Preface to the special issue of JOGO on the occasion of the 40th anniversary of the Group for Research in Decision Analysis (GERAD).

Journal of Global Optimization -     

Arbitrary-norm hyperplane separation by variable neighbourhood search

^** Email: alejandro.karam{at}hec.ca^*** Email: gilles.caporossi{at}gerad.ca^**** Email: pierre.hansen{at}gerad.ca We consider the problem of separating two sets of points ina Euclidean space with a hyperplane that minimizes the sum ofp-norm distances to the plane of points lying on the ‘wrong’side of the plane. A variable neighbourhood search heuristicis used to determine the plane coefficients. For a set of exampleswith L₁-norm, L₂-norm and L-norm, for which the exact solutioncan be computed, we show that our algorithm finds it in mostcases and gets good approximations in the others. The use ofour heuristic solutions for problems in these norms can dramaticallyaccelerate exact algorithms. Our method can be applied on verylarge instances that are intractable by exact algorithms. Sincethe proposed approach works for truly arbitrary norms (otherthan the traditional 1, 2 and ), we can explore for the firsttime the effects of the choice of p on the generalization propertiesof p-norm hyperplane separation.     

Graphs with maximum connectivity index

Let G be a graph and d_v the degree (=number of first neighbors) of its vertex v. The connectivity index of G is χ=∑ (d_ud_v)^−1/2, with the summation ranging over all pairs of adjacent vertices of G. In a previous paper (Comput. Chem. 23 (1999) 469), by applying a heuristic combinatorial optimization algorithm, the structure of chemical trees possessing extremal (maximum and minimum) values of χ was determined. It was demonstrated that the path P_n is the n-vertex tree with maximum χ-value. We now offer an alternative approach to finding (molecular) graphs with maximum χ, from which the extremality of P_n follows as a special case. By eliminating a flaw in the earlier proof, we demonstrate that there exist cases when χ does not provide a correct measure of branching: we find pairs of trees T, T′, such that T is more branched than T′, but χ(T)>χ(T′). The smallest such examples are trees with 36 vertices in which one vertex has degree 31.     

Simple Analytical Method for the Determination of Paclitaxel (Taxol ® ) Levels in Human Plasma

Paclitaxel has been widely used for tumor chemotherapy in recent years and it would be useful to assess occupational exposure to the drug, if only to confirm that the procedures and measures for prevention and protection applied in health care structures are effective against this kind of risk. This study is to establish a simple, robust analytical method for routine use in biological monitoring of health workers exposed to taxanes, and extendable to patients receiving these drugs. HPLC equipped with a diode array detector was used. The assay was validated. Intra- and inter-day accuracy and reproducibility were good. Recovery of paclitaxel spiked in drug-free plasma was higher than 87% with SPE using extract-clean normal phase cyanopropyl silica cartridges for plasma clean-up. The calibration curve was linear in the range 10–500 ng mL^?1. The method was applied to plasma samples of nurses occupationally exposed to paclitaxel. The experimental analytical method performed well, detecting paclitaxel in plasma at a concentrations down to 10 ng mL^?1. This straightforward method for analytical determination of paclitaxel in human plasma is rapid and can measure up to 36 plasma samples per day. It uses more economical equipment than other methods proposed in the literature and its validation parameters are highly satisfactory.     

LC Determination of the Skin Exposure to Oxamyl on Greenhouse Workers and Comparison Between DAD and MS–MS Detection

An LC–DAD method was developed to determine residues of oxamyl on greenhouse workers’ skin. The wipe test was used to obtain samples from hands, forearms, neck and gloves of workers taking cactus cuttings 48 h after pesticide treatment. It was validated in a concentration range 50–5,000 ng mL^?1. The results on six workers and ten office employees indicated significant differences particularly in the hand samples. To avoid the overestimation owing to an interfering substance we proceeded to confirm these findings with LC–MS–MS, which found the pesticide only on the surface of the workers’ gloves, proving that there was indeed some UV interference.     

A survey and new results on computer enumeration of polyhex and fusene hydrocarbons

After a short historic review, we briefly describe a new algorithm for constructive enumeration of polyhex and fusene hydrocarbons. In this process our algorithm also enumerates isomers and symmetry groups of molecules (which implies enumeration of enantiomers). Contrary to previous methods often based on the boundary code or its variants (which records orientation of edges along the boundary) or on the DAST code, which uses a rigid dualist graph (whose vertices are associated with faces and edges with adjacency between them), the proposed algorithm proceeds in two phases. First inner dual graphs are enumerated; then molecules obtained from each of them by specifying angles between adjacent edges are obtained. Favorable computational results are reported. The new algorithm is so fast that output of the structures is by far the most time-consuming part of the process. It thus contributes to enumeration in chemistry, a topic studied for over a century, and is useful in library making, QSAR/QSPR, and synthesis studies.     

Variable neighborhood search for extremal graphs 3

In the set of bicolored trees with given numbers of black and of white vertices we describe those for which the largest eigenvalue is extremal (maximal or minimal). The results are first obtained by the automated system AutoGraphiX, developed in GERAD (Montreal), and verified afterwards by theoretical means.     

Simple Analytical Method for the Determination of Paclitaxel (Taxol ® ) Levels in Human Plasma

Paclitaxel has been widely used for tumor chemotherapy in recent years and it would be useful to assess occupational exposure to the drug, if only to confirm that the procedures and measures for prevention and protection applied in health care structures are effective against this kind of risk. This study is to establish a simple, robust analytical method for routine use in biological monitoring of health workers exposed to taxanes, and extendable to patients receiving these drugs. HPLC equipped with a diode array detector was used. The assay was validated. Intra- and inter-day accuracy and reproducibility were good. Recovery of paclitaxel spiked in drug-free plasma was higher than 87% with SPE using extract-clean normal phase cyanopropyl silica cartridges for plasma clean-up. The calibration curve was linear in the range 10–500 ng mL⁻¹. The method was applied to plasma samples of nurses occupationally exposed to paclitaxel. The experimental analytical method performed well, detecting paclitaxel in plasma at a concentrations down to 10 ng mL⁻¹. This straightforward method for analytical determination of paclitaxel in human plasma is rapid and can measure up to 36 plasma samples per day. It uses more economical equipment than other methods proposed in the literature and its validation parameters are highly satisfactory.