A theory of mode of action of azolylalkylquinolines as DNA binding agents using automated flexible ligand docking

Azolylalkylquinolines (AAQs) are a family of quinolines with varying degrees of cytotoxic activity (comparable or moderately superior to adriamycin in some cases) developed in the past decade in our group where their exact mode of action is still unclear. In this study the most probable DNA binding mode of AAQs was investigated employing a novel flexible ligand docking approach by using AutoDock 3.0. Forty-nine AAQs with known experimental inhibitory activity were docked onto d(CGCAAATTTGCG)(2), d(CGATCG)(2) and d(CGCG)(2) oligonucleotides retrieved from the Protein Data Bank (PDB IDs: 102D, 1D12 and 1D32, respectively) as the representatives of the three plausible models of interactions between chemotherapeutic agents and DNA (groove binding, groove binding plus intercalation and bisintercalation, respectively). Good correlation (r(2)=0.64) between calculated binding energies and experimental inhibitory activities was obtained using groove binding plus intercalation model for phenyl-azolylalkylquinoline (PAAQ) series. Our findings show that the most probable mode of action of PAAQs as DNA binding agents is via intercalation of quinolinic moiety between CG base pairs with linker chain and azole moiety binding to the minor groove.     

An Immune-based Genetic Algorithm with Reduced Search Space Coding for Multiprocessor Task Scheduling Problem

Multiprocessor task scheduling is an important problem in parallel applications and distributed systems. In this way, solving the multiprocessor task scheduling problem (MTSP) by heuristic, meta-heuristic, and hybrid algorithms have been proposed in literature. Although the problem has been addressed by many researchers, challenges to improve the convergence speed and the reliability of methods for solving the problem are still continued especially in the case that the communication cost is added to the problem frame work. In this paper, an Immune-based Genetic algorithm (IGA), a meta-heuristic approach, with a new coding scheme is proposed to solve MTSP. It is shown that the proposed coding reduces the search space of MTSP in many practical problems, which effectively influences the convergence speed of the optimization process. In addition to the reduced search space offered by the proposed coding that eventuate in exploring better solutions at a shorter time frame, it guarantees the validity of solutions by using any crossover and mutation operators. Furthermore, to overcome the regeneration phenomena in the proposed GA (generating similar chromosomes) which leads to premature convergence, an affinity based approach inspired from Artificial Immune system is employed which results in better exploration in the searching process. Experimental results showed that the proposed IGA surpasses related works in terms of found makespan (20% improvement in average) while it needs less iterations to find the solutions (90% improvement in average) when it is applied to standard test benches.     

Reduction of Noise from Disc Brake Systems Using Composite Friction Materials Containing Thermoplastic Elastomers (TPEs)

Attempts have been made for the first time to prepare a friction material with the characteristic of thermal sensitive modulus, by the inclusion of thermoplastic elastomers (TPE) as viscoelastic polymeric materials into the formulation in order to the increase the damping behavior of the cured friction material. Styrene–butadiene–styrene (SBS), styrene–ethylene–butylene–styrene (SEBS) and nitrile rubber/polyvinyl chloride (NBR/PVC) blend system were used as TPE materials. In order to evaluate the viscoelastic parameters such as loss factor (tan δ) and storage modulus (E′) for the friction material, dynamic mechanical analyzer (DMA) were used. Natural frequencies and mode shapes of friction material and brake disc were determined by modal analysis. However, NBR/PVC and SEBS were found to be much more effective in damping behavior. The results from this comparative study suggest that the damping characteristics of commercial friction materials can be strongly affected by the TPE ingredients. This investigation also confirmed that the specimens with high TPE content had low noise propensity.     

Truck Loading and Fatigue Damage Analysis for Girder Bridges Based on Weigh-in-Motion Data

Based on data collected by weigh-in-motion (WIM) measurements, truck traffic is synthesized by type and loading condition. Three-dimensional nonlinear models for the trucks with significant counts are developed from the measured data. Six simply supported multigirder steel bridges with spans ranging from 10.67 m (35 ft) to 42.67 m (140 ft) are analyzed using the proposed method. Road surface roughness is generated as transversely correlated random processes using the autoregressive and moving average model. The dynamic impact factor is taken as the average of 20 simulations of good road roughness. Live-load spectra are obtained by combining static responses with the calculated impact factors. A case study of the normal traffic from a specific site on the interstate highway I-75 is illustrated. Static loading of the heaviest in each truck type is compared with that of the American Association of State Highway and Transportation Officials standard design truck HS20-44. Several important trucks causing fatigue damage are found.     

