CHEMOMETRICS IN THE TROPICS



Chemometrics in Environmental Science
Title: Chemometric study on the TiO₂-photocatalytic degradation of nitrilotriacetic acid Authors: Carina A. Emilio, Marta I. Litter, Jorge F. Magallanes* Contact: magallan (at) cnea.gov.ar Presentation: P001
Title: Alternative calibration approaches for LC-MS quantitative determination of coeluted compounds in complex environmental mixtures using multivariate curve resolution Authors: Emma Peré-Trepat*, Silvia Lacorte, Romà Tauler Contact: emma (at) apolo.qui.ub.es Presentation: OP04
Title: Multivariate analysis as a tool for the landfill exploration Authors: Evgeniy V. Mikhailov*, Oxana Ye. Rodionova, Alexey L. Pomerantsev Contact: evgeniystat (at) gmail.com Presentation: P002
Title: Recognition of protozoa and metazoa using image analysis tools, discriminant analysis and neural network Authors: Ginoris Y.P.*, Amaral L.A, Nicolau A., Ferreira E. C., Coelho M. A. Z. Contact: Yovankaperez (at) yahoo.com.br Presentation: P003
Title: Evaluation of the use of Artificial Neural Networks (ANN) in taxonomy. Towards automating Insect Identification Authors: Havel Josef*, Vanhara Jaromír Contact: havel (at) chemi.muni.cz Presentation: OP01
Title: Application HCA and PCA in the discrimination polluted and not polluted water bodies in the Amazon Region Authors: Henrique E. B. Silva*, Francisco S. Panero and Marjose A. de S. Israel Contact: hebsquim (at) globo.com Presentation: P004
Title: Factorial analysis of the trialomethanes formation in water disinfection using chlorine Authors: Joaquim C.G. Esteves da Silva*, Maria Cristina G. Antunes, Pedro M.S.M. Rodrigues. Contact: jcsilva (at) fc.up.pt Presentation: P005
Title: MCR of the quenching of the EEM of fluorescence of humic substances by metal ions Authors: Joaquim C.G. Esteves da Silva*, Claudia C.C. Pereira, Maria Cristina G. Antunes Contact: jcsilva (at) fc.up.pt Presentation: OP03
Title: Angular distances among objects as a tool in the source–receptor problem Authors: Jorge F. Magallanes*, Leonardo Murruni, Darío Gomez, Patricia Smichowski, and Raquel Gettar Contact: magallan (at) cnea.gov.ar Presentation: OP02
Title: Effect of missing values in estimation of mean of auto-correlated measurement series Authors: Maaret Paakkunainen*, Jarmo Kilpeläinen, Satu-Pia Reinikainen, Pentti Minkkinen Contact: maaret.paakkunainen (at) lut.fi Presentation: OP06
Title: Determination of five phenols in air samples by synchronous spectrofluorimetry and SPA-MLR Authors: María S. Di Nezio, Marcelo F. Pistonesi, Márcio J. C. Pontes, Wallace D. Fragoso*, Miriam E. Palomeque, María E. Centurión, Adriana G. Lista, Mário César Ugulino Araujo, Beatriz S. Fernández Band Contact: wallace (at) laqa.quimica.ufpb.br Presentation: P006
Title: Development of PLS calibration models from UV-Vis spectra for TOC estimation in wastewater samples Authors: Nídia D. Lourenço*, José C. Menezes, Helena M. Pinheiro and David Diniz Contact: pcic077 (at) mail.ist.utl.pt Presentation: OP07
Title: Comparison of two methods, genetic algorithms and effective variance, for the solution of the chemical mass balance Authors: Silvia Reich*, Fabiana Robledo, Darío Gomez, Patricia Smichowski, and Raquel Gettar Contact: silreich (at) cnea.gov.ar Presentation: P007
Title: Optimization of voltammetric conditions for the determination of guaicol and chloroguaiacol using boron-doped diamond electrode and RSM aproach Authors: Reinaldo F. Teófilo*, Helder J. Ceragioli, Alfredo C. Peterlevitz, Vitor Baranauskas, Márcia M.C. Ferreira, Lauro T. Kubota Contact: teofilo (at) iqm.unicamp.br Presentation: P008
Title: Simultaneous determination of guaicol and chloroguaiacol by SWV using boron-doped diamond electrode and PLS algorithms Authors: Reinaldo F. Teófilo*, Helder J. Ceragioli, Alfredo C. Peterlevitz, Vitor Baranauskas, Márcia M.C. Ferreira, Lauro T. Kubota Contact: teofilo (at) iqm.unicamp.br Presentation: P009
Title: Study of the electrochemical passivation by phenolics compounds using QSPR Authors: Reinaldo F. Teófilo*, Rudolf Kiralj, Lauro T. Kubota, Márcia M.C. Ferreira. Contact: teofilo (at) iqm.unicamp.br Presentation:P010
Title: Multivariate Analysis of Circum-Arctic Oils Authors: L. Scott Ramos* and Ken E. Peters Contact: scott_ramos (at) infometrix.com Presentation:P011
Title: Photolytic study of decabromodiphenyl ether by UV spectrophotometry and multivariate cruve resolution Authors: Sílvia Mas*, Anna de Juan, Sílvia Lacorte, Romà Tauler Contact: smgqam (at) iiqab.csic.es Presentation: P012
Chemometrics in Food Science and Agriculture
Title: X-Ray Spectroscopy and multivariate calibration applied to soil samples Authors: Adriana Calderini, Aline Klassen, Carlos Queiroz, Dióginis Montrazzi, Martha Favaro, Robson Godinho, Simone S. O. Borges and Maria Izabel Maretti Silveira Bueno* Contact: bell (at) iqm.unicamp.br Presentation: P013
Title: Sweeteners evaluations in powder fruit juices using X-ray scattering and PCA Authors: Alessandra Sussulini, Amadeu H. Iglesias, André G. Lima, Eduardo C. Figueiredo, Fabíola M. Verbi Pereira*, Heitor L. Fernandes, Silvia C. L. Pinheiro, Maria I. M. S. Bueno Contact: fverbi (at) iqm.unicamp.br Presentation: P014
Title: Multioptimization for the determination of some persistent organic pollutants in natural samples applying of HS-SPME Authors: Cláudia Hoffmann Kowalski*, Gilmare Antônia da Silva, Helena Teixeira Godoy, Ronei Jesus Poppi, Fabio Augusto. Contact: kowalski (at) fea.unicamp.br Presentation: P015
Title: Quality Assessment of Espinheira-Santa Phytomedicines Using ¹H NMR Spectroscopy and Principal Component Analysis Authors: Cristina Daolio, Glaucia Braz Alcantara*, Antonio Gilberto Ferreira, Marcia Miguel Castro Ferreira Contact: glabraz (at) yahoo.com.br Presentation: P016
Title: Geographic origins of virgin olive oils determined by chemometric analysis of NIR spectra Authors: Nathalie Dupuy, Oswin Galtier*, Yveline Le Dréau, Denis Ollivier, Christian Pinatel, Jacky Kister, Jacques Artaud Presentation: OP48
Title: A comparative study of Bauhinia species by FTIR fingerprint and chemometric analysis Authors: Fernanda Delaroza*, Patrícia Kaori Soares, Ieda Spacino Scarminio. Contact: fernandadelaroza (at) yahoo.com.br Presentation: P017
Title: Quality control of olive fruits and virgin olive oils by chemometric analysis of NIR spectra Authors: Oswin Galtier*, Nathalie Dupuy, Yveline Le Dréau, Denis Ollivier, Christian Pinatel, Jacky Kister, Jacques Artaud Contact: oswin.galtier (at) univ.u-3mrs.fr Presentation: P018
Title: Chemometric analysis applied in intact lichens samples using (HR-MAS) 1H NMR and IR data for chemotaxonomic discrimination Authors: Glaucia Braz Alcantara*, Neli Kika Honda, Márcia Miguel Castro Ferreira, Antonio Gilberto Ferreira. Contact: glabraz (at) yahoo.com.br Presentation: P019
Title: Response surface methodology for optimization of biopesticides poduction using industrial wastewater as substrate Authors: Guilherme Augusto Moreira, Héctor Goicoechea, Alejandro Beccaria Contact: guile (at) ufpr.br Presentation: P020
Title: Application by extended multiplicative signal correction to reflectance difuse the near-infrared of aation for shrimp Authors: Henrique E. B. Silva*, Francisco S. Panero and Lívia P. D. Ribeiro Contact: hebsquim (at) globo.com Presentation: P021
Title: Robust descriptor generation in free choice type profiling sensory studies by a modified PCA on a merged data sets based method: example with different orange juice types Authors: Jesús Pérez Aparicio*, Mª Ángeles Toledano Medina,Victoria Lafuente Rosales, Francisco Javier Hernández Ramos Contact: jesus.perez.aparicio (at) juntadeandalucia.es Presentation: OP47
Title: On-line monitoring of a transesterification reaction of soybean oil with ethanol by FT-IR spectroscopy and H-1 NMR Authors: Marcello G. Trevisan, Camila M. Garcia, Ulf F. Schuchardt and Ronei J. Poppi* Contact: ronei (at) iqm.unicamp.br Presentation: P022
Title: X-Ray Spectroscopy and multivariate calibration applied to plant leaves Authors: Maria Izabel Maretti Silveira Bueno*, Anne Hélène Fostier and Karine Chiquim Contact: bell (at) iqm.unicamp.br Presentation: P023
Title: Spectral data reduction by using multivariate methods in factorial discriminant analysis Authors: Nathalie Estephan*, Naïm Ouaini, Douglas N. Rutledge Contact: nathalieestephan (at) usek.edu.lb Presentation: OP46
Title: Chromatographic fingerprint preparation and authentication of the plant material of Bauhinia genus by multivariate methodology Authors: Fernanda Delaroza*, Patrícia Kaori Soares, Ieda Spacino Scarminio. Contact: fernandadelaroza (at) yahoo.com.br Presentation: P024
Title: Broad-based calibration for quality control of mayonnaise Authors: Paulo Augusto da Costa Filho Contact: pauloaugusto.dacostafilho (at) rdls.nestle.com Presentation: P025
