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- Fernandez, M; Arino, C; Diaz-Cruz, JM; Tauler, R; Esteban, M

Soft modelling approach applied to voltammetric data: study of electrochemically labile metal-glycine complexes*JOURNAL OF ELECTROANALYTICAL CHEMISTRY*

- Erk, M; Raspor, B

Anodic stripping voltammetry in the complexation study of the peptide Lys-Cys-Thr-Cys-Cys-Ala [56-61] MT I and cadmium: application in determination of the complexing capacity and stability constant*JOURNAL OF ELECTROANALYTICAL CHEMISTRY*

- Ozaki, Y; Sasic, S; Jiang, HH

How can we unravel complicated near infrared spectra? Recent progress in spectral analysis methods for resolution enhancement and band assignments inthe near infrared region*JOURNAL OF NEAR INFRARED SPECTROSCOPY*

- Liang, YZ; Kvalheim, OM

Resolution of two-way data: theoretical background and practical problem-solving - Part 1: Theoretical background and methodology*FRESENIUS JOURNAL OF ANALYTICAL CHEMISTRY*

- Fanun, M; Wachtel, E; Antalek, B; Aserin, A; Garti, N

A study of the microstructure of four-component sucrose ester microemulsions by SAXS and NMR*COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS*

- Alam, TM; Alam, MK

Chemometric analysis of nuclear magnetic resonance spectroscopy data*SPECTROSCOPY*

- Tauler, R

Calculation of maximum and minimum band boundaries of feasible solutions for species profiles obtained by multivariate curve resolution*JOURNAL OF CHEMOMETRICS*

- Jandanklang, P; Maeder, M; Whitson, AC

Target transform fitting: a new method for the non-linear fitting of multivariate data with separable parameters*JOURNAL OF CHEMOMETRICS*

- Whitson, AC; Maeder, M

Exhaustive evolving factor analysis (E-EFA)*JOURNAL OF CHEMOMETRICS*

- Wise, BM; Gallagher, NB; Martin, EB

Application of PARAFAC2 to fault detection and diagnosis in semiconductor etch*JOURNAL OF CHEMOMETRICS*

- Smilde, AK; Hoefsloot, HCJ; Kiers, HAL; Bijlsma, S; Boelens, HFM

Sufficient conditions for unique solutions within a certain class of curveresolution models*JOURNAL OF CHEMOMETRICS*

- Artyushkova, K; Fulghum, JE

Identification of chemical components in XPS spectra and images using multivariate statistical analysis methods*JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA*

- Sentellas, S; Saurina, J; Hernandez-Cassou, S; Galceran, MT; Puignou, L

Determination of ebrotidine metabolites in overlapping peaks from capillary zone electrophoresis using chemometric methods*ELECTROPHORESIS*

- Bezemer, E; Rutan, SC

Multivariate curve resolution with non-linear fitting of kinetic profiles*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Cueva, JMD; Rossi, AV; Poppi, RJ

Modeling kinetic spectrophotometric data of aminophenol isomers by PARAFAC2*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Satofuka, H; Fukui, T; Takagi, M; Atomi, H; Imanaka, T

Metal-binding properties of phytochelatin-related peptides*JOURNAL OF INORGANIC BIOCHEMISTRY*

- Vives, M; Gargallo, R; Tauler, R; Moreno, V

Study of the interaction of cis-dichloro-(1,2 diethyl-3-aminopyrrolidine)Pt(II) complex with poly(I), poly(C) and poly(I)center dot poly(C)*JOURNAL OF INORGANIC BIOCHEMISTRY*

- Kudrev, AG

"Soft" modeling of the hydrolysis of a copper monophenanthroline complex based on spectrophotometric data*RUSSIAN JOURNAL OF INORGANIC CHEMISTRY*

- Vives, M; Gargallo, R; Tauler, R

Three-way multivariate curve resolution applied to speciation of acid-baseand thermal unfolding transitions of an alternating polynucleotide*BIOPOLYMERS*

- Sasic, S; Amari, T; Siesler, HW; Ozaki, Y

Polycondensation reaction of bis(hydroxyethylterephthalate) - Self modeling curve resolution analysis of on-line ATR/FT-IR spectra*APPLIED SPECTROSCOPY*

- Reis, MM; Biloti, DN; Ferreira, MMC; Pessine, FBT; Teixeira, GM

PARAFAC for spectral curve resolution: A case study using total luminescence in human dental tartar*APPLIED SPECTROSCOPY*

- Schoonover, JR; Zhang, SLL; Bridgewater, JS; Havrilla, GJ; Fletcher, MA; Lightfoot, JM

