Predicción de propiedades antimicrobianas de un grupo de quinolonas mediante Topología molecular.

Molecular topology has been applied to the prediction of antimicrobial properties (minimum inhibitory concentration for 50%, MIC50, against Neisseria meningitides, Campylobacter jejuni and Clostridium difficile) for a group of quinolone antiinfectives, using multi-variable regression. The corresponding connectivity functionswere obtained, and the selection criterion was based on their respective statistical parameters. Regression analyses shows that the molecular connectivity model predicts these properties. The corresponding random and stability (cross-validation) study of the different models selected were carried out, showing good stability and null randomness in all cases.Se ha aplicado la topología molecular a la predicción de propiedades antimicrobianas (concentración mínima inhibitoria 50%, CMI50, en Neisseria meningitidis, Capilobacter jejunji y Clostridium difficile) para un grupo de quinolonas, utilizando un análisis de regresión multilineal. Se han obtenido las correspondientes funciones de conectividad, siendo el criterio de selección diversos parámetros estadísticos como F de Snedecor, t de Student, cp de Mallow, etc. Los análisis de regresión muestran que el modelo predictivo propuesto por la conectividad molecular predice estas propiedades. Los correspondientes estudios de estabilidad y aleatoriedad realizados a los modelos seleccionados muestran una buena estabilidad y una nula aleatoriedad

Quantitative colorimetric-imaging analysis of nickel in iron meteorites

A quantitative analytical imaging approach for determining the nickel content of metallic meteorites is proposed. The approach uses a digital image of a series of standard solutions of the nickel-dimethylglyoxime coloured chelate and a meteorite sample solution subjected to the same treatment as the nickel standards for quantitation. The image is processed with suitable software to assign a colour-dependent numerical value (analytical signal) to each standard. Such a value is directly proportional to the analyte concentration, which facilitates construction of a calibration graph where the value for the unknown sample can be interpolated to calculate the nickel content of the meteorite. The results thus obtained were validated by comparison with the official, ISO-endorsed spectrophotometric method for nickel. The proposed method is fairly simple and inexpensive; in fact, it uses a commercially available digital camera as measuring instrument and the images it provides are processed with highly user-friendly public domain software (specifically, ImageJ, developed by the National Institutes of Health and freely available for download on the Internet). In a scenario dominated by increasingly sophisticated and expensive equipment, the proposed method provides a cost-effective alternative based on simple, robust hardware that is affordable and can be readily accessed worldwide. This can be especially advantageous for countries were available resources for analytical equipment investments are scant. The proposed method is essentially an adaptation of classical chemical analysis to current, straightforward, robust, cost-effective instrumentation. © 2010 Elsevier B.V. All rights reserved.Lahuerta Zamora, L.; Alemán López, P.; Antón Fos, G.; Martín Algarra, R.; Mellado Romero, AM.; Martínez Calatayud, J. (2011). Quantitative colorimetric-imaging analysis of nickel in iron meteorites. Talanta. 83:1575-1579. doi:10.1016/j.talanta.2010.11.058S157515798