Heuristics for solving a capacitated multiple allocation hub location problem with application in German wagonload traffic

In this paper, we present a capacitated multiple allocation hub location problem, which arose from a network design problem in German wagonload traffic. We develop heuristic solution approaches based on local improvements. We solve the problem with the heuristics and CPLEX on test data sets provided by our partner Deutsche Bahn AG. The computational results are presented and compared.     

Meshless solution of two-dimensional incompressible flow problems using the radial basis integral equation method

The two-dimensional incompressible fluid flow problems governed by the velocity–vorticity formulation of the Navier–Stokes equations were solved using the radial basis integral (RBIE) equation method. The RBIE is a meshless method based on the multi-domain boundary element method with overlapping subdomains. It solves at each node for the potential and its spatial derivatives. This feature of the RBIE is advantageous in solving the velocity–vorticity formulation of the Navier–Stokes equations since the calculated velocity gradients can be used to compute the vorticity that is prescribed as a boundary condition to the vorticity transport equation. The accuracy of the numerical solution was examined by solving the test problem with known analytical solution. Two benchmark problems, i.e. the lid driven cavity flow and the thermally driven cavity flow were also solved. The numerical results obtained using the RBIE showed very good agreement with the benchmark solutions.     

Optimization of Verapamil Drug Analysis by Excitation-Emission Fluorescence in Combination with Second-order Multivariate Calibration

Excitation emission fluorescence matrices (EEMs) of Verapamil drug were obtained by direct and by derivatization fluorescence spectroscopy. The fluorescence excitation and emission wavelengths were displaced to longer wavelengths and the fluorescence intensity was enhanced upon derivation with respect to the native fluorescence of the drug. The complete EEM of the native fluorescence of the drug and of the derivatization product were rapidly acquired by using a charged-coupled device detector (CCD), which is advantageous in terms of speed in the analysis, with respect to the use of a conventional photomultiplier detector. The EEMs were analyzed by several second-order multivariate calibration methods exploiting the second order advantage. The three-dimensional decomposition methods used, based in different assumptions about the trilinearity of the three way data structure under analysis, were parallel factor analysis (PARAFAC), bilinear least squares (BLLS), parallel factor analysis 2 (PARAFAC2) and multivariate curve resolution—alternating least squares (MCR-ALS). The determination was performed by using the standard addition approach. The figures of merit of the PARAFAC and BLLS methods were calculated, obtaining a lower limit of detection with the derivatization procedure, when compared with the direct measurement of the fluorescence of the drug. In Verapamil drug the best estimations were found with the BLLS and the MCR-ALS models. In the quantification of Verapamil in a pharmaceutical formulation the best estimation, when compared with the result obtained by the US Pharmacopeia high performance liquid chromatography approach, was obtained by direct fluorescence spectroscopy with MCR-ALS and by derivatization fluorescence spectroscopy with the PARAFAC2 model.     

Application of affinity capillary electrophoresis for charge heterogeneity profiling of biopharmaceuticals

Charge heterogeneity profiling is important for the quality control (QC) of biopharmaceuticals. Because of the increasing complexity of these therapeutic entities [1], the development of alternative analytical techniques is needed. In this work, flow‐through partial‐filling affinity capillary electrophoresis (FTPFACE) has been established as a method for the analysis of a mixture of two similar monoclonal antibodies (mAbs). The addition of a specific ligand results in the complexation of one mAb in the co‐formulation, thus changing its migration time in the electric field. This allows the characterization of the charged variants of the non‐shifted mAb without interferences. Adsorption of proteins to the inner capillary wall has been circumvented by rinsing with guanidine hydrochloride before each injection. The presented FTPFACE approach requires only very small amounts of ligands and provides complete comparability with a standard CZE of a single mAb.     

Use of Cucurbit[6]uril as Ionophore in Ion Selective Electrodes for Etilefrine Determination in Pharmaceuticals

Cucurbiturils are macrocyclic molecules and have been used with promising results in the development of electrochemical sensors and biosensors due to their main properties such as shape, selectivity, binding interactions and solubility. However, its application for the development of ion selective electrodes has been scarce. In this work, cucurbit[6]uril was used as molecular‐recognition compound for etilefrine sensing membrane with potentiometric transduction. The etilefrine selective electrode was evaluated and proposed as an alternative methodology for pharmaceutical quality control. Different membranes composition were evaluated, considering the use of different solvent mediators and the presence of anionic additives. The best membrane comprises 9.24 mmol.Kg^?1 of cucurbit[6]uril, 68.90 % (w/w) of dibutylsebacate and 30.18 % (w/w) of carboxylated polyvinyl chloride. The electrode exhibited selective cationic response toward the etilefrine in a concentration interval of more than four decades, with an slope of 57.4±0.5 mV dec^?1, a practical detection limit of (8±1)×10^?7 mol L^?1 and a low limit of linear range of (1.25±0.28)×10^?6 mol L^?1. The selectivity of the electrode towards different interfering was high. A comparative evaluation of the accuracy and precision of both procedures was done using the t‐student test (t4,12=1.135) and the Fischer test (F12,4=2.42) and compared with the tabulated ones (t4,12=1.135, F11,3=5.91) for the level of confidence of 95 %.     