Polymer degradation study by factor analysis of GPC-FT-IR data*APPLIED SPECTROSCOPY*

- Kleinmeyer, JA; Rose, PE; Harris, JM

Determination of ultratrace-level fluorescent tracer concentrations in environmental samples using a combination of HPLC separation and laser-excitedfluorescence multiwavelength emission detection: Application to testing ofgeothermal well brines*APPLIED SPECTROSCOPY*

J.A. Kleinmeyer*et al.*, "Determination of ultratrace-level fluorescent tracer concentrations in environmental samples using a combination of HPLC separation and laser-excitedfluorescence multiwavelength emission detection: Application to testing ofgeothermal well brines",*APPL SPECTR*, 55(6), 2001, pp. 690-700 - Al-Soufi, W; Novo, M; Mosquera, M

Principal component global analysis of fluorescence and absorption spectraof 2-(2 '-hydroxyphenyl)benzimidazole*APPLIED SPECTROSCOPY*

- Hinsmann, P; Haberkorn, M; Frank, J; Svasek, P; Harasek, M; Lendl, B

Time-resolved FT-IR spectroscopy of chemical reactions in solution by fastdiffusion-based mixing in a micromachined flow cell*APPLIED SPECTROSCOPY*

- Davies, MA; Hogan, MP

Body-site variation of skin autofluorescence*APPLIED SPECTROSCOPY*

- Nigam, S; Rutan, S

Principles and applications of solvatochromism*APPLIED SPECTROSCOPY*

- Bijlsma, S; Boelens, HFM; Smilde, AR

Determination of rate constants in second-order kinetics using UV-visible spectroscopy*APPLIED SPECTROSCOPY*

- Wentzell, PD; Nair, SS; Guy, RD

Three-way analysis of fluorescence spectra of polycyclic aromatic hydrocarbons with quenching by nitromethane*ANALYTICAL CHEMISTRY*

- Nordon, A; Gemperline, PJ; McGill, CA; Littlejohn, D

Quantitative analysis of low-field NMR signals in the time domain*ANALYTICAL CHEMISTRY*

- Vives, M; Gargallo, R; Tauler, R

Analytical characterization of the conformational transitions of polynucleotides by means of different molecular spectroscopies and multivariate curve resolution*ANALYTICAL BIOCHEMISTRY*

- Frenich, AG; Zamora, DP; Vidal, JLM; Galera, MM

Resolution (and quantitation) of mixtures with overlapped spectra by orthogonal projection approach and alternating least squares*ANALYTICA CHIMICA ACTA*

- Batonneau, Y; Laureyns, J; Merlin, JC; Bremard, C

Self-modeling mixture analysis of Raman microspectrometric investigations of dust emitted by lead and zinc smelters*ANALYTICA CHIMICA ACTA*

- Navea, S; de Juan, A; Tauler, R

Three-way data analysis applied to multispectroscopic monitoring of protein folding*ANALYTICA CHIMICA ACTA*

- Shen, HL; Grung, B; Kvalheim, OM; Eide, I

Automated curve resolution applied to data from multi-detection instruments*ANALYTICA CHIMICA ACTA*

- Statheropoulos, M; Mikedi, K

PCA-ContVarDia: an improvement of the PCA-VarDia technique for curve resolution in GC-MS and TG-MS analysis*ANALYTICA CHIMICA ACTA*

- Vives, M; Tauler, R; Moreno, V; Gargallo, R

Study of the interaction of a cis-dichloroaminopyrrolidine Pt(II) complex and the polynucleotide poly(I)-poly(C) acid by means of H-1-NMR and multivariate curve resolution*ANALYTICA CHIMICA ACTA*

- Zampronio, CG; Moraes, LAB; Eberlin, MN; Poppi, RJ

Multivariate curve resolution applied to MS/MS data obtained from isomericmixtures*ANALYTICA CHIMICA ACTA*

- de Juan, A; Maeder, M; Martinez, M; Tauler, R

Application of a novel resolution approach combining soft- and hard-modelling features to investigate temperature-dependent kinetic processes*ANALYTICA CHIMICA ACTA*

- Saurina, J; Hernandez-Cassou, S

Quantitative determinations in conventional flow injection analysis based on different chemometric calibration statregies: a review*ANALYTICA CHIMICA ACTA*

- Saurina, J; Leal, C; Compano, R; Granados, M; Prat, MD; Tauler, R

Estimation of figures of merit using univariate statistics for quantitative second-order multivariate curve resolution*ANALYTICA CHIMICA ACTA*

