Investigating the chlorination of acidic pharmaceuticals and by-product formation aided by an experimental design methodology

The degradation of seven acidic drugs and two metabolites during chlorination was investigated by liquid chromatography-mass spectrometry (LC-MS). A triple-quadrupole (QqQ) system was used to follow the time course of the pharmaceuticals and by-products, while a quadrupole time-of-flight (Q-TOF) system was also used for the identification of the by-products. Under strong chlorination conditions (10 mg/L Cl₂, 24 h), only four of the target compounds were significantly degraded: salicylic acid, naproxen, diclofenac and indomethacine. The degradation kinetics of these four compounds were investigated at different concentrations of chlorine, bromide and pH by means of a Box-Behnken experimental design. Depending on these factors, measured pseudo-first order half-lives were in the ranges: 23-573 h for salicylic acid, 13-446 min for naproxen, 5-328 min for diclofenac and 0.4-13.4 min for indomethacine. Also, it was observed that chlorine concentration was the overall most significant factor, followed by the bromide concentration (except for indomethacine), resulting in increased degradation kinetics as they are increased. The degradation path of salicylic acid, naproxen and diclofenac consisted of aromatic substitution of one or two hydrogens by chlorine and/or bromide. Moreover, for diclofenac, two other by-products corresponding to a decarboxylation/hydroxylation pathway from the monohalogenated products were also identified. On the other hand, indomethacine degradation did not lead to halogenation products but to oxidation ones. The investigation of these by-products in real samples by LC-MS/MS (QqQ) showed that the halogenated derivates of salicylic acid occurred in all the drinking water and wastewater samples analysed.     

Sparse Reactive Power Scheduling by a Penalty Function - Linear Programming Technique

This work presents a linear programming based algorithm to solve reactive power dispatch problems. A mixed set of variables (generated voltages and reactive power injections) and the reactive power model of the fast decoupled load flow algorithm are used to derive linear sensitivities. A suitable criterion is suggested to form a sparse reactive power sensitivity matrix. The sparse sensitivity matrix is in turn modeled as a bipartite graph which is used to define an efficient constraint relaxation strategy to solve linearized reactive power dispatch problems. The penalty function - linear programming technique method is used in a complete reactive power dispatch solution algorithm, the performance of which is discussed by solving a 256-node, 58 control-variable test system.     

Identification and Quantitation of Allelochemicals from the Lichen Lethariella canariensis: Phytotoxicity and Antioxidative Activity

Phytotoxicity-based extraction and fractionation were employed to separate allelochemicals contained in an extract of Lethariella canariensis. Twelve phenolic substances were isolated from the phytotoxic fraction Letharal of the thalli. These were identified by spectroscopic methods, physicochemical constants, and HPLC chemical correlation, and determined to be atranol (2), chloroatranol (3), hematommic acid (4), chlorohematommic acid (5), methyl hematommate (6), methyl chlorohematommate (7) (new compound), ethyl hematommate (8), ethyl chlorohematommate (9), methyl -orsellinate (10), atranorin (11), chloroatranorin (12), and (+)-usnic acid (13). Further identification and quantification of these allelochemicals in the environment were conducted by HPLC. Several phenolic compounds showed moderate antimicrobial activity. The cytostatic activity of the polyphenols was investigated on U937 and HL-60 cells. All compounds were assayed, with the exception of 10. The Letharal mixture decreased cell viability in both cell lines. Protection against lipid peroxidation was investigated using brain homogenates. Compounds 2, 3, 6, 8, 11, and Letharal decreased H₂O₂/Fe⁺² induced lipid peroxidation in a concentration-dependent manner, while 10 and 13 were unable to protect tissue against oxidative stress.     

APPLIED COMPUTATIONAL INTELLIGENCE FOR FINANCE AND ECONOMICS

This article introduces some relevant research works on computational intelligence applied to finance and economics. The objective is to offer an appropriate context and a starting point for those who are new to computational intelligence in finance and economics and to give an overview of the most recent works. A classification with five different main areas is presented. Those areas are related with different applications of the most modern computational intelligence techniques showing a new perspective for approaching finance and economics problems. Each research area is described with several works and applications. Finally, a review of the research works selected for this special issue is given.     

EFFECTS OF A RATIONING RULE ON THE AUSUBEL AUCTION: A GENETIC ALGORITHM IMPLEMENTATION

The increasing use of auctions as a selling mechanism has led to a growing interest in the subject. Thus both auction theory and experimental examinations of these theories are being developed. A recent method used for carrying out examinations on auctions has been the design of computational simulations. The aim of this article is to develop a genetic algorithm to find automatically a bidder optimal strategy while the other players are always bidding sincerely. To this end a specific dynamic multiunit auction has been selected: the Ausubel auction, with private values, dropout information, and with several rationing rules implemented. The method provides the bidding strategy (defined as the action to be taken under different auction conditions) that maximizes the bidder's payoff. The algorithm is tested under several experimental environments that differ in the elasticity of their demand curves, number of bidders and quantity of lots auctioned. The results suggest that the approach leads to strategies that outperform sincere bidding when rationing is needed.     

Historiography of psychology in Spain: The last decade.

History of Psychology has been an extremely active field for many years in Spain. Both the great expansion of psychological studies and the inclusion of history as a compulsory subject in the psychology curriculum are crucial factors helping to understand the current state of affairs. The aim of this paper is to provide a survey of the work done in this area over the last decade, covering research, teaching, and institutional developments. The study includes consideration of aspects such as main research lines, major theoretical and methodological trends, teaching materials, relevant archives and exhibits, and significant websites. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Adaptive pull-type production control using Kalman Filters

The purpose of this research was to design a closed-loop process control methodology for a pull-type assembly line. It will aid in meeting the required production quota and in minimizing shipping and work-in-process inventory, particularly in environments with high levels of absenteeism and turnover that directly affect work station yield rates. The adaptive pull-type process control system (APPCS) allows pull-type production, with its associated benefits, to be successfully implemented in environments with low and variable yield rates. This is accomplished by dynamically feeding back production information to adjust the number of parts that should be included in a production container. The production control methodology uses a Kalman filter that predicts the amount of pieces the first workstation must place in a production tote in order to meet the target production quota. The key to the algorithm is the weighting function, which statistically dampens the effects of going beyond or below the target production quota. The APPCS was simulated on a pull-type production line with high levels of turnover, absenteeism, and poor yield rates. The results, compared to historical data, were encouraging with future work needed on the development of a forcing function and a covariance matrix for inspection error.