Formulation of Environmentally Safe Graffiti Remover Containing Esterified Plant Oils and Sugar Surfactant

The removal of graffiti or over-painting requires special attention in order to not induce the surface destruction but to also address all of the important eco-compatibility concerns. Because of the necessity to avoid the use of volatile and toxic petroleum-based solvents that are common in cleaning formulations, much attention has recently been paid to the design of a variety of sustainable formulations that are based on biodegradable raw materials. In the present contribution we propose a new approach to graffiti cleaning formulations that are composed of newly synthesized green solvents such as esterified plant oils, i.e., rapeseed oil (RO), sunflower oil (SO), or used cooking oil (UCO), ethyl lactate (EL), and alkylpolyglucosides (APGs) as surfactants. Oil PEG-8 ester solvents were synthesized through the direct esterification/transesterification of these oils using monobutyltin(IV) tris(2-ethylhexanoate) and titanium(IV) butoxide catalysts under mild process conditions. The most efficient formulations, determined by optimization through the response surface methodology (RSM) was more effective in comparison to the reference solvents such as the so-called Nitro solvent (denoting a mixture of toluene and acetone) and petroleum ether. Additionally, the optimal product was found to be effective in removing graffiti from glass, metal, or sandstone surfaces under open-field conditions in the city of Wrocław. The performed studies could be an invaluable tool for developing future green formulations for graffiti removal.     

Diffusion Model of a Non-Integer Order PIγ Controller with TCP/UDP Streams

In this article, a way to employ the diffusion approximation to model interplay between TCP and UDP flows is presented. In order to control traffic congestion, an environment of IP routers applying AQM (Active Queue Management) algorithms has been introduced. Furthermore, the impact of the fractional controller PIγ and its parameters on the transport protocols is investigated. The controller has been elaborated in accordance with the control theory. The TCP and UDP flows are transmitted simultaneously and are mutually independent. Only the TCP is controlled by the AQM algorithm. Our diffusion model allows a single TCP or UDP flow to start or end at any time, which distinguishes it from those previously described in the literature.     

Assessment of different reconstruction techniques for implementing the NVSF schemes on unstructured meshes

Three new far‐upwind reconstruction techniques, New‐Technique 1, 2, and 3, are proposed in this paper, which localize the normalized variable and space formulation (NVSF) schemes and facilitate the implementation of standard bounded high‐resolution differencing schemes on arbitrary unstructured meshes. By theoretical analysis, it is concluded that the three new techniques overcome two inherent drawbacks of the original technique found in the literature. Eleven classic high‐resolution NVSF schemes developed in the past decades are selected to evaluate performances of the three new techniques relative to the original technique. Under the circumstances of arbitrary unstructured meshes, stretched meshes, and uniform triangular meshes, for each NVSF scheme, the accuracies and convergence properties, when implementing the four aforementioned far‐upwind reconstruction techniques respectively, are assessed by the pure convection of several scalar profiles. The numerical results clearly show that New‐Technique‐2 leads to a better performance in terms of overall accuracy and convergence behavior for the 11 NVSF schemes. Copyright © 2013 John Wiley & Sons, Ltd.     

Incompressible fluid flow simulations with flow rate as the sole information at synthetic inflow and outflow boundaries

In numerically simulating heat and mass transport processes in an unconfined domain involving synthetic open (inflow and/or outflow) boundaries, how to properly specify flow conditions at these boundaries can become a challenging issue. In this work, within the context of a pressure‐based finite volume method under an unstructured grid, a solution procedure without the need for explicit specification of flow profiles at any of these boundaries when simulating incompressible fluid flow is proposed and numerically examined. Within this methodology, the flow at any open boundary is not necessarily assumed to be unidirectional or fully developed; indeed, the sole information required is the mass flow rate crossing the boundary. As a result, one can select the specific region of interest to perform simulations, rather than having to artificially increase the flow domain so as to invoke fully developed flow at all open boundaries. This not only greatly reduces computational costs (both in terms of memory requirements and simulation run‐time) but provides the means to engage with flow problems, which otherwise cannot be solved with currently available methods for handling the flow conditions at open boundaries. The proposed methodology is demonstrated by simulating laminar flow of an incompressible fluid in a two‐dimensional planar channel with a 90° T‐branch, a known inflow rate, and flow splits for the two outflow channels. The results obtained by placing the entrance and the two exits at different locations show that the flow behavior predicted is completely unaffected by using a highly truncated domain. Copyright © 2015 John Wiley & Sons, Ltd.