Nano levels detection of beryllium by a novel beryllium PVC-based membrane sensor based on 2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetra oxacyclododecine-12-carbaldehyde-12-(2,4-dinitrophenyl)hy

A novel poly(vinyl chloride)-based 2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetra oxacyclododecine-12-carbaldehyde-12-(2,4-dinitrophenyl)hy (PBC) with sodium tetraphenyl borate (NaTPB) as an anion excluder, benzyl acetate (BA), acetophenon (AP) and o-nitrophenyloctyl ether (NPOE) as plasticizing solvent mediators was prepared and investigated as a beryllium selective sensor. The best performance was observed with the membrane having the PVC–NaTPB–NPOE–PBC composition 30%:3%:62%:5%, which worked well over a very wide concentration range (1.0×10⁻⁷ M to 1.0×10⁻¹ M). The sensor exhibits a Nernstian slope of 29.9 mV per decade of Be²⁺ activity. The detection limit of the sensor is 7.0×10⁻⁸ M (630 ppt). The proposed electrode shows excellent discriminating ability toward Be²⁺ ion with regard to alkali, alkaline earth, transition and heavy metal ions. It was successfully applied to the determination of beryllium in a mineral sample.     

A primary unit commitment approach with a modification process

This paper introduces an approach to one of the most important problems in electrical power system called the Unit Commitment (UC). The proposed method PUC-MP which stands for the primary unit commitment-modification process, addresses this problem firstly by using a simple and new priority for operating the generating units in each hour, and then, using a modification process which enhances the solution quality with lower cost. The PUC-MP takes advantage of both deterministic and stochastic algorithms in its structure to solve the discrete-variable part of the UC problem for choosing a suitable combination of units in each hour, and also, continuous-variable part of it which is dispatching the operating units’ output power to the power network load economically. The latter part which is called economic dispatch (ED) has been solved using an intelligent algorithm which in turn has been customized by two new ideas to increase its efficiency. Simulation results show that this new approach even without using its modification process can be considered as an effective approach which surpasses some other popular and recently reported methods in producing near-optimal and robust solutions.     

A356 Reinforced with Nanoparticles: Numerical Analysis of Mechanical Properties

Commercial casting Al-Si (A356)-based composites reinforced with different volume fractions of alumina (Al₂O₃) nanoparticulates (average particle size 50 nm) were synthesized in this study. Particle distribution, hardness, and tensile properties in the as-cast condition were experimentally investigated. The A356 alloy composite showed an increase in hardness, elastic modulus, and tensile strength compared with monolithic alloys. Finally, a combination of an artificial neural network and the finite element method (FEM) was implemented to predict the microstructure and mechanical properties including grain size, length of silicon rods, amount of porosity, hardness, tensile yield stress, ultimate tensile stress, and elongation percentage.     

A simultaneous planning of production and scheduling operations in flexible flow shops: case study of tile industry

The aim of this paper is to study a simultaneous lot-sizing and scheduling in multi-product, multi-period flexible flow shop environments. A new mixed integer programming (MIP) model is proposed to formulate the problem. The objective function includes the total cost of production, inventory, and external supply. In this study, in case of not meeting the demand of customers, this demand should be met by foreign suppliers in higher price. Due to the high computational complexity of the studied problem, a rolling horizon heuristic (RHH) and particle swarm optimization algorithm (PSO) are implemented to solve the problem. These algorithms find a feasible and near-optimal from production planning and scheduling. Additionally, Taguchi method is conducted to calibrate the parameters of the PSO algorithm and select the optimal levels of the influential factors. The computational results show that the algorithms are capable of achieving results with good quality in a reasonable time and PSO has better objective values in comparison with RHH. Also, the real case study for tile industry with real features is applied. Sensitivity analysis is used to evaluate the performance of the model.     

Graphene network enabled high speed electrical actuation of shape memory nanocomposite based on poly(vinyl acetate)

Here strong electroactive shape memory nanocomposites were prepared by incorporating graphene nanoplatelets into poly(vinyl acetate) (PVAc ) through the simple solvent mixing method. TEM and XRD revealed that well exfoliated graphene nanoplatelets formed a continuous network throughout the matrix with a large amount of interconnectedness. Dynamic mechanical analysis showed that the inclusion of graphene significantly improves both glassy and rubbery moduli of the matrix. Furthermore, the prepared nanocomposites demonstrated a marked electrical conductivity up to 24.7 S m^?1 and thereby surprisingly rapid electrical actuation behaviour exhibiting a 100% recovery ratio in 2.5 s. Moreover, PVAc and its nanocomposites displayed scratch self‐healing capability. This work demonstrates that the PVAc /graphene nanocomposites with high modulus and excellent electroactive shape memory performance can be a promising material in many applications such as sensors and fast deployable and actuating devices. © 2016 Society of Chemical Industry