USE AND ABUSE OF CHEMOMETRICS IN CHROMATOGRAPHY
暂无分享,去创建一个
[1] A de Juan,et al. Characterization of the polarity of reversed-phase liquid chromatographic stationary phases in the presence of 1-propanol using solvatochromism and multivariate curve resolution. , 2001, Analytical chemistry.
[2] D. Massart,et al. Orthogonal projection approach applied to peak purity assessment. , 1996, Analytical chemistry.
[3] David L. Donoho,et al. De-noising by soft-thresholding , 1995, IEEE Trans. Inf. Theory.
[4] Mohammad Hossein Fatemi,et al. Quantitative structure-property relationship studies of migration index in microemulsion electrokinetic chromatography using artificial neural network. , 2003, Journal of chromatography. A.
[5] Willem Windig,et al. Fast interpretation of complex LC/MS data using chemometrics , 2001 .
[6] Romà Tauler,et al. Chemometrics applied to unravel multicomponent processes and mixtures: Revisiting latest trends in multivariate resolution , 2003 .
[7] P. Eilers. Parametric time warping. , 2004, Analytical chemistry.
[8] Stéphane Mallat,et al. A Theory for Multiresolution Signal Decomposition: The Wavelet Representation , 1989, IEEE Trans. Pattern Anal. Mach. Intell..
[9] Yongyi Mao,et al. Informatics Platform for Global Proteomic Profiling and Biomarker Discovery Using Liquid Chromatography-Tandem Mass Spectrometry*S , 2004, Molecular & Cellular Proteomics.
[10] B. Walczak,et al. Fuzzy warping of chromatograms , 2005 .
[11] P. Eilers. A perfect smoother. , 2003, Analytical chemistry.
[12] S. Jacobsson,et al. Extensions to peak alignment using reduced set mapping: classification of LC/UV data from peptide mapping , 2004 .
[13] Edmund R. Malinowski,et al. Window factor analysis: Theoretical derivation and application to flow injection analysis data , 1992 .
[14] Rolf Danielsson,et al. Alignment of chromatographic profiles for principal component analysis: a prerequisite for fingerprinting methods , 1994 .
[15] Philip Zakaria,et al. Mixed-mode electrokinetic chromatography of aromatic bases with two pseudo-stationary phases and pH control. , 2003, Journal of chromatography. A.
[16] D. Massart,et al. A comparison of two algorithms for warping of analytical signals , 2002 .
[17] H. R. Keller,et al. Heuristic evolving latent projections: resolving two-way multicomponent data. 2. Detection and resolution of minor constituents , 1992 .
[18] Károly Héberger,et al. Principal component analysis of polymer–solvent and filler–solvent interactions by inverse gas chromatography , 2005 .
[19] P. Kearney,et al. Bioinformatics Meets Proteomics - Bridging the Gap between Massspectrometry Data Analysis and Cell Biology , 2003, J. Bioinform. Comput. Biol..
[20] Qing Yang,et al. Artificial neural network classification based on high-performance liquid chromatography of urinary and serum nucleosides for the clinical diagnosis of cancer. , 2002, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[21] D. Lincoln,et al. Assessment of chromatographic peak purity of drugs by multivariate analysis of diode-array and mass spectrometric data. , 1992, Journal of pharmaceutical and biomedical analysis.
[22] Károly Héberger,et al. Comparative analysis of different plant oils by high-performance liquid chromatography-atmospheric pressure chemical ionization mass spectrometry. , 2002, Journal of chromatography. A.
[23] Lu Xu,et al. The study of the relationship between the new topological index A(m) and the gas chromatographic retention indices of hydrocarbons by artificial neural networks. , 2005, Talanta.
[24] Romà Tauler,et al. Application of multivariate self-modeling curve resolution to the quantitation of trace levels of organophosphorus pesticides in natural waters from interlaboratory studies , 1996 .
[25] Richard G Brereton,et al. Application of multivariate curve resolution methods to on-flow LC-NMR. , 2005, Journal of chromatography. A.
[26] Yi-Zeng Liang,et al. Quality control of herbal medicines. , 2004, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[27] Marcel Maeder,et al. Evolving factor analysis, a new multivariate technique in chromatography , 1988 .
[28] Claus A. Andersson,et al. PARAFAC2—Part II. Modeling chromatographic data with retention time shifts , 1999 .
[29] M. Hubert,et al. Robust classification in high dimensions based on the SIMCA Method , 2005 .
[30] T. F. Moran,et al. Characterization of normal human cells by pyrolysis gas chromatography mass spectrometry. , 1979, Biomedical mass spectrometry.
[31] Barbara Hubbard,et al. The World According to Wavelets , 1996 .
[32] Sarah C. Rutan,et al. Steady state kinetic model constraint for Multivariate Curve Resolution-Alternating Least Squares analysis , 2005 .
[33] K. Markides,et al. Chromatographic alignment by warping and dynamic programming as a pre-processing tool for PARAFAC modelling of liquid chromatography-mass spectrometry data. , 2002, Journal of chromatography. A.
[34] J. Frisvad,et al. Full second-order chromatographic/spectrometric data matrices for automated sample identification and component analysis by non-data-reducing image analysis. , 1999, Analytical chemistry.