Title: Application of genetic algorithm for variables selection in BLLS method for pesticides and metabolites determinations in wine Authors: Renato L. Carneiro, Jez W. B. Braga*, Carla B. G. Bottoli and Ronei J. Poppi. Contact: jbraga (at) iqm.unicamp.br Presentation: P026
Title: Exploratory data analysis of commercial coffees with different roasting degrees using chromatograms obtained from SPME-GC-FID Authors: Juliano S. Ribeiro*, Reinaldo F. Teofilo, Fábio Augusto and Márcia M.C. Ferreira Contact: jribeiro (at) iqm.unicamp.br Presentation: P027
Title: Exploratory data analysis of commercial coffees with different roasted degrees and process using diffuse reflection mid-infrared spectroscopy Authors: Ribeiro, J. S.*, Salva, T. and Ferreira, M. M. C. Contact: jribeiro (at) iqm.unicamp.br Presentation: P028
Title: Analysis of lipid extract of plants with citrus death using GC-MS and chemometrics Authors: Rosilene Aparecida Prestes*, Luiz Alberto Colnago, Emanuel Carrilho, Nelson Wulf, Nelson Roberto Antoniosi Filho Contact: rosilene (at) cnpdia.embrapa.br Presentation: P029
Title: Determination of sweetness degrees of sugars by X-Ray Spectrometry allied to chemometrics Authors: Thais Levatti Alexandre, Karen Goraieb and Maria Izabel Maretti Silveira Bueno* Contact: bell (at) iqm.unicamp.br Presentation: P30
Title: Enriched flour characteristics investigation using principal component analysis Authors: Thaís R. Boen, Bruno T. Soeiro, Edenir R. Pereira-Filho, Juliana A. Lima-Pallone* Contact: julianalima (at) puc-campinas.edu.br Presentation: P031
Title: Tracing the origin of food Authors: B. Üstün*, G. van der Veer, W. J. Melssen, L. M. C. Buydens Contact: b.ustun (at) science.ru.nl Presentation: P032
Title: Sensory panel data analysis: An information theory oriented approach Authors: Vitor V. Lopes*, Rui C. Martins and A. C. Rosa Contact: vlopes (at) mail.ist.utl.pt Presentation: OP05
Chemometrics in Industry
Title: Simultaneuosly calibrating solids, sugars and acidity of tomato products using PLS2 and NIR spectroscopy Authors: André M. K. Pedro* and Márcia M. C. Ferreira Contact: andre.k.pedro (at) unilever.com Presentation: OP35
Title: Prediction of kerosene physical – chemical properties from its FT-MIR spectral features Authors: Angel Dago Morales, Isneri Talavera*, Noslen Hernández Contact: italavera (at) cenatav.co.cu Presentation: P033
Title: Comparing near infrared - Fourier transform spectroscopy and X-ray spectroscopy to preview the aniline point of petroleum products using partial least square regression Authors: Claudete Bernardo Henriques and Maria Izabel Maretti Silveira Bueno* Contact: bell (at) iqm.unicamp.br Presentation: P034
Title: Determination of nicotine, TAR and carbom monoxide in cigarette samples using PLS-ATR/FT-IR Authors: Edson Irineu Muller, Graciele Parisotto, Fabiana Ernestina Barcellos da Silva, Marco Flôres Ferrão, Erico Marlon Moraes Flores* Contact: flores (at) quimica.ufsm.br Presentation: P035
Title: Method for Ginsenosides quantification in dry extract of Ginseng by HPLC-DAD and PARAFAC Authors: Fabiana Alves de Lima Ribeiro*, André Luiz Rosa, Fernando Dias Barboza, Márcia Cristina Breitkreitz, José Antônio Martins Contact: iipf (at) institutoipf.org.br Presentation: OP25
Title: Evaluation of primers submitted to exposure tests using gray scale histograms and PCA Authors: Fabíola M. Verbi Pereira* and Maria Izabel M. Silveira Bueno Contact: fverbi (at) iqm.unicamp.br Presentation: P036
Title: Multivariate calibration for density determination in varnishes Authors: Fabíola M. Verbi Pereira* and Maria Izabel M. Silveira Bueno Contact: fverbi (at) iqm.unicamp.br Presentation: P037
Title: Using principal component analysis to find the best calibration settings for the simultaneous prediction of several gasoline properties Authors: Fernanda Araújo Honorato , Maria Fernanda Pimentel *, Benício de Barros Neto , Roberto Kawakami Harrop Galvão and Luiz Stragevitch Contact: mfp (at) ufpe.br Presentation: P038
Title: Analysis of uncertainty in combustion process data Authors: Jarmo Kilpeläinen*, Satu-Pia Reinikainen, Maaret Paakkunainen, Pentti Minkkinen Contact: jarmo.kilpelainen (at) lut.fi Presentation: P039
Title: Non-destructive measurements by FTNIR technology of total acidity, brix grades and limonin content on different pasteurised orange juice fabrication processes Authors: Jesús Pérez Aparicio*, Francisco Javier Hernández Ramos, Antonio Ruz Gómez, Emiliano de Pedro Sanz, Victoria Lafuente Rosales , Víctor Ortiz Somovilla. Contact: jesus.perez.aparicio (at) juntadeandalucia.es Presentation: P040
Title: Principal components analysis applied to geochemical characterization of petroleum Authors: Juliana B. Tamanqueira , Julio césar M. Dias *, Félix.T.T. Gonçalves , Luíz Landau , Débora A. Azevedo Contact: juliocmd (at) petrobras.com.br Presentation: P041
Title: Chemometric study of Brazilian crude oil profile Authors: Julio César M. Dias *, Paula F. de Aguiar Contact: juliocmd (at) petrobras.com.br Presentation: P042
Title: Advanced volume sensor: pattern recognition and Bayesian reasoning for multicriteria damage control Authors: Kevin J. Johnson*, Christian P. Minor, and Susan L. Rose-Pehrsson Contact: kevin.johnson (at) nrl.navy.mil Presentation: OP39
Title: Near infrared spectroscopy and multivariate calibration for quality control of enalapril maleate tablets Authors: Márcia Cristina Breitkreitz*, Fabiana Alves de Lima Ribeiro, Fernando Dias Barboza, José Antônio Martins Contact: iipf (at) institutoipf.org.br Presentation: OP37
Title: Non-destructive method for determination of hydroxyl value of soybean polyol by LS-SVM using HATR/FT-IR Authors: Marco F. Ferrão, Simone C. Godoy, Annelise E. Gerbase, Cesar Mello*, João Carlos Furtado, Cesar L. Petzhold and Ronei Jesus Poppi Presentation: OP38
Title: Neural networks applied to quantification of methyldopa in pharmaceutical formulations Authors: Marco F. Ferrão*, Rolf Fredi Molz, João Carlos Furtado, Pedro Henrique A. Konzen and Geraldo L. Crossetti Contact: ferrao (at) unisc.br Presentation: P043
Title: Utilization of ternary diagrams in the prediction of compatibility of Brazilian crude oils Authors: Michelle C. da Silva*, Paula F. de Aguiar, Evaldo L. Zílio, Maria de Fátima P. dos Santos, Antonio C. S. Ramos, Marlus P. Rolemberg, Maria S. E. Garreto Contact: chellcosta (at) bol.com.br Presentation: P044
Title: Contribution of the multiway analysis to the interpretation of the mechanisms of oxidation. A comparison approach Authors: Priéri F. *, Saby C.-A. , Le-Dréau Y., Gresser E. , Kister J. Contact: florence.prieri (at) univ.u-3mrs.fr Presentation: P045
Title: Margarine products quality monitoring using reflectance UV-VIS-SWNIR spectroscopy Authors: Rui C. Martins, Vitor V. Lopes,* and A. A. Vicente Contact: vlopes (at) mail.ist.utl.pt Presentation: P046
Title: On-line determination of kraft liquor constituents by Fourier-transform Near Infrared (FT-NIR) spectroscopy Authors: Thanh Trung*, Denys Leclerc, Mike Kester, and Jim Carver Contact: TTrung (at) paprican.ca Presentation: OP40
Title: Determination of nimesulide tablets employing IPLS and DRIFTS Authors: *Wérickson Fortunato de Carvalho Rocha, André Luiz Rosa,,José Antônio Martins, Ronei Jesus Poppi Contact: werickson03 (at) yahoo.com.br Presentation: P047
Chemometric Methods
Title: Combination of genetic algorithm and partial least squares for cloud point prediction of nonionic surfactants from Authors: Jahanbakhsh Ghasemi*, Shahin Ahmadi Contact: jahan.ghasemi (at) gmail.com Presentation: P048
Title: NIR quantitative analysis of textile blends : focus on the selection of relevant variable Authors: Alexandra DURAND*, Olivier DEVOS, Cyril RUCKEBUSCH, Jean-Pierre HUVENNE Contact: alexandra1.durand (at) ed.univ-lille1.fr Presentation: OP16
Title: Hybrid hard- and soft-modelling for chemical process analysis Authors: Anna de Juan*, Marcel Maeder and Romà Tauler. Contact: anna.dejuan (at) ub.edu Presentation: OP15
Title: Interpretation of regression vectors: past and present views Authors: Christopher D. Brown* Contact: cbrown (at) ahuracorp.com Presentation: OP17
Title: Chemometric challenges for tricorders Authors: Christopher D. Brown*, Gregory Vander Rhodes Contact: cbrown (at) ahuracorp.com Presentation: P049
Title: Fully automated indirect hard modeling with identification of unknown pure component spectra Authors: Ernesto Kriesten*, Wolfgang Marquardt Contact: kriesten (at) lpt.rwth-aachen.de Presentation: OP18
Title: Class-modeling using multilayer feed-forward neural networks. Theory and applications Authors: Federico Marini.*, Antonio L. Magrì, Remo Bucci, Andrea D. Magrì. Contact: fmmonet (at) hotmail.com Presentation: P050
