrazolo[4,3-d]pyrimidines were designed and synthesized as antiproliferative agents. The target compounds possessed selected substituents in analogous positions on the central scaffold that allowed the extraction of interesting SARs. The cytotoxic activity of the new derivatives was evaluated against prostatic (PC-3) and colon (HCT116) cell lines, and the most potent analogues showed IC₅₀ values in the nM to low µM range, while they were found to be non-toxic against normal human fibroblasts (WI-38). Flow cytometric analysis of DNA content revealed that the most promising derivative 14b caused a statistically significant accumulation of PC-3 cells at G₂/M phase and induced apoptosis in PC-3 cells.     

A Variational Approximation Scheme for¶Three-Dimensional Elastodynamics¶with Polyconvex Energy

We construct a variational approximation scheme for the equations of three-dimensional elastodynamics with polyconvex stored energy. The scheme is motivated by some recently discovered geometric identities (Qin [18]) for the null Lagrangians (the determinant and cofactor matrix), and by an associated embedding of the equations of elastodynamics into an enlarged system which is endowed with a convex entropy. The scheme decreases the energy, and its solvability is reduced to the solution of a constrained convex minimization problem. We prove that the approximating process admits regular weak solutions, which in the limit produce a measure-valued solution for polyconvex elastodynamics that satisfies the classical weak form of the geometric identities. This latter property is related to the weak continuity properties of minors of Jacobian matrices, here exploited in a time-dependent setting. Accepted November 18, 2000?Published online April 23, 2001     

A new bilevel formulation for the vehicle routing problem and a solution method using a genetic algorithm

The Vehicle Routing Problem (VRP) is one of the most well studied problems in operations research, both in real life problems and for scientific research purposes. During the last 50 years a number of different formulations have been proposed, together with an even greater number of algorithms for the solution of the problem. In this paper, the VRP is formulated as a problem of two decision levels. In the first level, the decision maker assigns customers to the vehicles checking the feasibility of the constructed routes (vehicle capacity constraints) and without taking into account the sequence by which the vehicles will visit the customers. In the second level, the decision maker finds the optimal routes of these assignments. The decision maker of the first level, once the cost of each routing has been calculated in the second level, estimates which assignment is the better one to choose. Based on this formulation, a bilevel genetic algorithm is proposed. In the first level of the proposed algorithm, a genetic algorithm is used for calculating the population of the most promising assignments of customers to vehicles. In the second level of the proposed algorithm, a Traveling Salesman Problem (TSP) is solved, independently for each member of the population and for each assignment to vehicles. The algorithm was tested on two sets of benchmark instances and gave very satisfactory results. In both sets of instances the average quality is less than 1%. More specifically in the set with the 14 classic instances proposed by Christofides, the quality is 0.479% and in the second set with the 20 large scale vehicle routing problems, the quality is 0.826%. The algorithm is ranked in the tenth place among the 36 most known and effective algorithms in the literature for the first set of instances and in the sixth place among the 16 algorithms for the second set of instances. The computational time of the algorithm is decreased significantly compared to other heuristic and metaheuristic algorithms due to the fact that the Expanding Neighborhood Search Strategy is used.     

A global optimization approach for the linear two-level program

Linear two-level programming deals with optimization problems in which the constraint region is implicity determined by another optimization problem. Mathematical programs of this type arise in connection with policy problems to which the Stackelberg leader-follower game is applicable. In this paper, the linear two-level programming problem is restated as a global optimization problem and a new solution method based on this approach is developed. The most important feature of this new method is that it attempts to take full advantage of the structure in the constraints using some recent global optimization techniques. A small example is solved in order to illustrate the approach.The paper was completed while this author was visiting the Department of Mathematics of Linköping University.     

Polarity formation by a higher order interaction Markov-like chain

Vector property generation is discussed for chain growth by higher order interactions. Because of a deterministic property evolution a state space approach was used. Although not strictly Markovian, the system shows ergodic properties and convergence for a large number of attachment steps. For reasonable interaction energies attributed to increasing order, the main extra contribution to polarity formation results from interactions up to next nearest neighbours. Nonlinear equations up to third order were solved by an iterative procedure.     

Gas-chromatographische Multielementanalyse mit einfachen und fluorierten Di?thyldithiocarbamaten

Zusammenfassung Zur anorganischen Multielementanalyse ist die Gas-Chromatographie von Diäthyldithiocarbamaten geeignet. Mit einem FID können bereits Kationen im 0,6–0,06 ppm-Bereich nach Ausschütteln der wäßrigen Lösungen bestimmt werden. Di(trifluoräthyl)dithiocarbamate zeigen noch höhere Flüchtigkeiten. Eigenschaften und gas-chromatographisches Verhalten einiger dieser Chelate werden angegeben.Die Untersuchungen wurden in dankenswerter Weise durch Sachmittel der Deutschen Forschungsgemeinschaft und des Verbands der Chemischen Industrie unterstützt. Für die Gewährung eines Promotionsstipendiums sei der Friedrich-Ebert-Stiftung ebenfalls gedankt.     

A liquid derivative of 12-tungstophosphoric acid with unusually high conductivity

Surface functionalization of the solid heteropolyacid H3PW12O40 with a bulky PEG-containing quaternary ammonium cation through partial proton exchange leads to a polyoxometalate-based liquid salt with high-temperature proton conductivity ( approximately 10-3 S cm-1 at 140 degrees C) under dry conditions. The proton conductivity of the liquid salt is 4 orders of magnitude higher than that of the solid analogue under identical conditions and shows super ionic behavior as defined by Walden plot.     

Front initiation on microdesigned composite catalysts

We first briefly review the subject of spatiotemporal pattern formation on microdesigned composite catalysts. One of the most significant interaction mechanisms between different reacting domains (consisting of different metal catalysts such as Pt and Rh, coupled through surface diffusion) is the initiation of reaction fronts at the interface between them. We then explore in some detail the effect of two-dimensional composite geometry on this basic building block of composite catalyst dynamics. (c) 2002 American Institute of Physics.