[35] M. Maeder. Evolving factor analysis for the resolution of overlapping chromatographic peaks , 1987 .
[36] Wen Wu,et al. Peak Alignment of Urine NMR Spectra Using Fuzzy Warping , 2006, J. Chem. Inf. Model..
[37] I. Schuppe-Koistinen,et al. Metabolic fingerprinting of rat urine by LC/MS Part 2. Data pretreatment methods for handling of complex data. , 2005, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[38] Beata Walczak,et al. Baseline reduction in two dimensional gel electrophoresis images , 2005 .
[39] Yizeng Liang,et al. Heuristic evolving latent projections: resolving two-way multicomponent data. 1. Selectivity, latent-projective graph, datascope, local rank, and unique resolution , 1992 .
[40] R. Andersson,et al. Simplex focusing of retention times and latent variable projections of chromatographic profiles , 1994 .
[41] C. Fraga,et al. Chemometric approach for the resolution and quantification of unresolved peaks in gas chromatography--selected-ion mass spectrometry data. , 2003, Journal of chromatography. A.
[42] D L Massart,et al. Automatic program for peak detection and deconvolution of multi-overlapped chromatographic signals part I: peak detection. , 2005, Journal of chromatography. A.
[43] T. Shaler,et al. Quantification of proteins and metabolites by mass spectrometry without isotopic labeling or spiked standards. , 2003, Analytical chemistry.
[44] J. Carstensen,et al. Aligning of single and multiple wavelength chromatographic profiles for chemometric data analysis using correlation optimised warping , 1998 .
[45] Kevin J Johnson,et al. Classification of gasoline data obtained by gas chromatography using a piecewise alignment algorithm combined with feature selection and principal component analysis. , 2005, Journal of chromatography. A.
[46] G. Kateman,et al. Multicomponent self-modelling curve resolution in high-performance liquid chromatography by iterative target transformation analysis , 1985 .
[47] K. Kaczmarek,et al. Feature Based Fuzzy Matching of 2D Gel Electrophoresis Images , 2002, J. Chem. Inf. Comput. Sci..
[48] Anna de Juan,et al. Characterization of reversed-phase liquid chromatographic stationary phases using solvatochromism and multivariate curve resolution , 1999 .
[49] J. Listgarten,et al. Statistical and Computational Methods for Comparative Proteomic Profiling Using Liquid Chromatography-Tandem Mass Spectrometry , 2005, Molecular & Cellular Proteomics.
[50] Peter Filzmoser,et al. Partial robust M-regression , 2005 .
[51] I. Schuppe-Koistinen,et al. Peak alignment of NMR signals by means of a genetic algorithm , 2003 .
[52] P. A. Taylor,et al. Synchronization of batch trajectories using dynamic time warping , 1998 .
[53] C. Fraga,et al. The chemometric resolution and quantification of overlapped peaks form comprehensive two-dimensional liquid chromatography. , 2005, Journal of chromatography. A.
[54] A. Pyka,et al. Use of RP-TLC to Determine the log P Values of Isomers of Organic Compounds , 2005 .
[55] Mehdi Jalali-Heravi,et al. Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques. , 2006, Journal of chromatography. A.
[56] D L Massart,et al. Chemometrics in pharmaceutical analysis. , 1988, Journal of pharmaceutical and biomedical analysis.
[57] Romà Tauler,et al. Solving liquid chromatography mass spectrometry coelution problems in the analysis of environmental samples by multivariate curve resolution. , 2005, Journal of chromatography. A.
[58] Armando C. Duarte,et al. Application of Chemometrics in Separation Science , 2006 .
[59] K. Bober,et al. ON THE IMPORTANCE OF TOPOLOGICAL INDICES IN RESEARCH OF α- AND γ-TERPINENE AS WELL AS α- AND β-PINENE SEPARATED BY TLC , 2002 .
[60] J. R. Torres-Lapasió,et al. Automatic program for peak detection and deconvolution of multi-overlapped chromatographic signals part II: peak model and deconvolution algorithms. , 2005, Journal of chromatography. A.
[61] Antonije Onjia,et al. Optimization of artificial neural network for retention modeling in high-performance liquid chromatography. , 2004, Talanta.
[62] A. Pyka,et al. TOPOLOGICAL INDEXES FOR EVALUATION OF THE SEPARATION OF D AND L AMINO ACIDS BY TLC , 1999 .
[63] Desire L. Massart,et al. Application of the needle algorithm for exploratory analysis and resolution of HPLC-DAD data , 1996 .
[64] K. Brudzewski,et al. Gasoline quality prediction using gas chromatography and FTIR spectroscopy: An artificial intelligence approach , 2006 .
[65] Desire L. Massart,et al. Multivariate peak purity approaches , 1996 .
[66] R. Céspedes,et al. Organic Pollutants in Surface Waters from Portugal Using Chemometric Interpretation , 2001, Environmental technology.
[67] Olav M. Kvalheim,et al. Retention time shift adjustments of two-way chromatograms using Bessel's inequality , 1995 .
[68] R. Tauler,et al. Multivariate curve resolution applied to liquid chromatography—diode array detection , 1993 .
[69] Johan Trygg,et al. High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses. , 2005, Analytical chemistry.
[70] Beata Walczak,et al. Wavelets in Chemistry , 2001 .