Title: PCA applied to pen paints analyzed by mid FTIR spectroscopy Authors: Fernando Schimidt*, Fabio Iecks Gomes Torres and Deolinda Martins Contact: atperkin (at) hplc.com.br Presentation: P051
Title: Finding relevant variables between analytical instruments by use of cross model validation Authors: Frank Westad*, Rasmus Bro Contact: frank.westad (at) ge.com Presentation: P051
Title: X-ray scattering and multivariate analysis as an analytical technique for classification of organic samples Authors: Gisele Gonçalves Bortoleto, Simone Soares de Oliveira Borges and Maria Izabel Maretti Silveira Bueno* Contact: bell (at) iqm.unicamp.br Presentation: P053
Title: Application of genetic algorithms to kinetic model fitting: multi-objective optimisation and kinetic model optimisation Authors: Graeme Puxty*, Stefano Gianoli, Marcel Maeder and Konrad Hungerbühler Contact: graeme.puxty (at) chem.ethz.ch Presentation: OP19
Title: Theoretical foundations of analysis of variance-principal components analysis Authors: Peter de Boves Harrington*, Ping Chen, and Alfred Yergey Contact: peter.harrington (at) ohio.edu Presentation: P054
Title: Combination of experimental design and artificial neural networks for optimization in capillary electrophoresis Authors: Ben Hameda Azdeen*, Elosta Shaban, Havel Josef Contact: hameda (at) chemi.muni.cz Presentation: P055
Title: Comparative study of NAS-based figures of merit for MLR with variable selection and full-spectrum PLS Authors: Heronides A. Dantas Filho*, Sófacles F. C. Soares, Wallace D. Fragoso, Mário C. U. Araújo, Roberto K. H. Galvão, Edvan C. Silva, Celio Pasquini. Contact: heronides (at) iqm.unicamp.br Presentation: P056
Title: Optimal wavelet filtering of coaveraged instrumental signals employing statistics from individual scans Authors: Heronides A. Dantas Filho*, Roberto K. H. Galvão, Celio Pasquini, Mário César U. Araújo. Contact: heronides (at) iqm.unicamp.br Presentation: P057
Title: Self-Modeling Curve Resolution (SMCR) with Hybrid Genetic Algorithms (HGA) Authors: Hideyuki Shinzawa*, Makio Iwahashi, Yukihiro Ozaki Contact: shinzawa (at) ksc.kwansei.ac.jp Presentation: OP20
Title: Automatic adjustment of relative importance of different input variables for optimization of counter-propagation neural networks Authors: Igor Kuzmanovski*, Marjana Novic, Mira Trpkovska Contact: shigor (at) iunona.pmf.ukim.edu.mk Presentation: P058
Title: Multiple factor analysis as a tool for exploring multiblock data Authors: Ivana Stanimirova*, Beata Walczak Contact: istanimi (at) us.edu.pl Presentation: P059
Title: Comparison results from FTNIR calibration models obtained by two programs (NIRCal v. 4.21 and Calibrator) on Brix grades, total acidity and limonin content from fresh orange juice Authors: Jesús Pérez Aparicio*, Francisco Javier Hernández Ramos, Antonio Ruz Gómez, Emiliano de Pedro Sanz, Victoria Lafuente Rosales , Víctor Ortiz Somovilla. Contact: jesus.perez.aparicio (at) juntadeandalucia.es Presentation: P060
Title: Comparison of BLLS-RBL, PLS-RBL and PARAFAC for pesticides and metabolites determinations in wine by SPE and HPLC-DAD Authors: Jez W. B. Braga*, Carla B. G. Bottoli, Héctor C. Goicoechea, Alexandro C. Olivieri and Ronei J. Poppi. Contact: jbraga (at) iqm.unicamp.br Presentation: P061
Title: Estimation of the uncertainty of classification in the K-nearest neighbour method using bootstrap Authors: Joe Luis Villa Medina, Joan Ferré, Ricard Boqué* Contact: ricard.boque (at) urv.cat Presentation: OP30
Title: Ghost spectroscopy: working without characteristic peaks Authors: Maria Izabel Maretti Silveira Bueno Contact: bell (at) iqm.unicamp.br Presentation: OP21
Title: Orthogonal projection approach to select dissimilar chromatographic systems Authors: Melanie Dumarey, Elke van Gyseghem, Yvan Vander Heyden* Contact: yvanvdh (at) vub.ac.be Presentation: P062
Title: From projection pursuit to PCA, robust PCA, ICA and other approaches Authors: Michal Daszykowski, Ivana Stanimirova and Beata Walczak Contact: mdaszyk (at) us.edu.pl Presentation: OP32
Title: Calculation of the reliability of classification for Discriminant Partial Least Squares (DPLS) Authors: Néstor F. Pérez, Ricard Boqué*, Joan Ferré. Contact: ricard.boque (at) urv.cat Presentation: P063
Title: Signal processing in the chromatographic analysis Authors: Tamas L. Pap Contact: pap (at) almos.vein.hu Presentation: OP29
Title: Software reliability engineering in chemometric methods Authors: Satu-Pia Reinikainen*, Kari Aaljoki, Annikki Perkiö, Agnar Höskuldsson Contact: satu-pia.mujunen (at) lut.fi Presentation: P064
Title: TNO-DECO, an automatic procedure for deconvolution applied to metabolomics related studies Authors: Renger H. Jellema*, Mariët J. van der Werf, Henk M. van Sonsbeek, Frans M. van der Kloet and Jack T.W.E. Vogels, Age K. Smilde Contact: renger.jellema (at) tno.nl Presentation: OP33
Title: A subagging strategy for multivariate calibration Authors: Roberto Kawakami H. Galvão, Mário César Ugulino Araújo*, Marcelo N. Martins, Gledson E. José, Márcio J. C. Pontes, Edvan Cirino Silva, Teresa C. B. Saldanha. Contact: laqa (at) quimica.ufpb.br Presentation: P065
Title: Ordered predictors selection: an intuitive method to find the most relevant variables in multivariate regression Authors: Reinaldo Francisco Teófilo, João Paulo Ataide Martins*, Márcia Miguel Castro Ferreira Contact: jpmartins (at) iqm.unicamp.br Presentation: P066
Title: Preprocessing of chromatographic data - new tools for peak alignment and baseline correction Authors: Thomas Skov*, Frans van den Berg & Rasmus Bro Contact: thsk (at) kvl.dk Presentation: OP31
Title: Visualization and interpretation of support vector machines Authors: B. Üstün, W.J. Melssen, L.M.C. Buydens Contact: b.ustun (at) science.ru.nl Presentation: P067
Title: Facilitating the application of support vector regression by using a universal Pearson VII function based kernel Authors: B. Üstün*, W.J. Melssen, L.M.C. Buydens Contact: b.ustun (at) science.ru.nl Presentation: OP34
Title: A critical look at cross-validation of decompositions models Authors: Vibeke T. Svensson*, Stina Frosch Møller, Rasmus Bro Contact: vip (at) kvl.dk Presentation: P068
Title: Linear regression of polynomial parameters (coefficients) taking into account the uncertainties of the experimental points on both axes Authors: Welington Ferreira de MAGALHÃES*, Daise Fátima MOREIRA Contact: welmag (at) ufmg.br Presentation: P069
Title: Modeling based on subspace orthogonal projection for QSAR and QSPR Research Authors: Yizeng Liang*, Dalin Yuan, Junwen Shen and Qingsong Xu Contact: yizeng_liang (at) 263.net Presentation: OP28
Chemometrics in Medicine - Biological Systems
Title: In vitro biochemical classification of brain tumors by high field ¹H MRS Authors: Andréia Vasconcellos Faria, Fernando César de Macedo Júnior, Márcia Ferreira, Anita Jocelyne Marsaioli, Fernando Cendes Contact: marcia (at) iqm.unicamp.br Presentation: P070
Title: QSAR methods in biomedicine – effect of geometry optimization Authors: Åsmund Rinnan*, Søren Balling Engelsen Contact: aar (at) kvl.dk Presentation: OP14
Title: Combinations of linear modelling techniques with multivariate adaptive regression splines to predict gastro-intestinal absorption of drugs Authors: Eric Deconinck, Danny Coomans, Yvan Vander Heyden* Contact: yvanvdh (at) vub.ac.be Presentation: P071
Title: Simultaneous determination of organic and inorganic species in urine by X-ray spectroscopy using multivariate calibration Authors: *Gisele G. Bortoleto, Rafael A. de Sousa, Solange Cadore, Nelci F. Höher and Maria Izabel M. S. Bueno Contact: giseleb (at) iqm.unicamp.br Presentation: P072
Title: Metabolites from Cerebrospinal fluid (CSF): Multiplesclerosis (MS) pattern-recognition applying ¹H NMR and statistical methods Authors: Isis Martins Figueiredo, Fabiano Reis, Fernando Cendes, Márcia M. C. Ferreira*, Anita J. Marsaioli Contact: marcia (at) iqm.unicamp.br Presentation: P073
Title: Application of chemometrics tools for automatic classification and profile extraction of DNA samples in forensic tasks Authors: Isneri Talavera*, Francisco Silva, Noslén Hernández, Ricardo González, Juan Palau, Marcia M.Castro Ferreira Contact: italavera (at) cenatav.co.cu Presentation: OP09
Title: A study of physicochemical and biopharmaceutical properties of amoxicillin formulations developed by direct compression using full factorial design with multiple responses Authors: Kerly F. M. Pasqualoto*, Reinaldo F. Teófilo, Marcos Guterres, Flávia S. Pereira, Márcia M. C. Ferreira Contact: kerlyfmp (at) iqm.unicamp.br Presentation: P074
Title: Direct determination of propranolol in urine by spectrofluorimetry with the aid of second order advantage Authors: Lucas C. Silva, Marcello G. Trevisan, Ronei J. Poppi, Marcelo M. Sena* Contact: marcsen (at) ueg.br Presentation: P075
