Synthesis, spectroscopic characterization and structure-activity relationship of some phosphoramidothioate pesticides

In this work, some phosphoramidothioates (PATs) with the general formula of (CH₃O)₂P(S)X and (CH₃O)(CH₃S)P(O)X, where, X = NH₂ (1 & 6), NH(CH₃) (2 & 7), N(CH₃)₂ (3 & 8), N(Et)₂ (4 & 9), (CH₃CH₂O)₂P(S)NH(CH₃) (5) and (CH₃CH₂O)(CH₃CH₂S)P(O)NH(CH₃) (10), were synthesized and characterized by ³¹P, ³¹P{¹H}, ¹³C and ¹H NMR spectroscopy. The ability of the compounds to inhibit AChE was predicted by PASS software (version 1.193). They were also experimentally evaluated by a modified Ellman??s assay. The structure-activity relationship (SAR) between IC50 and some physico-chemical properties such as lipophilicity (logP), electronic and steric effects of the compounds was studied. The logP values were experimentally determined by the shake-flask (gas chromatography) method. Inhibitory potency for the compounds 1?C10 was 1 (3.38 mM) > 2 (3.97 mM) > 3 (4.75 mM) > 4 (6.00 mM) > 5 (5.51 mM) > 6 (0.07 mM) > 7 (0.23 mM) > 8 (0.39 mM) > and 9 (0.55 mM) > 10 (0.51 mM), respectively. IC₅₀ and logP parameters of the P=O moiety were more than the P=S moiety in PAT analogues.     

Hydroelastic analysis of water impact of flexible asymmetric wedge with an oblique speed

Current paper deals with hydroelastic impact of asymmetric and symmetric wedge sections with oblique speed into calm water. It is aimed to provide a better insight regarding fluid–structure interaction of the wedge sections of a high-speed craft into water in more realistic condition, in the presence of heel angle and oblique speeds. The defined problem is numerically investigated by coupled Finite Volume Method and Finite Element Method under two-way approach consideration. Accuracy of the proposed model is assessed in different steps. The results of current method are compared against previous experimental, numerical and theoretical methods and good agreement is displayed in these comparisons. Subsequently, the method is used in order to examine the fluid and structure behavior during the elastic impact of the wedge into water. Accordingly, four different physical situations are simulated. In the first part, symmetric impact with no oblique speed is simulated. The results of this part show fluctuations in vertical force and pressure of the midpoint during the impact time. Also, the relation of deadrise with deflection and pressure is observed in this part. In the second part, heel angle is also taken into consideration. It is concluded that the pressure and deflections at the right side of the wedge reduce, but these parameters increase at the left side. Moreover, it is observed that, the pressure at the midpoint of the left side of the wedge with deadrise angle of 10°, becomes negative, when the wall of the flexible wedge reaches its largest deflection. It is also observed that, the pressure at left side of the wedge with deadrise angle of 20°, reaches zero. Such behavior does not occur for the wedges of 30° and 45° deadrise angles. In the third part of simulations, oblique water entry of a flexible wedge of 20° deadrise angle is simulated, and no heel angle is considered. Harmonic behavior is observed for the vertical force, horizontal force, pressure of the midpoint and its deflection. First peaks of all of these variables are larger than the second peak. The obtained results lead us to conclude that an increase in oblique speed yields larger deflection and pressure at the right side. Meanwhile, no significant effect is observed for the left side of the wedge. Also, larger oblique speed is found to yield larger forces and angular moment. Final part of simulations involves the oblique water entry of a flexible wedge of 5° heel angle. Comparison of the results in the final part with that of third part, show that heel angle affects the pressure and deflection at both sides of the wedge. It is also observed that pressure and deflections of the left side increase, while those of right side increase. It is also seen that, similar as in the case of no heel angle, an increase in oblique speed leads to an increase of pressure and deflection at the starboard. It also leads to an increase in frequency of the vibration at right side.     

A new multiobjective procedure for solving nonconvex environmental/economic power dispatch

In this article, an improved multiobjective chaotic interactive honey bee mating optimization (CIHBMO) is proposed to find the feasible optimal solution of the environmental/economic power dispatch problem with considering operational constraints of the generators. The three conflicting and noncommensurable: fuel cost, pollutant emissions, and system loss, should be minimized simultaneously while satisfying certain system constraints. To achieve a good design with different solutions in a multiobjective optimization problem, Pareto dominance concept is used to generate and sort the dominated and nondominated solutions. Also, fuzzy set theory is used to extract the best compromise solution. The propose method has been individually examined and applied to the standard Institute of Electrical and Electronics Engineers (IEEE) 30‐bus six generator, IEEE 180‐bus 14 generator and 40 generating unit (with valve point effect) test systems. The computational results reveal that the multiobjective CIHBMO algorithm has excellent convergence characteristics and is superior to other multiobjective optimization algorithms. Also, the result shows its great potential in handling the multiobjective problems in power systems. © 2014 Wiley Periodicals, Inc. Complexity 20: 47–62, 2014     

Zeroth-Order Nonconvex Stochastic Optimization: Handling Constraints,High Dimensionality,and Saddle Points

Foundations of Computational Mathematics - In this paper, we propose and analyze zeroth-order stochastic approximation algorithms for nonconvex and convex optimization, with a focus on addressing...     

