Complex dynamics in double-diffusive convection

The dynamics of a small Prandtl number binary mixture in a laterally heated cavity is studied numerically. By combining temporal integration, steady state solving and linear stability analysis of the full PDE equations, we have been able to locate and characterize a codimension-three degenerate Takens–Bogdanov point whose unfolding describes the dynamics of the system for a certain range of Rayleigh numbers and separation ratios near S=-1. PACS 44.25.+f, 47.20.Bp, 05.45.-a     

0–1 equivalent model representations for air traffic management

We present two equivalent representations of a 0–1 model for the Air Traffic Flow Management Problem. We show that the LP relaxation of the second representation is tighter than the LP relaxation of the first one. As a direct implication, the Branch-and-Cut effort can be reduced. Computational results are reported on a set of large-scale instances. The preparation of this paper is partially supported by DGICYT through grant PB95-0407     

A comparative analysis of linear fitting for non-linear functions on optimization: A case study: Air pollution problems

A very frequent problem in advanced mathematical programming models is the linear approximation of convex and non-convex non-linear functions in either the constraints or the objective function of an otherwise linear programming problem. In this paper, based on a model that has been developed for the evaluation and selection of pollutant emission control policies and standards, we shall study several ways of representing non-linear functions of a single argument in mixed integer, separable and related programming terms. Thus we shall study the approximations based on piecewise constant, piecewise adjacent, piecewise non-adjacent additional and piecewise non-adjacent segmented functions. In each type of modelization we show the problem size and optimization results of using the following techniques: separable programming, mixed integer programming with Special Ordered Sets of type 1, linear programming with Special Ordered Sets of type 2 and mixed integer programming using strategies based on the quasi-integrality of the binary variables.     

Development and validation of a bioanalytical method by LC‐MS/MS for the quantification of the LAFIS 10 – an antimalarial candidate – and its pharmacokinetics first evaluation

A rapid and highly sensitive method by LC‐MS/MS was developed and validated for the quantification of an antimalarial candidate (LAFIS10) in rat plasma using dexamethasone as internal standard (IS). The chromatographic separation was performed with a Poroshell 120 EC‐C₁₈ column. The mobile phase consisted of water (A) and acetonitrile (B), both containing 10 m m of ammonium formate and 0.1% formic acid, delivered in the form of elution gradient. The LAFIS10 was monitored using an electrospray ionization interface operating in the positive mode in multiple reaction monitoring mode, monitoring the transitions 681.47 → 538.2 for LAFIS10 and 393.20 → 355.30 for the IS. The flow rate was 500 μL/min. The column temperature was kept at 40 °C and the injection volume was 2 μL. The lower limit of quantification was of 10 ng/mL and linearity between 10 and 1000 ng/mL was observed, with an R² > 0.99. The accuracy of the method was >90%. The relative standard deviations intra‐ and interday were <8.80 and <6.37%, respectively. The method showed sensitivity, linearity, precision, accuracy and selectivity required to quantify LAFIS 10 in preclinical pharmacokinetic studies according to criteria established by the US Food and Drug Administration and European Medicines Agency. Copyright © 2014 John Wiley & Sons, Ltd.     

An exact multi-objective mixed integer nonlinear optimization approach for aircraft conflict resolution

An exact mixed integer nonlinear optimization (MINO) model is presented for tackling the aircraft conflict detection and resolution problem in air traffic management. Given a set of flights and their configurations, the aim of the problem was to provide new configurations such that all conflict situations are avoided, with conflict situation understood to mean an event in which two or more aircraft violate the minimum safety distances that must be maintained in flight. The proposed model solves the problem using both horizontal (velocity and angle turn change) and vertical (altitude level change) maneuvers. As a special case, another model is presented in which only horizontal maneuvers are used. The models proposed are based on a geometric construction which involves trigonometric functions, so the constraint system is included via a large set of trigonometric and nonconvex inequalities. A multicriteria approach is presented to provide useful information to air traffic control officers about the maneuvers to be performed. The main results of an extensive computational experiment are reported in which the performance of the state-of-the-art nonconvex MINO solver Minotaur is studied.     

An Improved Upper Complexity Bound for the Topology Computation of a Real Algebraic Plane Curve

The computation of the topological shape of a real algebraic plane curve is usually driven by the study of the behavior of the curve around its critical points (which includes also the singular points). In this paper we present a new algorithm computing the topological shape of a real algebraic plane curve whose complexity is better than the best algorithms known. This is due to the avoiding, through a sufficiently good change of coordinates, of real root computations on polynomials with coefficients in a simple real algebraic extension of to deal with the critical points of the considered curve. In fact, one of the main features of this algorithm is that its complexity is dominated by the characterization of the real roots of the discriminant of the polynomial defining the considered curve.     

On a mixture of the fix-and-relax coordination and Lagrangian substitution schemes for multistage stochastic mixed integer programming

We present a framework for solving large-scale multistage mixed 0–1 optimization problems under uncertainty in the coefficients of the objective function, the right-hand side vector, and the constraint matrix. A scenario tree-based scheme is used to represent the Deterministic Equivalent Model of the stochastic mixed 0–1 program with complete recourse. The constraints are modeled by a splitting variable representation via scenarios. So, a mixed 0–1 model for each scenario cluster is considered, plus the nonanticipativity constraints that equate the 0–1 and continuous so-called common variables from the same group of scenarios in each stage. Given the high dimensions of the stochastic instances in the real world, it is not realistic to obtain the optimal solution for the problem. Instead we use the so-called Fix-and-Relax Coordination (FRC) algorithm to exploit the characteristics of the nonanticipativity constraints of the stochastic model. A mixture of the FRC approach and the Lagrangian Substitution and Decomposition schemes is proposed for satisfying, both, the integrality constraints for the 0–1 variables and the nonanticipativity constraints. This invited paper is discussed in the comments available at: doi:, doi:, doi:, doi:.     

Stereoselective synthesis of o-bromo (or iodo)aryl P-chirogenic phosphines based on aryne chemistry

The efficient synthesis of chiral or achiral tertiary phosphines bearing an o-bromo (or iodo)aryl substituent is described. The key step of this synthesis is based on the reaction of a secondary phosphine borane with the 1,2-dibromo (or diiodo)arene, owing to the formation in situ of an aryne species in the presence of n-butyllithium. When P-chirogenic secondary phosphine boranes were used, the corresponding o-halogeno-arylphosphine boranes were obtained without racemization in moderate to good yields and with ee up to 99%. The stereochemistry of the reaction, with complete retention of the configuration at the P atom, has been established by X-ray structures of P-chirogenic o-halogenophenyl phosphine borane complexes. The decomplexation of the borane was easily achieved without racemization using DABCO to obtain the free o-halogeno-arylphosphines in high yields.