Title: Multiresponse simultaneous optimization applied to epinastine determination in human serum by using capillary electrophoresis Authors: Luciana Vera Candioti*, Alejandro Olivieri and Héctor Goicoechea Contact: luveca (at) fbcb.unl.edu.ar Presentation: P076
Title: Analysis of variation of metabolic profiles of secondary metabolites in tangerine peels by HPLC/DAD, GC/MS and chemometrics Authors: Lun-zhao Yi, Yi-zeng Liang*, Hong-mei Lu, Pei-shan Xie, Yu Zhao Contact: yizeng_liang (at) 263.net Presentation: P077
Title: Residual bilinearization. A useful tool providing PLS and ANN with the second-order advantage Authors: María J. Culzoni*, Miguel A. Cabezón, Patricia C. Damiani, Graciela M. Escandar, Alejandro García-Reiriz, Héctor C. Goicoechea, Nilda Marsili, Alejandro C. Olivieri, Ariana P. Pagani, Gisela Piccirilli Contact: mculzoni (at) fbcb.unl.edu.ar Presentation: OP11
Title: Evaluating the gene-specific highly reproducible and delicately balanced spectral patterns obtained from self-organising biological tissues Authors: L.Nørgaard, B.Møller, S.B.Engelsen, R.Bro, L.Munck* Contact: Lars.Munck (at) mli.kvl.dk Presentation: OP08
Title: Deciphering the transcription patterns of a malaria parasite using multivariate curve resolution Authors: Robert M. Flight*, Peter D. Wentzell Contact: rflight (at) dal.ca Presentation: OP13
Title: Quantitative Structure-Property Relationship (QSPR) Study of ¹⁷O carbonyl chemical shifts in substituted benzaldehydes Authors: Rudolf Kiralj*, Márcia M. C. Ferreira. Contact: rudolf (at) iqm.unicamp.br Presentation: P078
Title: A computation saving jackknife approach to receptor model uncertainty statements for serially correlated data Authors: Cliff Spiegelman*, Eun Sug Park Contact: cliff (at) stat.tamu.edu Presentation: Oral
Title: Chemometrics applied to protein process analysis Authors: Susana Navea*, Romà Tauler and Anna de Juan Contact: susana (at) apolo.qui.ub.es Presentation: P079
Title: Characterization of errors in transcriptomics by spotted DNA microarray data Authors: Tobias K. Karakach*, and Peter D. Wentzell Contact: karakach (at) dal.ca Presentation: P080
Title: Identification of biomarker pattern using Alternative-moving Window Factor Analysis (AMWFA) and Minimum Entropy Method (MEM) Authors: Zhong-Da Zeng, Yi-Zeng Liang*, Lu-Ming Liang, Douglas B. Kell , Warwick B. Dunn, Foo-Tim Chau, Ya-Li Wang and Qing-Song Xu Contact: yizeng_liang (at) 263.net Presentation: OP12
Data Mining
Title: Classification of perovskites using supervised self-organizing maps Authors: Igor Kuzmanovski*, Sandra Dimitrovska-Lazova, Slobotka Aleksovska Contact: shigor (at) iunona.pmf.ukim.edu.mk Presentation: OP26
Title: A simple Quantitative Structure-Property Relationship (QSPR) approach to stability constants of metal-crown ether complexes in methanol Authors: Rudolf Kiralj*, Márcia M. C. Ferreira. Contact: rudolf (at) iqm.unicamp.br Presentation: P081
Title: Literature and internet database mining in a study about the word CHEMOMETRICS Authors: Rudolf Kiralj*, Márcia M. C. Ferreira. Contact: rudolf (at) iqm.unicamp.br Presentation: OP27
Experimental - Product Design
Title: Validation and comparison of Plackett-Burman and supersaturated designs in robustness testing of a FIA assay Authors: Bieke Dejaegher, Melanie Dumarey, Xavier Capron, Michael S. Bloomfield and Yvan Vander Heyden* Contact: yvanvdh (at) vub.ac.be Presentation: P082
Title: FEAR method to estimate factor effects in supersaturated designs constructed from Plackett-Burman designs Authors: Bieke Dejaegher, Xavier Capron and Yvan Vander Heyden* Contact: yvanvdh (at) vub.ac.be Presentation: OP44
Title: Unreplicated split-plot mixture designs and statistical models for optimizing mobile chromatographic phase and extraction solutions for fingerprint searches Authors: Cleber N. Borges*, Márcia C. Breitkreitz, Roy E. Bruns, Lucas M. da C. e Silva, Ieda S. Scarminio Contact: bruns (at) iqm.unicamp.br Presentation: OP45
Title: Split-plot design and Derringer desirability functions for the isocratic chromatographic separation of pesticides Authors: Márcia C. Breitkreitz* , Isabel C. S. F. Jardim and Roy E. Bruns Contact: bruns (at) iqm.unicamp.br Presentation: P083
Multiway - Image Data Analysis
Title: Improvement DNA spots classification in polyacrilamide gel images, using photometric normalization algorithms Authors: Eduardo Garea, Francisco Silva, Isneri Talavera*, Noslén Hernández, Ricardo González Contact: italavera (at) cenatav.co.cu Presentation: P084
Title: Quantitative discrimination of AFM images of human hair from different ethnic groups: african, caucasian and oriental Authors: Fabiana Alves de Lima Ribeiro*, Valéria Fernandes Monteiro, Elson Longo, Márcia Miguel Castro Ferreira. Contact: fabianaalr (at) yahoo.com.br Presentation: P085
Title: Atomizers investigation in thermospray flame furnace atomic absorption spectrometry using X-ray fluorescence, images and chemometric tools Authors: Grasiela A. Petrucelli, Patrícia K. Stocco, Maria I. M. S. Bueno and Edenir R. Pereira-Filho* Contact: edenir (at) puc-campinas.edu.br Presentation: P086
Title: A N-dimensional generalization of EMD using RBF applied on the decomposition of multi-scaled chemical data Authors: Raphael G. d'A. Vilamiu*, Wilson C. Ferreira Jr Contact: raphaelvilamiu (at) yahoo.com.br Presentation: OP24
Title: Predicting the concentration of riboflavin sodium salt in starch acetate matrix tablet from ATR-FTIR spectra using multi-way methods Authors: Sanni Matero*, Jari Pajander, Anne-Marie Soikkeli, Satu-Pia Reinikainen, Maija Lahtela-Kakkonen, Ossi Korhonen, Jarkko Ketolainen, Reijo Lappalainen, Antti Poso Contact: Sanni.matero (at) uku.fi Presentation: OP23
Title: Evaluation of the selectivity of multiway analysis methods Authors: Sarah E. G. Porter*, Marc T. Cantwell, and Sarah C. Rutan Contact: grahamse (at) vcu.edu Presentation: OP22
Process Analytical Technology - PAT
Title: Brazilian automotive gasoline quality prediction applying multivariate data analysis techniques SIMCA in chromatographic data Authors: Danilo L. Flumignan PG*, Fabrício O. Ferreira PG, Aristeu G. Tininis PQ, José E. Oliveira PQ, Contact: flumigna (at) posgrad.iq.unesp.br Presentation: OP43
Title: Partial least square prediction of density and distillation curve of gasoline fuel from its chromatographic profiles determined by CG-FID Authors: Danilo L. Flumignan PG*, Fabrício O. Ferreira PG, Aristeu G. Tininis PQ, José E. Oliveira PQ, Contact: flumigna (at) posgrad.iq.unesp.br Presentation: P087
Title: Physical-chemical parameters determination of Brazilian C gasoline from ¹H NMR spectroscopy and Multiple Linear Regression (MLR) Authors: Fabrício O. Ferreira PG*, Danilo L. Flumignan PG, Aristeu G. Tininis, José E. Oliveira Contact: olifer (at) posgrad.iq.unesp.br Presentation: P088
Title: Spectroscopic on-line monitoring for dispersed medium reactions: Chemometric challenges Authors: Marlon M. Reis*, Pedro H. H. Araújo, Claudia Sayer, Reinaldo Giudici Contact: reismarlon (at) uol.com.br Presentation: OP41
Title: The use of PAT in primary pharmaceutical manufacturing Authors: Ana P. Ferreira, Licínia Rodrigues, João A. Lopes, José C. Menezes* Contact: bsel (at) ist.utl.pt Presentation:
Title: Study of concomitants in Thermospray Flame Furnace Atomic Absorption Spectrometry – TS-FF-AAS using Principal Component Analysis Authors: Patrícia K. Stocco and Edenir R. Pereira-Filho* Contact: edenir (at) puc-campinas.edu.br Presentation: P089
Title: A sensibility test to detect adulteration of the mixture biodiesel – diesel by FTIR Authors: Renzo C. Silva*, Michel B. Weber, Eustáquio V. R. de Castro, Edna F. de Medeiros, Vinicius L. Skrobot Contact: renzocsilva (at) gmail.com Presentation: P090
Process Control
Title: Automatic calibration method for NIR - Measuring calibration quality Authors: Bossart Roman*, Büchi Labortechnik AG, Flawil, Switzerland Contact: bossart.r (at) buchi.com Presentation: OP36
Title: Predicting methanol and water content in biodiesel by near infrared spectroscopy Authors: Pedro Felizardo, Margarida Sousa Uva, Patrícia Baptista, José C. Menezes, M. Joana Neiva Correia* Contact: qjnc (at) mail.ist.utl.pt Presentation: P091
Title: Water addition control in a continuous conversion reactor Authors: Howard W. Ward*, Frank Sistare Contact: howard.w.ward (at) pfizer.com Presentation: OP42
Title: Rapid characterization of fuel quality parameters: building a “smart” fuel handling capability Authors: Kevin Johnson*, Robert Morris, and Susan Rose-Pehrsson Contact: kevin.johnson (at) nrl.navy.mil Presentation: P092
Title: Analysis of instrumental data (X), on-line monitoring data (Z) and quality data (Y) Authors: Satu-Pia Reinikainen*, Kari Aaljoki, Annikki Perkiö, Taito Väänänen, Agnar Höskuldsson Contact: satu-pia.mujunen (at) lut.fi Presentation: P093

Chemometrics in Environmental Science

Title: Chemometric study on the TiO2-photocatalytic degradation of nitrilotriacetic acid Authors: Carina A. Emilio, Marta I. Litter, Jorge F. Magallanes* Contact: magallan (at) cnea.gov.ar Presentation: P001

Title: Alternative calibration approaches for LC-MS quantitative determination of coeluted compounds in complex environmental mixtures using multivariate curve resolution Authors: Emma Peré-Trepat*, Silvia Lacorte, Romà Tauler Contact: emma (at) apolo.qui.ub.es Presentation: OP04

Title: Multivariate analysis as a tool for the landfill exploration Authors: Evgeniy V. Mikhailov*, Oxana Ye. Rodionova, Alexey L. Pomerantsev Contact: evgeniystat (at) gmail.com Presentation: P002

Title: Recognition of protozoa and metazoa using image analysis tools, discriminant analysis and neural network Authors: Ginoris Y.P.*, Amaral L.A, Nicolau A., Ferreira E. C., Coelho M. A. Z. Contact: Yovankaperez (at) yahoo.com.br Presentation: P003

Title: Evaluation of the use of Artificial Neural Networks (ANN) in taxonomy. Towards automating Insect Identification Authors: Havel Josef*, Vanhara Jaromír Contact: havel (at) chemi.muni.cz Presentation: OP01

Title: Application HCA and PCA in the discrimination polluted and not polluted water bodies in the Amazon Region Authors: Henrique E. B. Silva*, Francisco S. Panero and Marjose A. de S. Israel Contact: hebsquim (at) globo.com Presentation: P004

Title: Factorial analysis of the trialomethanes formation in water disinfection using chlorine Authors: Joaquim C.G. Esteves da Silva*, Maria Cristina G. Antunes, Pedro M.S.M. Rodrigues. Contact: jcsilva (at) fc.up.pt Presentation: P005

Title: MCR of the quenching of the EEM of fluorescence of humic substances by metal ions Authors: Joaquim C.G. Esteves da Silva*, Claudia C.C. Pereira, Maria Cristina G. Antunes Contact: jcsilva (at) fc.up.pt Presentation: OP03

Title: Angular distances among objects as a tool in the source–receptor problem Authors: Jorge F. Magallanes*, Leonardo Murruni, Darío Gomez, Patricia Smichowski, and Raquel Gettar Contact: magallan (at) cnea.gov.ar Presentation: OP02

Title: Effect of missing values in estimation of mean of auto-correlated measurement series Authors: Maaret Paakkunainen*, Jarmo Kilpeläinen, Satu-Pia Reinikainen, Pentti Minkkinen Contact: maaret.paakkunainen (at) lut.fi Presentation: OP06

Title: Development of PLS calibration models from UV-Vis spectra for TOC estimation in wastewater samples Authors: Nídia D. Lourenço*, José C. Menezes, Helena M. Pinheiro and David Diniz Contact: pcic077 (at) mail.ist.utl.pt Presentation: OP07

Title: Comparison of two methods, genetic algorithms and effective variance, for the solution of the chemical mass balance Authors: Silvia Reich*, Fabiana Robledo, Darío Gomez, Patricia Smichowski, and Raquel Gettar Contact: silreich (at) cnea.gov.ar Presentation: P007

Title: Study of the electrochemical passivation by phenolics compounds using QSPR Authors: Reinaldo F. Teófilo*, Rudolf Kiralj, Lauro T. Kubota, Márcia M.C. Ferreira. Contact: teofilo (at) iqm.unicamp.br Presentation:P010

Title: Multivariate Analysis of Circum-Arctic Oils Authors: L. Scott Ramos* and Ken E. Peters Contact: scott_ramos (at) infometrix.com Presentation:P011

Title: Photolytic study of decabromodiphenyl ether by UV spectrophotometry and multivariate cruve resolution Authors: Sílvia Mas*, Anna de Juan, Sílvia Lacorte, Romà Tauler Contact: smgqam (at) iiqab.csic.es Presentation: P012

Chemometrics in Food Science and Agriculture

Title: Quality Assessment of Espinheira-Santa Phytomedicines Using 1H NMR Spectroscopy and Principal Component Analysis Authors: Cristina Daolio, Glaucia Braz Alcantara*, Antonio Gilberto Ferreira, Marcia Miguel Castro Ferreira Contact: glabraz (at) yahoo.com.br Presentation: P016

Title: Geographic origins of virgin olive oils determined by chemometric analysis of NIR spectra Authors: Nathalie Dupuy, Oswin Galtier*, Yveline Le Dréau, Denis Ollivier, Christian Pinatel, Jacky Kister, Jacques Artaud Presentation: OP48

Title: A comparative study of Bauhinia species by FTIR fingerprint and chemometric analysis Authors: Fernanda Delaroza*, Patrícia Kaori Soares, Ieda Spacino Scarminio. Contact: fernandadelaroza (at) yahoo.com.br Presentation: P017

Title: Quality control of olive fruits and virgin olive oils by chemometric analysis of NIR spectra Authors: Oswin Galtier*, Nathalie Dupuy, Yveline Le Dréau, Denis Ollivier, Christian Pinatel, Jacky Kister, Jacques Artaud Contact: oswin.galtier (at) univ.u-3mrs.fr Presentation: P018

Title: Chemometric analysis applied in intact lichens samples using (HR-MAS) 1H NMR and IR data for chemotaxonomic discrimination Authors: Glaucia Braz Alcantara*, Neli Kika Honda, Márcia Miguel Castro Ferreira, Antonio Gilberto Ferreira. Contact: glabraz (at) yahoo.com.br Presentation: P019

Title: Response surface methodology for optimization of biopesticides poduction using industrial wastewater as substrate Authors: Guilherme Augusto Moreira, Héctor Goicoechea, Alejandro Beccaria Contact: guile (at) ufpr.br Presentation: P020

Title: Application by extended multiplicative signal correction to reflectance difuse the near-infrared of aation for shrimp Authors: Henrique E. B. Silva*, Francisco S. Panero and Lívia P. D. Ribeiro Contact: hebsquim (at) globo.com Presentation: P021

Title: On-line monitoring of a transesterification reaction of soybean oil with ethanol by FT-IR spectroscopy and H-1 NMR Authors: Marcello G. Trevisan, Camila M. Garcia, Ulf F. Schuchardt and Ronei J. Poppi* Contact: ronei (at) iqm.unicamp.br Presentation: P022

Title: X-Ray Spectroscopy and multivariate calibration applied to plant leaves Authors: Maria Izabel Maretti Silveira Bueno*, Anne Hélène Fostier and Karine Chiquim Contact: bell (at) iqm.unicamp.br Presentation: P023

Title: Spectral data reduction by using multivariate methods in factorial discriminant analysis Authors: Nathalie Estephan*, Naïm Ouaini, Douglas N. Rutledge Contact: nathalieestephan (at) usek.edu.lb Presentation: OP46

Title: Chromatographic fingerprint preparation and authentication of the plant material of Bauhinia genus by multivariate methodology Authors: Fernanda Delaroza*, Patrícia Kaori Soares, Ieda Spacino Scarminio. Contact: fernandadelaroza (at) yahoo.com.br Presentation: P024

Title: Broad-based calibration for quality control of mayonnaise Authors: Paulo Augusto da Costa Filho Contact: pauloaugusto.dacostafilho (at) rdls.nestle.com Presentation: P025

Title: Application of genetic algorithm for variables selection in BLLS method for pesticides and metabolites determinations in wine Authors: Renato L. Carneiro, Jez W. B. Braga*, Carla B. G. Bottoli and Ronei J. Poppi. Contact: jbraga (at) iqm.unicamp.br Presentation: P026

Title: Exploratory data analysis of commercial coffees with different roasting degrees using chromatograms obtained from SPME-GC-FID Authors: Juliano S. Ribeiro*, Reinaldo F. Teofilo, Fábio Augusto and Márcia M.C. Ferreira Contact: jribeiro (at) iqm.unicamp.br Presentation: P027

Title: Exploratory data analysis of commercial coffees with different roasted degrees and process using diffuse reflection mid-infrared spectroscopy Authors: Ribeiro, J. S.*, Salva, T. and Ferreira, M. M. C. Contact: jribeiro (at) iqm.unicamp.br Presentation: P028

Title: Analysis of lipid extract of plants with citrus death using GC-MS and chemometrics Authors: Rosilene Aparecida Prestes*, Luiz Alberto Colnago, Emanuel Carrilho, Nelson Wulf, Nelson Roberto Antoniosi Filho Contact: rosilene (at) cnpdia.embrapa.br Presentation: P029

Title: Determination of sweetness degrees of sugars by X-Ray Spectrometry allied to chemometrics Authors: Thais Levatti Alexandre, Karen Goraieb and Maria Izabel Maretti Silveira Bueno* Contact: bell (at) iqm.unicamp.br Presentation: P30

Title: Enriched flour characteristics investigation using principal component analysis Authors: Thaís R. Boen, Bruno T. Soeiro, Edenir R. Pereira-Filho, Juliana A. Lima-Pallone* Contact: julianalima (at) puc-campinas.edu.br Presentation: P031

Title: Tracing the origin of food Authors: B. Üstün*, G. van der Veer, W. J. Melssen, L. M. C. Buydens Contact: b.ustun (at) science.ru.nl Presentation: P032

Title: Sensory panel data analysis: An information theory oriented approach Authors: Vitor V. Lopes*, Rui C. Martins and A. C. Rosa Contact: vlopes (at) mail.ist.utl.pt Presentation: OP05

Chemometrics in Industry

Title: Simultaneuosly calibrating solids, sugars and acidity of tomato products using PLS2 and NIR spectroscopy Authors: André M. K. Pedro* and Márcia M. C. Ferreira Contact: andre.k.pedro (at) unilever.com Presentation: OP35

Title: Prediction of kerosene physical – chemical properties from its FT-MIR spectral features Authors: Angel Dago Morales, Isneri Talavera*, Noslen Hernández Contact: italavera (at) cenatav.co.cu Presentation: P033

Title: Determination of nicotine, TAR and carbom monoxide in cigarette samples using PLS-ATR/FT-IR Authors: Edson Irineu Muller, Graciele Parisotto, Fabiana Ernestina Barcellos da Silva, Marco Flôres Ferrão, Erico Marlon Moraes Flores* Contact: flores (at) quimica.ufsm.br Presentation: P035

Title: Method for Ginsenosides quantification in dry extract of Ginseng by HPLC-DAD and PARAFAC Authors: Fabiana Alves de Lima Ribeiro*, André Luiz Rosa, Fernando Dias Barboza, Márcia Cristina Breitkreitz, José Antônio Martins Contact: iipf (at) institutoipf.org.br Presentation: OP25