- Sentellas, S; Saurina, J; Hernandez-Cassou, S; Galceran, MT; Puignou, L

Resolution and quantification in poorly separated peaks from capillary zone electrophoresis using three-way data analysis methods*ANALYTICA CHIMICA ACTA*

- Yang, WR; Gooding, JJ; Hibbert, DB

Redox voltammetry of sub-parts per billion levels of Cu2+ at polyaspartate-modified gold electrodes*ANALYST*

- Bylund, D; Danielsson, R; Markides, KE

Peak purity assessment in liquid chromatography-mass spectrometry*JOURNAL OF CHROMATOGRAPHY A*

- Kaihara, M; Sato, Y

Extraction of diffuse reflection spectrum on reflectance spectroscopy for solid or powder surfaces*SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY*

- Kim, BM; Henry, RC

Application of SAFER model to the Los Angeles PM10 data*ATMOSPHERIC ENVIRONMENT*

- Kudrev, AG

Calculations of the intrinsic constant of an ideal polymer from spectrophotometry data using factor analysis*JOURNAL OF ANALYTICAL CHEMISTRY*

- Kudrev, AG

Calculation of the association constants of polynucleotides in solutions*POLYMER SCIENCE SERIES A*

- Miller, CE

Chemometrics for on-line spectroscopy applications - theory and practice*JOURNAL OF CHEMOMETRICS*

- Bijlsma, S; Smilde, AK

Estimating reaction rate constants from a two-step reaction: a comparison between two-way and three-way methods*JOURNAL OF CHEMOMETRICS*

- Dyson, RM; Hazenkamp, M; Kaufmann, K; Maeder, M; Studer, M; Zilian, A

Modern tools for reaction monitoring: hard and soft modelling of 'non-ideal', on-line acquired spectra*JOURNAL OF CHEMOMETRICS*

- Windig, W; Antalek, B; Robbins, MJ; Zumbulyadis, N; Heckler, CE

Applications of the direct exponential curve resolution algorithm (DECRA) to solid state nuclear magnetic resonance and mid-infrared spectra*JOURNAL OF CHEMOMETRICS*

- Latorre, RM; Saurina, J; Hernandez-Cassou, S

Resolution of overlapped peaks of amino acid derivatives in capillary electrophoresis using multivariate curve resolution based on alternating least squares*ELECTROPHORESIS*

- de Juan, A; Maeder, M; Martinez, M; Tauler, R

Combining hard- and soft-modelling to solve kinetic problems*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Kim, BM; Henry, RC

Extension of self-modeling curve resolution to mixtures of more than threecomponents - Part 3. Atmospheric aerosol data simulation studies*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- De Braekeleer, K; Torres-Lapasio, JR; Massart, DL

Improved purity assessment of high-performance liquid chromatography diodearray detection data for overcoming the presence of the non-linearity artefact*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Saurina, J; Hernandez-Cassou, S; Izquierdo-Ridorsa, A; Tauler, R

pH-Gradient spectrophotometric data files from flow-injection and continuous flow systems for two- and three-way data analysis*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Grande, BV; Manne, R

Use of convexity for finding pure variables in two-way data from mixtures*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Rodriguez, AR; Esteban, M

Application of electroanalytical methods to the characterization of metallothioneins and related molecules*CELLULAR AND MOLECULAR BIOLOGY*

- Sabry, SM; Khamis, EF

Application of H-point standard additions method to spectrophotometric andspectrofluorimetric determinations of glafenine and glafenic acid in mixtures*TALANTA*

- Tauler, R; Barcelo, D; Thurman, EM

Multivariate correlation between concentrations of selected herbicides andderivatives in outflows from selected US midwestern reservoirs*ENVIRONMENTAL SCIENCE & TECHNOLOGY*

- Nodland, E

Studies of self-association in alcohols (ROH) as functions of concentrations and temperature. Part II: Curve resolution of concentration series*APPLIED SPECTROSCOPY*

- Bu, DS; Brown, CW

Self-modeling mixture analysis by interactive principal component analysis*APPLIED SPECTROSCOPY*

- De Braekeleer, K; de Juan, A; Sanchez, FC; Hailey, PA; Sharp, DCA; Dunn, P; Massart, DL

Determination of the end point of a chemical synthesis process using on-line measured mid-infrared spectra*APPLIED SPECTROSCOPY*

- Cai, WS; Yu, F; Shao, XG; Pan, ZX

Resolution of overlapping chromatographic peaks using a genetic algorithm*ANALYTICAL LETTERS*

- Plegge, V; Slama, M; Suselbeck, B; Wienke, D; Spener, F; Knoll, M; Zaborosch, C

Analysis of ternary mixtures with a single dynamic microbial sensor and chemometrics using a nonlinear multivariate calibration*ANALYTICAL CHEMISTRY*

