TY - JOUR A1 - Carl, Peter A1 - Schneider, Rudolf T1 - Optimization and evaluation of a hapten microarray using chemometric methods N2 - The demands for the assessment of water quality are increasing steadily, making it necessary to routinely monitor multiple contaminants in water samples. For this application a hapten microarray was developed. In order to reach the required low detection limits a design of experiments (DoE) approach was used to optimize the assay performance. Here we show that a Box-Behnken design plan is an adequate choice for the straightforward exploration of hapten microarray assay parameters. For both read-out systems studied (fluorophore-labelled detection antibodies or enzymatic signal development followed by reflectometric scan, respectively), it was possible to significantly extend the measurement ranges. Furthermore, it could be shown that multivariate data analysis, here partial least squares regression (PLS), can improve the prediction accuracy of 'unknown' samples when used as calibration model, compared to classical, univariate data evaluation methods. KW - Koffein KW - Caffeine KW - Proteine microarray KW - Design of experiments KW - Multivariate data analysis KW - Partial least squares regression KW - Small molecule detection KW - Microarray KW - Immunoarray KW - Immunoassay KW - ELISA KW - Chemometrie KW - Chemometrics PY - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-344672 SN - 1877-7058 VL - 120 SP - 501 EP - 506 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-34467 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -