Definitive Screening Designs and latent variable modelling for the optimization of solid phase microextraction (SPME): Case study - Quantification of volatile fatty acids in wines

[1]  D. Rutledge,et al.  Headspace solid-phase microextraction for wine volatile analysis , 2017, Critical reviews in food science and nutrition.

[2]  J. Marques,et al.  Assessment of the development of browning, antioxidant activity and volatile organic compounds in thermally processed sugar model wines , 2017 .

[3]  I Stamati,et al.  Optimal experimental design for discriminating between microbial growth models as function of suboptimal temperature: From in silico to in vivo. , 2016, Food research international.

[4]  Ana C. Pereira,et al.  Modelling the ageing process: A novel strategy to analyze the wine evolution towards the expected features ☆ , 2016 .

[5]  R. N. Cavalcanti,et al.  Physico-chemical changes during storage and sensory acceptance of low sodium probiotic Minas cheese added with arginine. , 2016, Food chemistry.

[6]  A. Oberg,et al.  Optimizing Mass Spectrometry Analyses: A Tailored Review on the Utility of Design of Experiments , 2016, Journal of The American Society for Mass Spectrometry.

[7]  Sébastien Schramm,et al.  Use of experimental design in the investigation of stir bar sorptive extraction followed by ultra-high-performance liquid chromatography-tandem mass spectrometry for the analysis of explosives in water samples. , 2016, Journal of chromatography. A.

[8]  Ana Margarida Araújo,et al.  Optimisation and validation of a HS-SPME-GC-IT/MS method for analysis of carbonyl volatile compounds as biomarkers in human urine: Application in a pilot study to discriminate individuals with smoking habits. , 2016, Talanta.

[9]  Bradley Jones,et al.  21st century screening experiments: What, why, and how , 2016 .

[10]  Christopher J. Nachtsheim,et al.  Blocking Schemes for Definitive Screening Designs , 2016, Technometrics.

[11]  M. Farag,et al.  Volatiles and primary metabolites profiling in two Hibiscus sabdariffa (roselle) cultivars via headspace SPME-GC-MS and chemometrics. , 2015, Food research international.

[12]  Ana C. Pereira,et al.  Optimal design of experiments applied to headspace solid phase microextraction for the quantification of vicinal diketones in beer through gas chromatography-mass spectrometric detection. , 2015, Analytica chimica acta.

[13]  C. Duan,et al.  Study of free and glycosidically bound volatile compounds in air-dried raisins from three seedless grape varieties using HS-SPME with GC-MS. , 2015, Food chemistry.

[14]  G. Tan,et al.  Chemometric approach to the optimization of HS-SPME/GC-MS for the determination of multiclass pesticide residues in fruits and vegetables. , 2015, Food chemistry.

[15]  D. L. García-González,et al.  Validation of SPME-GCMS method for the analysis of virgin olive oil volatiles responsible for sensory defects. , 2015, Talanta.

[16]  L. Cuevas-Glory,et al.  GC–MS Characterization of Volatile Compounds in Habanero Pepper (Capsicum chinense Jacq.) by Optimization of Headspace Solid-Phase Microextraction Conditions , 2015, Food Analytical Methods.

[17]  F. Bakar,et al.  Linearity study on detection and quantification limits for the determination of avermectins using linear regression , 2014, Journal of food and drug analysis.

[18]  M. P. Callao,et al.  Multivariate experimental design in environmental analysis , 2014 .

[19]  V. Yusà,et al.  Application of the experimental design of experiments (DoE) for the determination of organotin compounds in water samples using HS-SPME and GC-MS/MS. , 2014, Talanta.

[20]  E. Carasek,et al.  Screening of volatile compounds in honey using a new sampling strategy combining multiple extraction temperatures in a single assay by HS-SPME-GC-MS. , 2014, Food chemistry.

[21]  Pedro A. Salgueiro,et al.  Weighted calibration with reduced number of signals by weighing factor modelling: application to the identification of explosives by ion chromatography. , 2013, Analytica chimica acta.

[22]  A. Alves,et al.  Optimisation and application of dispersive liquid–liquid microextraction for simultaneous determination of carbamates and organophosphorus pesticides in waters , 2013 .

[23]  B. Jones,et al.  Three-Stage Industrial Strip-Plot Experiments* , 2013 .

[24]  V. Gerbi,et al.  Quantification by solid phase micro extraction and stable isotope dilution assay of norisoprenoid compounds in red wines obtained from Piedmont rare varieties. , 2012, Food chemistry.

[25]  D Brynn Hibbert,et al.  Experimental design in chromatography: a tutorial review. , 2012, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.

[26]  T. Pérez-Palacios,et al.  Quantification of furanic compounds in coated deep-fried products simulating normal preparation and consumption: optimisation of HS-SPME analytical conditions by response surface methodology. , 2012, Food chemistry.

[27]  L. Sarabia,et al.  Optimization of headspace experimental factors to determine chlorophenols in water by means of headspace solid-phase microextraction and gas chromatography coupled with mass spectrometry and parallel factor analysis. , 2012, Analytica chimica acta.

[28]  G. Sindona,et al.  A reliable solid phase microextraction-gas chromatography-triple quadrupole mass spectrometry method for the assay of selenomethionine and selenomethylselenocysteine in aqueous extracts: difference between selenized and not-enriched selenium potatoes. , 2012, Analytica chimica acta.

[29]  G. Sindona,et al.  A solid-phase microextraction-gas chromatographic approach combined with triple quadrupole mass spectrometry for the assay of carbamate pesticides in water samples. , 2012, Journal of chromatography. A.

[30]  A. Melo,et al.  Optimisation of a solid-phase microextraction/HPLC/Diode Array method for multiple pesticide screening in lettuce , 2012 .

[31]  N. Goto-Yamamoto,et al.  Simple method for the simultaneous quantification of medium-chain fatty acids and ethyl hexanoate in alcoholic beverages by gas chromatography-flame ionization detector: development of a direct injection method. , 2011, Journal of chromatography. A.

[32]  F. Hernández,et al.  Determination of volatile organic compounds in water by headspace solid-phase microextraction gas chromatography coupled to tandem mass spectrometry with triple quadrupole analyzer. , 2011, Analytica chimica acta.

[33]  Bieke Dejaegher,et al.  Experimental designs and their recent advances in set-up, data interpretation, and analytical applications. , 2011, Journal of pharmaceutical and biomedical analysis.

[34]  M. C. Ortiz,et al.  Optimization of the derivatization reaction and the solid-phase microextraction conditions using a D-optimal design and three-way calibration in the determination of non-steroidal anti-inflammatory drugs in bovine milk by gas chromatography-mass spectrometry. , 2011, Journal of chromatography. A.

[35]  S. Olivero,et al.  A new method for the determination of short-chain fatty acids from the aliphatic series in wines by headspace solid-phase microextraction-gas chromatography-ion trap mass spectrometry. , 2011, Analytica chimica acta.

[36]  Y. Man,et al.  Optimization of equilibrium headspace analysis of volatile flavor compounds of malaysian soursop (Annona muricata): Comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS) , 2011 .

[37]  L. Pasti,et al.  Multi-residual GC-MS determination of personal care products in waters using solid-phase microextraction , 2011, Analytical and bioanalytical chemistry.

[38]  B. Zygmunt,et al.  Application of headspace solid-phase microextraction followed by gas chromatography–mass spectrometry to determine short-chain alkane monocarboxylic acids in aqueous samples , 2010, Analytical and bioanalytical chemistry.

[39]  Julien Tournebize,et al.  Design of experiments and detailed uncertainty analysis to develop and validate a solid-phase microextraction/gas chromatography-mass spectrometry method for the simultaneous analysis of 16 pesticides in water. , 2010, Journal of chromatography. A.

[40]  D. Weston.  Ambient ionization mass spectrometry: current understanding of mechanistic theory; analytical performance and application areas. , 2010, The Analyst.

[41]  M. Cai,et al.  Ultra trace analysis of 17 organochlorine pesticides in water samples from the Arctic based on the combination of solid-phase extraction and headspace solid-phase microextraction-gas chromatography-electron-capture detector. , 2010, Journal of chromatography. A.

[42]  Riccardo Leardi,et al.  Experimental design in chemistry: A tutorial. , 2009, Analytica chimica acta.

[43]  M. Bezerra,et al.  Chemometric tools in electroanalytical chemistry: Methods for optimization based on factorial design and response surface methodology , 2009 .

[44]  Olga Vitek,et al.  Statistical design of quantitative mass spectrometry-based proteomic experiments. , 2009, Journal of proteome research.

[45]  J. Moutinho-Pereira,et al.  Effects of elevated CO2 on grapevine (Vitis vinifera L.): volatile composition, phenolic content, and in vitro antioxidant activity of red wine. , 2009, Journal of agricultural and food chemistry.

[46]  Ying Zhang,et al.  Optimization of headspace solid-phase microextraction for analysis of ethyl carbamate in alcoholic beverages using a face-centered cube central composite design. , 2008, Analytica chimica acta.

[47]  M. Bezerra,et al.  Response surface methodology (RSM) as a tool for optimization in analytical chemistry. , 2008, Talanta.

[48]  S. Ferreira,et al.  Multivariate optimization of a solid phase microextraction-headspace procedure for the determination of benzene, toluene, ethylbenzene and xylenes in effluent samples from a waste treatment plant. , 2008, Journal of Chromatography A.

[49]  R. Cela,et al.  Development of a solid-phase microextraction gas chromatography with microelectron-capture detection method for a multiresidue analysis of pesticides in bovine milk. , 2008, Analytica chimica acta.

[50]  Grady Hanrahan,et al.  Chemometric experimental design based optimization techniques in capillary electrophoresis: a critical review of modern applications , 2008, Analytical and bioanalytical chemistry.

[51]  S. Ferreira,et al.  Box-Behnken design: an alternative for the optimization of analytical methods. , 2007, Analytica chimica acta.

[52]  C. Collins,et al.  Validation of chromatographic methods: evaluation of detection and quantification limits in the determination of impurities in omeprazole. , 2007, Journal of chromatography. A.

[53]  Fabio Augusto,et al.  Neuro-genetic multioptimization of the determination of polychlorinated biphenyl congeners in human milk by headspace solid phase microextraction coupled to gas chromatography with electron capture detection. , 2007, Analytica chimica acta.

[54]  J. Marques,et al.  Quantitative gas chromatography–olfactometry and chemical quantitative study of the aroma of four Madeira wines , 2006 .

[55]  José C. Marques,et al.  Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds , 2006 .

[56]  D. Giuffrida,et al.  Characterization of “Provola dei Nebrodi”, a typical Sicilian cheese, by volatiles analysis using SPME-GC/MS , 2005 .

[57]  F. Malcata,et al.  Volatile free fatty acids as ripening indicators for Serra da Estrela cheese. , 2004, Journal of dairy science.

[58]  Cristina M Quintella,et al.  Doehlert matrix: a chemometric tool for analytical chemistry-review. , 2004, Talanta.

[59]  J. Vial,et al.  Use of solid-phase microextraction coupled with gas chromatography for the determination of residual solvents in pharmaceutical products. , 2003, Journal of chromatography. A.

[60]  Remedios Castro Mejías,et al.  Optimisation of headspace solid-phase microextraction for the analysis of volatile phenols in wine. , 2003 .

[61]  F. Lestremau,et al.  Evaluation of solid-phase microextraction for time-weighted average sampling of volatile sulfur compounds at ppb concentrations. , 2003, Analytical chemistry.

[62]  S. Verma,et al.  Determination of lanthanides in synthetic standards by reversed-phase high-performance liquid chromatography with the aid of a weighted least-squares regression model estimation of method sensitivities and detection limits. , 2003, Journal of chromatography. A.

[63]  C. Domeño,et al.  Experimental design applied to the determination of several contaminants in Duero River by solid-phase microextraction , 2003 .

[64]  J. Antony.  3 – Understanding key interactions in processes , 2003 .

[65]  J. Vial,et al.  What is the best means of estimating the detection and quantification limits of a chromatographic method? , 2003 .

[66]  I. Ferreira,et al.  Solid-phase microextraction in combination with GC/MS for quantification of the major volatile free fatty acids in ewe cheese. , 2002, Analytical chemistry.

[67]  E. Millán,et al.  Optimization of headspace solid-phase microextraction by means of an experimental design for the determination of methyl tert.-butyl ether in water by gas chromatography-flame ionization detection. , 2002, Journal of chromatography. A.

[68]  Carmelo García Barroso,et al.  Optimisation of headspace solid-phase microextraction for analysis of aromatic compounds in vinegar. , 2002 .

[69]  A. González-Córdova,et al.  Quantitative determination of short-chain free fatty acids in milk using solid-phase microextraction and gas chromatography. , 2001, Journal of agricultural and food chemistry.

[70]  Juan Cacho,et al.  Quantitative determination of the odorants of young red wines from different grape varieties , 2000 .

[71]  Alain Jardy,et al.  Experimental Comparison of the Different Approaches To Estimate LOD and LOQ of an HPLC Method , 1999 .

[72]  T. Lundstedt,et al.  Experimental design and optimization , 1998 .

[73]  A. G. González,et al.  Two level factorial experimental designs based on multiple linear regression models : a tutorial digest illustrated by case studies , 1998 .

[74]  Richard G. Brereton,et al.  Experimental design I. Screening , 1996 .