Monoids of non-halting programs with tests

In order to study the axiomatization of the if-then-else construct over possibly non-halting programs and tests, the notion of C-sets was introduced in the literature by considering the tests from an abstract C-algebra. This paper extends the notion of C-sets to C-monoids which include the composition of programs as well as composition of programs with tests. For the class of C-monoids where the C-algebras are adas a canonical representation in terms of functional C-monoids is obtained.     

Exergetic Analysis of a Cryogenic Air Separation Unit

This case study analyzes a cryogenic air separation unit (ASU) with a production of V˙O2=58,300 [m3Nh] of gaseous oxygen with a concentration greater than 98.5%, operating in Romania on a steel plant platform. The goal of the paper is to provide an extensive model of exergetic analysis that could be used in an optimization procedure when decisional parameters are changed or structural design modifications are implemented. For each key part of the Air Separation Unit, an exergetic product and fuel were defined and, based on their definition, the coefficient of performance of each functional zone was calculated. The information about the magnitude of the exergetic losses offers solutions for their future recovery. The analysis of the exergy destructions suggests when it is worth making a larger investment. The exergetic analysis of the compression area of the ASU points out an exergy destruction and loss of 37% from the total plant’s electrical energy input. The exergy loss with the heat transferred to the cooling system of compressors can be recovered; for the exergy destruction portion, the challenge between investment and operating costs should be considered. The exergy destruction of the air separation columns found the High Pressure Column (HPC) to be more destructive than the Low Pressure Column. The share of the exergy destruction in the total plant’s electrical energy input is 8.3% for the HPC. The local COP of the HPC, calculated depending on the total exergy of the local product and fuel, is 62.66%. The calculus of the air separation column is performed with the ChemSep simulator.     

One-pot microwave assisted preparation of pyrazoloquinazolinone libraries

The novel solution-phase synthesis of an array of biologically relevant pyrazoloquinazolinones in a simple microwave driven one pot procedure is revelaed. Transformations are carried out in good to excellent yield by condensation of alpha-cyano-ketones and 2-hydrazino-benzoic acids. Subsequent microwave irradiation affords pyrazoloquinazolinones with six points of potential diversification. The protocol described represents a very attractive solution phase procedure for the rapid generation of arrays of such functionalized cores, further demonstrating the growing importance of economic and enabling complexity generating chemistries in the lead discovery arena.     

Rational selection of structurally diverse natural product scaffolds with favorable ADME properties for drug discovery

Natural product analogs are significant sources for therapeutic agents. To capitalize efficiently on the effective features of naturally occurring substances, a natural product-based library production platform has been devised at Aurigene for drug lead discovery. This approach combines the attractive biological and physicochemical properties of natural product scaffolds, provided by eons of natural selection, with the chemical diversity available from parallel synthetic methods. Virtual property analysis, using computational methods described here, guides the selection of a set of natural product scaffolds that are both structurally diverse and likely to have favorable pharmacokinetic properties. The experimental characterization of several in vitro ADME properties of twenty of these scaffolds, and of a small set of designed congeners based upon one scaffold, is also described. These data confirm that most of the scaffolds and the designed library members have properties favorable to their utilization for creating libraries of lead-like molecules.These authors have contributed equally to this work.     

Modeling,simulation and control a hydraulic servo system

Hydraulic actuators are widely used in industrial applications due to several advantages like large force and torque, high power to weight ratio, rapid and accurate response. In this paper a nonlinear model of a hydraulic servo system is developed by means of the associated differential equations and then simulated using Matlab techniques. The model describes the behavior of a servo system FESTO TP511 with MOOG-DDV633 servovalve and includes the nonlinearities of friction forces, valve dynamics, oil compressibility and load influence. The nonlinear model is used to design an optimal controller based on estimated state parameters through simulation. A digital control platform based on Atmel ATmega8535 microcontroller is used to compare the behavior of hydraulic system under PD and optimal control. The control platform was designed like an interface between PC and process: the control algorithm runs on PC and the digital platform assures amplifying, filtering and data communication functions. Both simulation and experimental results are provided to show the effectiveness of the proposed model and control method. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Optimal Design of 2 DOF Parallel Kinematics Machines

The aim of this paper is to show the usefulness of the multicriteria approach to optimize the Parallel Kinematic Machines (PKM). Variations of the kinematic performances index remain not constant throughout workspace. Aiming to deal at the same time with multiple criteria in optimal design of PKM, we have developed a Multi-Objective Genetic Algorithm (MOGA) using concepts of Pareto optimality and niching techniques. The obtained results have shown that the use of MOGA in such kind of optimization problem enhances the quality of the optimization outcome, providing a better and more realistic support for the decision maker. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

The development of phosphinoamine–Pd(II)–imidazole complexes: implications in room‐temperature Suzuki–Miyaura cross‐coupling reaction

The reaction of N‐methylimidazole (N‐MeIm) and N‐butylimidazole (N‐BuIm) with the complexes [PdCl₂(PPh₂py–P,N)] and [PdCl₂(PPh₂Etpy–P,N)] in the presence of NH₄PF₆ under N₂ at room temperature afforded four new cationic Pd(II) complexes [PdCl(PPh₂py–P,N)(N‐MeIm)](PF₆) ( 1 ), [PdCl(PPh₂py–P,N)(N‐BuIm)](PF₆) ( 2 ), [PdCl(PPh₂Etpy–P,N)(N‐MeIm)](PF₆) ( 4 ) and [PdCl(PPh₂Etpy‐P,N)(N‐BuIm)](PF₆) ( 5 ) in good yields, where PPh₂py is 2‐(diphenylphosphino)pyridine and PPh₂Etpy is 2‐{2‐(diphenylphosphino)ethyl}pyridine). The complexes were fully characterized. The catalytic activities of these complexes were investigated for Suzuki–Miyaura cross‐coupling reactions at room temperature. Complex 2 exhibited excellent activity compared to other analogs. Copyright © 2013 John Wiley & Sons, Ltd.