Origin of dark-channel X-ray fluorescence from transition-metal ions in water

The nonradiative dark channels in the L-edge fluorescence spectra from transition-metal aqueous solution identify the ultrafast charge-transfer processes playing an important role in many biological and chemical systems. Yet, the exact origin of such spectral dips with respect to the X-ray transmission spectrum has remained unclear. In the present study we explore the nature of the underlying decay mechanism of 2p core-excited Co(2+) in water by probing the nonradiative Auger-type electron emission channel using photoelectron spectroscopy from a liquid microjet. Our measurements demonstrate unequivocally that metal-to-water charge transfer quenches fluorescence and will inevitably lead to a dip in the total-fluorescence-yield X-ray absorption spectrum. This is directly revealed from the resonant enhancement of valence signal intensity arising from the interference of two identical final states created by a direct and Auger-electron emission, respectively.     

A new two‐stage algorithm for solving power flow tracing

This article proposed a new hybrid algorithm for solving power flow tracing (PFT) through the comparison by other techniques. This proposed hybrid strategy in detail discuses over the achieved results. Both methods use the active and reactive power balance equations at each bus to solve the tracing problem, where the first method considers the proportional sharing assumption and the second one considers the circuit laws to find the relationship between power inflows and outflows through each line, generator, and load connected to each bus of the network. Both algorithms are able to handle loop flow and loss issues in tracing the problem. A mathematical formulation is also introduced to find the share of each unit in provision of each load. These algorithms are employed to find the producer and consumer's shares on the cost of transmission for each line in different case studies. As the results of these studies show, both algorithms can effectively solve the PFT problem. © 2014 Wiley Periodicals, Inc. Complexity 21: 187–194, 2015     

A new hybrid algorithm based on optimal fuzzy controller in multimachine power system

In this article, a new methodology based on fuzzy proportional‐integral‐derivative (PID) controller is proposed to damp low frequency oscillation in multimachine power system where the parameters of proposed controller are optimized offline automatically by hybrid genetic algorithm (GA) and particle swarm optimization (PSO) techniques. This newly proposed method is more efficient because it cope with oscillations and different operating points. In this strategy, the controller is tuned online from the knowledge base and fuzzy interference. In the proposed method, for achieving the desired level of robust performance exact tuning of rule base and membership functions (MF) are very important. The motivation for using the GA and PSO as a hybrid method are to reduce fuzzy effort and take large parametric uncertainties in to account. This newly developed control strategy mixed the advantage of GA and PSO techniques to optimally tune the rule base and MF parameters of fuzzy controller that leads to a flexible controller with simple structure while is easy to implement. The proposed method is tested on three machine nine buses and 16 machine power systems with different operating conditions in present of disturbance and nonlinearity. The effectiveness of proposed controller is compared with robust PSS that tune using PSO and the fuzzy controller which is optimized rule base by GA through figure of demerit and integral of the time multiplied absolute value of the error performance indices. The results evaluation shows that the proposed method achieves good robust performance for a wide range of load change in the presents of disturbance and system nonlinearities and is superior to the other controllers. © 2014 Wiley Periodicals, Inc. Complexity 21: 78–93, 2015     

Investigation of viscosity and thermal conductivity of alumina nanofluids with addition of SDBS

The present study focused on thermal conductivity and viscosity of alumina nanoparticles, at low volume concentrations of 0.01–1.0 % dispersed in the mixture of ethylene glycol and water (mass ratio, 60:40). Sodium dodeobcylbenzene sulfonate (SDBS) was applied for better dispersion and stability of alumina nanoparticles and study of its influence on both thermal conductivity and viscosity. The thermal conductivity established polynomial enhancement pattern with increase of volume concentration up to 0.1 % while linear enhancement was obtained at higher concentrations. In addition, thermal conductivity was enhanced with the rise of temperature. However, the augmentation was negligible compared to that obtained with increase of volume concentration. In contrast, viscosity data showed remarkable reduction with increase of temperature. Meanwhile, viscosity of nanofluids enhanced with loading of alumina nanoparticles. Thermal conductivity and viscosity measurements showed higher values over theoretical predictions. Results showed SDBS at different concentrations has distinct influence on thermal conductivity and viscosity of nanofluid.     

Solution of Poisson’s equation by analytical boundary element integration

The solution of Poisson’s equation is essential for many branches of science and engineering such as fluid-mechanics, geosciences, and electrostatics. Solution of two-dimensional Poisson’s equations is carried out by BEM based on Galerkin Vector Method in which the integrals that appear in the boundary element method are expressed by analytical integration. In this paper, the Galerkin vector method is developed for more general case than presented in the previous works. The integrals are computed for constant and linear elements in BEM. By employing analytical integration in BEM computation, the numerical schemes and coordinate transformations can be avoided. The presented method can also be used for the multiple domain case. The results of the analytical integration are employed in BEM code and the obtained analytical expression will be applied to several examples where the exact solution exists. The produced results are in good agreement with the exact solution.     

Presumed Joint-PDF Modelling for Turbulent Stratified Flames

Flow, Turbulence and Combustion - Turbulence–chemistry interaction models such as the conditional moment closure and various flamelet models require a presumed Probability Density Function...