Title: Evaluation of primers submitted to exposure tests using gray scale histograms and PCA Authors: Fabíola M. Verbi Pereira* and Maria Izabel M. Silveira Bueno Contact: fverbi (at) iqm.unicamp.br Presentation: P036

Title: Multivariate calibration for density determination in varnishes Authors: Fabíola M. Verbi Pereira* and Maria Izabel M. Silveira Bueno Contact: fverbi (at) iqm.unicamp.br Presentation: P037

Title: Analysis of uncertainty in combustion process data Authors: Jarmo Kilpeläinen*, Satu-Pia Reinikainen, Maaret Paakkunainen, Pentti Minkkinen Contact: jarmo.kilpelainen (at) lut.fi Presentation: P039

Title: Principal components analysis applied to geochemical characterization of petroleum Authors: Juliana B. Tamanqueira , Julio césar M. Dias *, Félix.T.T. Gonçalves , Luíz Landau , Débora A. Azevedo Contact: juliocmd (at) petrobras.com.br Presentation: P041

Title: Chemometric study of Brazilian crude oil profile Authors: Julio César M. Dias *, Paula F. de Aguiar Contact: juliocmd (at) petrobras.com.br Presentation: P042

Title: Advanced volume sensor: pattern recognition and Bayesian reasoning for multicriteria damage control Authors: Kevin J. Johnson*, Christian P. Minor, and Susan L. Rose-Pehrsson Contact: kevin.johnson (at) nrl.navy.mil Presentation: OP39

Title: Near infrared spectroscopy and multivariate calibration for quality control of enalapril maleate tablets Authors: Márcia Cristina Breitkreitz*, Fabiana Alves de Lima Ribeiro, Fernando Dias Barboza, José Antônio Martins Contact: iipf (at) institutoipf.org.br Presentation: OP37

Title: Non-destructive method for determination of hydroxyl value of soybean polyol by LS-SVM using HATR/FT-IR Authors: Marco F. Ferrão, Simone C. Godoy, Annelise E. Gerbase, Cesar Mello*, João Carlos Furtado, Cesar L. Petzhold and Ronei Jesus Poppi Presentation: OP38

Title: Neural networks applied to quantification of methyldopa in pharmaceutical formulations Authors: Marco F. Ferrão*, Rolf Fredi Molz, João Carlos Furtado, Pedro Henrique A. Konzen and Geraldo L. Crossetti Contact: ferrao (at) unisc.br Presentation: P043

Title: Contribution of the multiway analysis to the interpretation of the mechanisms of oxidation. A comparison approach Authors: Priéri F. *, Saby C.-A. , Le-Dréau Y., Gresser E. , Kister J. Contact: florence.prieri (at) univ.u-3mrs.fr Presentation: P045

Title: Margarine products quality monitoring using reflectance UV-VIS-SWNIR spectroscopy Authors: Rui C. Martins, Vitor V. Lopes,* and A. A. Vicente Contact: vlopes (at) mail.ist.utl.pt Presentation: P046

Title: On-line determination of kraft liquor constituents by Fourier-transform Near Infrared (FT-NIR) spectroscopy Authors: Thanh Trung*, Denys Leclerc, Mike Kester, and Jim Carver Contact: TTrung (at) paprican.ca Presentation: OP40

Title: Determination of nimesulide tablets employing IPLS and DRIFTS Authors: *Wérickson Fortunato de Carvalho Rocha, André Luiz Rosa,,José Antônio Martins, Ronei Jesus Poppi Contact: werickson03 (at) yahoo.com.br Presentation: P047

Chemometric Methods

Title: Combination of genetic algorithm and partial least squares for cloud point prediction of nonionic surfactants from Authors: Jahanbakhsh Ghasemi*, Shahin Ahmadi Contact: jahan.ghasemi (at) gmail.com Presentation: P048

Title: NIR quantitative analysis of textile blends : focus on the selection of relevant variable Authors: Alexandra DURAND*, Olivier DEVOS, Cyril RUCKEBUSCH, Jean-Pierre HUVENNE Contact: alexandra1.durand (at) ed.univ-lille1.fr Presentation: OP16

Title: Hybrid hard- and soft-modelling for chemical process analysis Authors: Anna de Juan*, Marcel Maeder and Romà Tauler. Contact: anna.dejuan (at) ub.edu Presentation: OP15

Title: Interpretation of regression vectors: past and present views Authors: Christopher D. Brown* Contact: cbrown (at) ahuracorp.com Presentation: OP17

Title: Chemometric challenges for tricorders Authors: Christopher D. Brown*, Gregory Vander Rhodes Contact: cbrown (at) ahuracorp.com Presentation: P049

Title: Fully automated indirect hard modeling with identification of unknown pure component spectra Authors: Ernesto Kriesten*, Wolfgang Marquardt Contact: kriesten (at) lpt.rwth-aachen.de Presentation: OP18

Title: Class-modeling using multilayer feed-forward neural networks. Theory and applications Authors: Federico Marini.*, Antonio L. Magrì, Remo Bucci, Andrea D. Magrì. Contact: fmmonet (at) hotmail.com Presentation: P050

Title: PCA applied to pen paints analyzed by mid FTIR spectroscopy Authors: Fernando Schimidt*, Fabio Iecks Gomes Torres and Deolinda Martins Contact: atperkin (at) hplc.com.br Presentation: P051

Title: Finding relevant variables between analytical instruments by use of cross model validation Authors: Frank Westad*, Rasmus Bro Contact: frank.westad (at) ge.com Presentation: P051

Title: X-ray scattering and multivariate analysis as an analytical technique for classification of organic samples Authors: Gisele Gonçalves Bortoleto, Simone Soares de Oliveira Borges and Maria Izabel Maretti Silveira Bueno* Contact: bell (at) iqm.unicamp.br Presentation: P053

Title: Application of genetic algorithms to kinetic model fitting: multi-objective optimisation and kinetic model optimisation Authors: Graeme Puxty*, Stefano Gianoli, Marcel Maeder and Konrad Hungerbühler Contact: graeme.puxty (at) chem.ethz.ch Presentation: OP19

Title: Theoretical foundations of analysis of variance-principal components analysis Authors: Peter de Boves Harrington*, Ping Chen, and Alfred Yergey Contact: peter.harrington (at) ohio.edu Presentation: P054

Title: Combination of experimental design and artificial neural networks for optimization in capillary electrophoresis Authors: Ben Hameda Azdeen*, Elosta Shaban, Havel Josef Contact: hameda (at) chemi.muni.cz Presentation: P055

Title: Optimal wavelet filtering of coaveraged instrumental signals employing statistics from individual scans Authors: Heronides A. Dantas Filho*, Roberto K. H. Galvão, Celio Pasquini, Mário César U. Araújo. Contact: heronides (at) iqm.unicamp.br Presentation: P057

Title: Self-Modeling Curve Resolution (SMCR) with Hybrid Genetic Algorithms (HGA) Authors: Hideyuki Shinzawa*, Makio Iwahashi, Yukihiro Ozaki Contact: shinzawa (at) ksc.kwansei.ac.jp Presentation: OP20

Title: Automatic adjustment of relative importance of different input variables for optimization of counter-propagation neural networks Authors: Igor Kuzmanovski*, Marjana Novic, Mira Trpkovska Contact: shigor (at) iunona.pmf.ukim.edu.mk Presentation: P058

Title: Multiple factor analysis as a tool for exploring multiblock data Authors: Ivana Stanimirova*, Beata Walczak Contact: istanimi (at) us.edu.pl Presentation: P059

Title: Comparison of BLLS-RBL, PLS-RBL and PARAFAC for pesticides and metabolites determinations in wine by SPE and HPLC-DAD Authors: Jez W. B. Braga*, Carla B. G. Bottoli, Héctor C. Goicoechea, Alexandro C. Olivieri and Ronei J. Poppi. Contact: jbraga (at) iqm.unicamp.br Presentation: P061

Title: Estimation of the uncertainty of classification in the K-nearest neighbour method using bootstrap Authors: Joe Luis Villa Medina, Joan Ferré, Ricard Boqué* Contact: ricard.boque (at) urv.cat Presentation: OP30

Title: Ghost spectroscopy: working without characteristic peaks Authors: Maria Izabel Maretti Silveira Bueno Contact: bell (at) iqm.unicamp.br Presentation: OP21

Title: Orthogonal projection approach to select dissimilar chromatographic systems Authors: Melanie Dumarey, Elke van Gyseghem, Yvan Vander Heyden* Contact: yvanvdh (at) vub.ac.be Presentation: P062

Title: From projection pursuit to PCA, robust PCA, ICA and other approaches Authors: Michal Daszykowski, Ivana Stanimirova and Beata Walczak Contact: mdaszyk (at) us.edu.pl Presentation: OP32

Title: Calculation of the reliability of classification for Discriminant Partial Least Squares (DPLS) Authors: Néstor F. Pérez, Ricard Boqué*, Joan Ferré. Contact: ricard.boque (at) urv.cat Presentation: P063

Title: Signal processing in the chromatographic analysis Authors: Tamas L. Pap Contact: pap (at) almos.vein.hu Presentation: OP29

Title: Chemometric study on the TiO₂-photocatalytic degradation of nitrilotriacetic acid
Authors: Carina A. Emilio, Marta I. Litter, Jorge F. Magallanes*
Contact: magallan (at) cnea.gov.ar
Presentation: P001

Title: Alternative calibration approaches for LC-MS quantitative determination of coeluted compounds in complex environmental mixtures using multivariate curve resolution
Authors: Emma Peré-Trepat*, Silvia Lacorte, Romà Tauler
Contact: emma (at) apolo.qui.ub.es
Presentation: OP04

Title: Multivariate analysis as a tool for the landfill exploration
Authors: Evgeniy V. Mikhailov*, Oxana Ye. Rodionova, Alexey L. Pomerantsev
Contact: evgeniystat (at) gmail.com
Presentation: P002

Title: Recognition of protozoa and metazoa using image analysis tools, discriminant analysis and neural network
Authors: Ginoris Y.P.*, Amaral L.A, Nicolau A., Ferreira E. C., Coelho M. A. Z.
Contact: Yovankaperez (at) yahoo.com.br
Presentation: P003

