Detection of Unintended Stress Effects Based on a Metabonomic Study in Tomato Fruits after Treatment with Carbofuran Pesticide. Capabilities of MCR-ALS Applied to LC-MS Three-Way Data Arrays

SANCHEZ PEREZ I; CULZONI M J; SIANO G G; GIL GARCÍA, M D; GOICOECHEA, H C; MARTINEZ GALERA, M

ANALYTICAL CHEMISTRY

ACS

Lugar: New York; Año: 2009 vol. 81 p. 8335 - 8346

0003-2700

A chemometric strategy based on multivariate curveresolution and alternating least-squares (MCR-ALS) appliedto LC-MS three-way data arrays has been developedto perform a metabonomic study in tomato (Lycopersiconesculentum) fruits (cultivar Rambo) following treatmentwith carbofuran. This methodology has proved to beadequate for the detection of unintended stress effects dueto the previous treatment with this pesticide. MCR-ALSwas performed on augmented matrices built with the LCMSthree-way data obtained from treated and nontreatedsamples through the sampling time. The strategy allowedus to obtain the concentration and spectra profiles of themain components (previously estimated with the SVDalgorithm) from samples treated with pesticide as well asfrom blank samples, showing how they vary with time afterplants treatment with the pesticide. In addition, a simpleresolved mass spectrum was obtained corresponding tothe peaks of a particular component in all matrices, thusavoiding ambiguity in the compound identity assignment.Different time profiles were found for some metabolitesin treated and nontreated samples, which demonstratethat the presence of pesticide causes changes thoroughtime in the behavior of certain endogenous tomato metabolitesas a result of physiological stress