Title: Evaluation of the use of Artificial Neural Networks (ANN) in taxonomy. Towards automating Insect Identification
Authors: Havel Josef*, Vanhara Jaromír
Contact: havel (at) chemi.muni.cz
Presentation: OP01

Title: Application HCA and PCA in the discrimination polluted and not polluted water bodies in the Amazon Region
Authors: Henrique E. B. Silva*, Francisco S. Panero and Marjose A. de S. Israel
Contact: hebsquim (at) globo.com
Presentation: P004

Title: Factorial analysis of the trialomethanes formation in water disinfection using chlorine
Authors: Joaquim C.G. Esteves da Silva*, Maria Cristina G. Antunes, Pedro M.S.M. Rodrigues.
Contact: jcsilva (at) fc.up.pt
Presentation: P005

Title: MCR of the quenching of the EEM of fluorescence of humic substances by metal ions
Authors: Joaquim C.G. Esteves da Silva*, Claudia C.C. Pereira, Maria Cristina G. Antunes
Contact: jcsilva (at) fc.up.pt
Presentation: OP03

Title: Angular distances among objects as a tool in the source–receptor problem
Authors: Jorge F. Magallanes*, Leonardo Murruni, Darío Gomez, Patricia Smichowski, and Raquel Gettar
Contact: magallan (at) cnea.gov.ar
Presentation: OP02

Title: Effect of missing values in estimation of mean of auto-correlated measurement series
Authors: Maaret Paakkunainen*, Jarmo Kilpeläinen, Satu-Pia Reinikainen, Pentti Minkkinen
Contact: maaret.paakkunainen (at) lut.fi
Presentation: OP06

Title: Development of PLS calibration models from UV-Vis spectra for TOC estimation in wastewater samples
Authors: Nídia D. Lourenço*, José C. Menezes, Helena M. Pinheiro and David Diniz
Contact: pcic077 (at) mail.ist.utl.pt
Presentation: OP07

Title: Comparison of two methods, genetic algorithms and effective variance, for the solution of the chemical mass balance
Authors: Silvia Reich*, Fabiana Robledo, Darío Gomez, Patricia Smichowski, and Raquel Gettar
Contact: silreich (at) cnea.gov.ar
Presentation: P007

Title: Study of the electrochemical passivation by phenolics compounds using QSPR
Authors: Reinaldo F. Teófilo*, Rudolf Kiralj, Lauro T. Kubota, Márcia M.C. Ferreira.
Contact: teofilo (at) iqm.unicamp.br
Presentation:P010

Title: Multivariate Analysis of Circum-Arctic Oils
Authors: L. Scott Ramos* and Ken E. Peters
Contact: scott_ramos (at) infometrix.com
Presentation:P011

Title: Photolytic study of decabromodiphenyl ether by UV spectrophotometry and multivariate cruve resolution
Authors: Sílvia Mas*, Anna de Juan, Sílvia Lacorte, Romà Tauler
Contact: smgqam (at) iiqab.csic.es
Presentation: P012

Title: Quality Assessment of Espinheira-Santa Phytomedicines Using ¹H NMR Spectroscopy and Principal Component Analysis
Authors: Cristina Daolio, Glaucia Braz Alcantara*, Antonio Gilberto Ferreira, Marcia Miguel Castro Ferreira
Contact: glabraz (at) yahoo.com.br
Presentation: P016

Title: Geographic origins of virgin olive oils determined by chemometric analysis of NIR spectra
Authors: Nathalie Dupuy, Oswin Galtier*, Yveline Le Dréau, Denis Ollivier, Christian Pinatel, Jacky Kister, Jacques Artaud

Presentation: OP48

Title: A comparative study of Bauhinia species by FTIR fingerprint and chemometric analysis
Authors: Fernanda Delaroza*, Patrícia Kaori Soares, Ieda Spacino Scarminio.
Contact: fernandadelaroza (at) yahoo.com.br
Presentation: P017

Title: Quality control of olive fruits and virgin olive oils by chemometric analysis of NIR spectra
Authors: Oswin Galtier*, Nathalie Dupuy, Yveline Le Dréau, Denis Ollivier, Christian Pinatel, Jacky Kister, Jacques Artaud
Contact: oswin.galtier (at) univ.u-3mrs.fr
Presentation: P018

Title: Chemometric analysis applied in intact lichens samples using (HR-MAS) 1H NMR and IR data for chemotaxonomic discrimination
Authors: Glaucia Braz Alcantara*, Neli Kika Honda, Márcia Miguel Castro Ferreira, Antonio Gilberto Ferreira.
Contact: glabraz (at) yahoo.com.br
Presentation: P019

Title: Response surface methodology for optimization of biopesticides poduction using industrial wastewater as substrate
Authors: Guilherme Augusto Moreira, Héctor Goicoechea, Alejandro Beccaria
Contact: guile (at) ufpr.br
Presentation: P020

Title: Application by extended multiplicative signal correction to reflectance difuse the near-infrared of aation for shrimp
Authors: Henrique E. B. Silva*, Francisco S. Panero and Lívia P. D. Ribeiro
Contact: hebsquim (at) globo.com
Presentation: P021

Title: On-line monitoring of a transesterification reaction of soybean oil with ethanol by FT-IR spectroscopy and H-1 NMR
Authors: Marcello G. Trevisan, Camila M. Garcia, Ulf F. Schuchardt and Ronei J. Poppi*
Contact: ronei (at) iqm.unicamp.br
Presentation: P022

Title: X-Ray Spectroscopy and multivariate calibration applied to plant leaves
Authors: Maria Izabel Maretti Silveira Bueno*, Anne Hélène Fostier and Karine Chiquim
Contact: bell (at) iqm.unicamp.br
Presentation: P023

Title: Spectral data reduction by using multivariate methods in factorial discriminant analysis
Authors: Nathalie Estephan*, Naïm Ouaini, Douglas N. Rutledge
Contact: nathalieestephan (at) usek.edu.lb
Presentation: OP46

Title: Chromatographic fingerprint preparation and authentication of the plant material of Bauhinia genus by multivariate methodology
Authors: Fernanda Delaroza*, Patrícia Kaori Soares, Ieda Spacino Scarminio.
Contact: fernandadelaroza (at) yahoo.com.br
Presentation: P024

Title: Broad-based calibration for quality control of mayonnaise
Authors: Paulo Augusto da Costa Filho
Contact: pauloaugusto.dacostafilho (at) rdls.nestle.com
Presentation: P025

Title: Application of genetic algorithm for variables selection in BLLS method for pesticides and metabolites determinations in wine
Authors: Renato L. Carneiro, Jez W. B. Braga*, Carla B. G. Bottoli and Ronei J. Poppi.
Contact: jbraga (at) iqm.unicamp.br
Presentation: P026

Title: Exploratory data analysis of commercial coffees with different roasting degrees using chromatograms obtained from SPME-GC-FID
Authors: Juliano S. Ribeiro*, Reinaldo F. Teofilo, Fábio Augusto and Márcia M.C. Ferreira
Contact: jribeiro (at) iqm.unicamp.br
Presentation: P027

Title: Exploratory data analysis of commercial coffees with different roasted degrees and process using diffuse reflection mid-infrared spectroscopy
Authors: Ribeiro, J. S.*, Salva, T. and Ferreira, M. M. C.
Contact: jribeiro (at) iqm.unicamp.br
Presentation: P028

Title: Analysis of lipid extract of plants with citrus death using GC-MS and chemometrics
Authors: Rosilene Aparecida Prestes*, Luiz Alberto Colnago, Emanuel Carrilho, Nelson Wulf, Nelson Roberto Antoniosi Filho
Contact: rosilene (at) cnpdia.embrapa.br
Presentation: P029

Title: Determination of sweetness degrees of sugars by X-Ray Spectrometry allied to chemometrics
Authors: Thais Levatti Alexandre, Karen Goraieb and Maria Izabel Maretti Silveira Bueno*
Contact: bell (at) iqm.unicamp.br
Presentation: P30

Title: Enriched flour characteristics investigation using principal component analysis
Authors: Thaís R. Boen, Bruno T. Soeiro, Edenir R. Pereira-Filho, Juliana A. Lima-Pallone*
Contact: julianalima (at) puc-campinas.edu.br
Presentation: P031

Title: Tracing the origin of food
Authors: B. Üstün*, G. van der Veer, W. J. Melssen, L. M. C. Buydens
Contact: b.ustun (at) science.ru.nl
Presentation: P032

Title: Sensory panel data analysis: An information theory oriented approach
Authors: Vitor V. Lopes*, Rui C. Martins and A. C. Rosa
Contact: vlopes (at) mail.ist.utl.pt
Presentation: OP05

Title: Simultaneuosly calibrating solids, sugars and acidity of tomato products using PLS2 and NIR spectroscopy
Authors: André M. K. Pedro* and Márcia M. C. Ferreira
Contact: andre.k.pedro (at) unilever.com
Presentation: OP35

Title: Prediction of kerosene physical – chemical properties from its FT-MIR spectral features
Authors: Angel Dago Morales, Isneri Talavera*, Noslen Hernández
Contact: italavera (at) cenatav.co.cu
Presentation: P033

Title: Determination of nicotine, TAR and carbom monoxide in cigarette samples using PLS-ATR/FT-IR
Authors: Edson Irineu Muller, Graciele Parisotto, Fabiana Ernestina Barcellos da Silva, Marco Flôres Ferrão, Erico Marlon Moraes Flores*
Contact: flores (at) quimica.ufsm.br
Presentation: P035

Title: Method for Ginsenosides quantification in dry extract of Ginseng by HPLC-DAD and PARAFAC
Authors: Fabiana Alves de Lima Ribeiro*, André Luiz Rosa, Fernando Dias Barboza, Márcia Cristina Breitkreitz, José Antônio Martins
Contact: iipf (at) institutoipf.org.br
Presentation: OP25

Title: Evaluation of primers submitted to exposure tests using gray scale histograms and PCA
Authors: Fabíola M. Verbi Pereira* and Maria Izabel M. Silveira Bueno
Contact: fverbi (at) iqm.unicamp.br
Presentation: P036

Title: Multivariate calibration for density determination in varnishes
Authors: Fabíola M. Verbi Pereira* and Maria Izabel M. Silveira Bueno
Contact: fverbi (at) iqm.unicamp.br
Presentation: P037

Title: Analysis of uncertainty in combustion process data
Authors: Jarmo Kilpeläinen*, Satu-Pia Reinikainen, Maaret Paakkunainen, Pentti Minkkinen
Contact: jarmo.kilpelainen (at) lut.fi
Presentation: P039

Title: Principal components analysis applied to geochemical characterization of petroleum
Authors: Juliana B. Tamanqueira , Julio césar M. Dias *, Félix.T.T. Gonçalves , Luíz Landau , Débora A. Azevedo
Contact: juliocmd (at) petrobras.com.br
Presentation: P041

Title: Chemometric study of Brazilian crude oil profile
Authors: Julio César M. Dias *, Paula F. de Aguiar
Contact: juliocmd (at) petrobras.com.br
Presentation: P042

Title: Advanced volume sensor: pattern recognition and Bayesian reasoning for multicriteria damage control
Authors: Kevin J. Johnson*, Christian P. Minor, and Susan L. Rose-Pehrsson
Contact: kevin.johnson (at) nrl.navy.mil
Presentation: OP39

Title: Near infrared spectroscopy and multivariate calibration for quality control of enalapril maleate tablets
Authors: Márcia Cristina Breitkreitz*, Fabiana Alves de Lima Ribeiro, Fernando Dias Barboza, José Antônio Martins
Contact: iipf (at) institutoipf.org.br
Presentation: OP37

Title: Non-destructive method for determination of hydroxyl value of soybean polyol by LS-SVM using HATR/FT-IR
Authors: Marco F. Ferrão, Simone C. Godoy, Annelise E. Gerbase, Cesar Mello*, João Carlos Furtado, Cesar L. Petzhold and Ronei Jesus Poppi

Presentation: OP38

Title: Neural networks applied to quantification of methyldopa in pharmaceutical formulations
Authors: Marco F. Ferrão*, Rolf Fredi Molz, João Carlos Furtado, Pedro Henrique A. Konzen and Geraldo L. Crossetti
Contact: ferrao (at) unisc.br
Presentation: P043

Title: Contribution of the multiway analysis to the interpretation of the mechanisms of oxidation. A comparison approach
Authors: Priéri F. *, Saby C.-A. , Le-Dréau Y., Gresser E. , Kister J.
Contact: florence.prieri (at) univ.u-3mrs.fr
Presentation: P045

Title: Margarine products quality monitoring using reflectance UV-VIS-SWNIR spectroscopy
Authors: Rui C. Martins, Vitor V. Lopes,* and A. A. Vicente
Contact: vlopes (at) mail.ist.utl.pt
Presentation: P046

Title: On-line determination of kraft liquor constituents by Fourier-transform Near Infrared (FT-NIR) spectroscopy
Authors: Thanh Trung*, Denys Leclerc, Mike Kester, and Jim Carver
Contact: TTrung (at) paprican.ca
Presentation: OP40

Title: Determination of nimesulide tablets employing IPLS and DRIFTS
Authors: *Wérickson Fortunato de Carvalho Rocha, André Luiz Rosa,,José Antônio Martins, Ronei Jesus Poppi
Contact: werickson03 (at) yahoo.com.br
Presentation: P047

Title: Combination of genetic algorithm and partial least squares for cloud point prediction of nonionic surfactants from
Authors: Jahanbakhsh Ghasemi*, Shahin Ahmadi
Contact: jahan.ghasemi (at) gmail.com
Presentation: P048

Title: NIR quantitative analysis of textile blends : focus on the selection of relevant variable
Authors: Alexandra DURAND*, Olivier DEVOS, Cyril RUCKEBUSCH, Jean-Pierre HUVENNE
Contact: alexandra1.durand (at) ed.univ-lille1.fr
Presentation: OP16

Title: Hybrid hard- and soft-modelling for chemical process analysis
Authors: Anna de Juan*, Marcel Maeder and Romà Tauler.
Contact: anna.dejuan (at) ub.edu
Presentation: OP15

Title: Interpretation of regression vectors: past and present views
Authors: Christopher D. Brown*
Contact: cbrown (at) ahuracorp.com
Presentation: OP17

Title: Chemometric challenges for tricorders
Authors: Christopher D. Brown*, Gregory Vander Rhodes
Contact: cbrown (at) ahuracorp.com
Presentation: P049

Title: Fully automated indirect hard modeling with identification of unknown pure component spectra
Authors: Ernesto Kriesten*, Wolfgang Marquardt
Contact: kriesten (at) lpt.rwth-aachen.de
Presentation: OP18

Title: Class-modeling using multilayer feed-forward neural networks. Theory and applications
Authors: Federico Marini.*, Antonio L. Magrì, Remo Bucci, Andrea D. Magrì.
Contact: fmmonet (at) hotmail.com
Presentation: P050

Title: PCA applied to pen paints analyzed by mid FTIR spectroscopy
Authors: Fernando Schimidt*, Fabio Iecks Gomes Torres and Deolinda Martins
Contact: atperkin (at) hplc.com.br
Presentation: P051

Title: Finding relevant variables between analytical instruments by use of cross model validation
Authors: Frank Westad*, Rasmus Bro
Contact: frank.westad (at) ge.com
Presentation: P051

Title: X-ray scattering and multivariate analysis as an analytical technique for classification of organic samples
Authors: Gisele Gonçalves Bortoleto, Simone Soares de Oliveira Borges and Maria Izabel Maretti Silveira Bueno*
Contact: bell (at) iqm.unicamp.br
Presentation: P053

Title: Application of genetic algorithms to kinetic model fitting: multi-objective optimisation and kinetic model optimisation
Authors: Graeme Puxty*, Stefano Gianoli, Marcel Maeder and Konrad Hungerbühler
Contact: graeme.puxty (at) chem.ethz.ch
Presentation: OP19

Title: Theoretical foundations of analysis of variance-principal components analysis
Authors: Peter de Boves Harrington*, Ping Chen, and Alfred Yergey
Contact: peter.harrington (at) ohio.edu
Presentation: P054

Title: Combination of experimental design and artificial neural networks for optimization in capillary electrophoresis
Authors: Ben Hameda Azdeen*, Elosta Shaban, Havel Josef
Contact: hameda (at) chemi.muni.cz
Presentation: P055

Title: Optimal wavelet filtering of coaveraged instrumental signals employing statistics from individual scans
Authors: Heronides A. Dantas Filho*, Roberto K. H. Galvão, Celio Pasquini, Mário César U. Araújo.
Contact: heronides (at) iqm.unicamp.br
Presentation: P057

Title: Self-Modeling Curve Resolution (SMCR) with Hybrid Genetic Algorithms (HGA)
Authors: Hideyuki Shinzawa*, Makio Iwahashi, Yukihiro Ozaki
Contact: shinzawa (at) ksc.kwansei.ac.jp
Presentation: OP20

Title: Automatic adjustment of relative importance of different input variables for optimization of counter-propagation neural networks
Authors: Igor Kuzmanovski*, Marjana Novic, Mira Trpkovska
Contact: shigor (at) iunona.pmf.ukim.edu.mk
Presentation: P058

Title: Multiple factor analysis as a tool for exploring multiblock data
Authors: Ivana Stanimirova*, Beata Walczak
Contact: istanimi (at) us.edu.pl
Presentation: P059

Title: Comparison of BLLS-RBL, PLS-RBL and PARAFAC for pesticides and metabolites determinations in wine by SPE and HPLC-DAD
Authors: Jez W. B. Braga*, Carla B. G. Bottoli, Héctor C. Goicoechea, Alexandro C. Olivieri and Ronei J. Poppi.
Contact: jbraga (at) iqm.unicamp.br
Presentation: P061

Title: Estimation of the uncertainty of classification in the K-nearest neighbour method using bootstrap
Authors: Joe Luis Villa Medina, Joan Ferré, Ricard Boqué*
Contact: ricard.boque (at) urv.cat
Presentation: OP30

Title: Ghost spectroscopy: working without characteristic peaks
Authors: Maria Izabel Maretti Silveira Bueno
Contact: bell (at) iqm.unicamp.br
Presentation: OP21

Title: Orthogonal projection approach to select dissimilar chromatographic systems
Authors: Melanie Dumarey, Elke van Gyseghem, Yvan Vander Heyden*
Contact: yvanvdh (at) vub.ac.be
Presentation: P062

Title: From projection pursuit to PCA, robust PCA, ICA and other approaches
Authors: Michal Daszykowski, Ivana Stanimirova and Beata Walczak
Contact: mdaszyk (at) us.edu.pl
Presentation: OP32

Title: Calculation of the reliability of classification for Discriminant Partial Least Squares (DPLS)
Authors: Néstor F. Pérez, Ricard Boqué*, Joan Ferré.
Contact: ricard.boque (at) urv.cat
Presentation: P063

Title: Signal processing in the chromatographic analysis
Authors: Tamas L. Pap
Contact: pap (at) almos.vein.hu
Presentation: OP29

Title: Software reliability engineering in chemometric methods
Authors: Satu-Pia Reinikainen*, Kari Aaljoki, Annikki Perkiö, Agnar Höskuldsson
Contact: satu-pia.mujunen (at) lut.fi
Presentation: P064

Title: TNO-DECO, an automatic procedure for deconvolution applied to metabolomics related studies
Authors: Renger H. Jellema*, Mariët J. van der Werf, Henk M. van Sonsbeek, Frans M. van der Kloet and Jack T.W.E. Vogels, Age K. Smilde
Contact: renger.jellema (at) tno.nl
Presentation: OP33

Title: A subagging strategy for multivariate calibration
Authors: Roberto Kawakami H. Galvão, Mário César Ugulino Araújo*, Marcelo N. Martins, Gledson E. José, Márcio J. C. Pontes, Edvan Cirino Silva, Teresa C. B. Saldanha.
Contact: laqa (at) quimica.ufpb.br
Presentation: P065

Title: Ordered predictors selection: an intuitive method to find the most relevant variables in multivariate regression
Authors: Reinaldo Francisco Teófilo, João Paulo Ataide Martins*, Márcia Miguel Castro Ferreira
Contact: jpmartins (at) iqm.unicamp.br
Presentation: P066