- Lavine, BK

Chemometrics*ANALYTICAL CHEMISTRY*

- Diaz-Cruz, MS; Diaz-Cruz, JM; Mendieta, J; Tauler, R; Esteban, M

Soft- and hard-modeling approaches for the determination of stability constants of metal-peptide systems by voltammetry*ANALYTICAL BIOCHEMISTRY*

- Cruz, BH; Diaz-Cruz, JM; Arino, C; Tauler, R; Esteban, M

Multivariate curve resolution of polarographic data applied to the study of the copper-binding ability of tannic acid*ANALYTICA CHIMICA ACTA*

- Vives, M; Gargallo, R; Tauler, R

Multivariate extension of the continuous variation and mole-ratio methods for the study of the interaction of intercalators with polynucleotides*ANALYTICA CHIMICA ACTA*

- Bijlsma, S; Boelens, HFM; Hoefsloot, HCJ; Smilde, AK

Estimating reaction rate constants: comparison between traditional curve fitting and curve resolution*ANALYTICA CHIMICA ACTA*

- Frenich, AG; Galera, MM; Vidal, JLM; Massart, DL; Torres-Lapasio, JR; De Braekeleer, K; Wang, JH; Hopke, PK

Resolution of multicomponent peaks by orthogonal projection approach, positive matrix factorization and alternating least squares*ANALYTICA CHIMICA ACTA*

- Saurina, J; Leal, C; Compano, R; Granados, M; Tauler, R; Prat, MD

Determination of triphenyltin in sea-water by excitation-emission matrix fluorescence and multivariate curve resolution*ANALYTICA CHIMICA ACTA*

- Saurina, J; Hernandez-Cassou, S; Tauler, R; Izquierdo-Ridorsa, A

Spectrophotometric determination of pK(a) values based on a pH gradient flow-injection system*ANALYTICA CHIMICA ACTA*

- Latorre, RM; Saurina, J; Hernandez-Cassou, S

Determination of amino acids in overlapped capillary electrophoresis peaksby means of partial least-squares regression*JOURNAL OF CHROMATOGRAPHY A*

- Kudrev, AG

Factor analysis in the determination of concentrational stability constants and stoichiometric ratios for systems with weak complexation*RUSSIAN JOURNAL OF COORDINATION CHEMISTRY*

- Gargallo, R; Sotriffer, CA; Liedl, KR; Rode, BM

Application of multivariate data analysis methods to Comparative MolecularField Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids components*JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN*

- Bro, R; Andersson, CA; Kiers, HAL

PARAFAC2 - Part II. Modeling chromatographic data with retention time shifts*JOURNAL OF CHEMOMETRICS*

- Bijlsma, S; Louwerse, DJ; Smilde, AK

Estimating rate constants and pure UV-vis spectra of a two-step reaction using trilinear models*JOURNAL OF CHEMOMETRICS*

- Johnson, K; De Juan, A; Rutan, SC

Three-way data analysis of pollutant degradation profiles monitored using liquid chromatography-diode array detection*JOURNAL OF CHEMOMETRICS*

- Elliott, MA; Walter, GA; Swift, A; Vandenborne, K; Schotland, JC; Leigh, JS

Spectral quantitation by principal component analysis using complex singular value decomposition*MAGNETIC RESONANCE IN MEDICINE*

- Simmons, GW; Angst, DL; Klier, K

A self-modeling approach to the resolution of XPS spectra into surface andbulk components*JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA*

- Gargallo, R; Tauler, R; Izquierdo-Ridorsa, A

Study of the protonation equilibria of a transfer ribonucleic acid by means of a multivariate curve resolution method*QUIMICA ANALITICA*

- Kim, BM; Henry, RC

Extension of self-modeling curve resolution to mixtures of more than threecomponents Part 2. Finding the complete solution*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Stork, CL; Kowalski, BR

Distinguishing between process upsets and sensor malfunctions using sensorredundancy*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Molloy, KJ; Maeder, M; Schumacher, MM

Hard modelling of spectroscopic measurements. Applications in non-ideal industrial reaction systems*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Tauler, R; Gargallo, R; Vives, M; Izquierdo-Ridorsa, A

Resolution of temperature dependent conformational multiequilibria processes*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Quinn, AC; Gemperline, PJ; Baker, B; Zhu, M; Walker, DS

Fiber-optic UV/visible composition monitoring for process control of batchreactions*CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS*

- Johnson, CS

Diffusion ordered nuclear magnetic resonance spectroscopy: principles and applications*PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY*

- Hansen, PW; Van Brakel, AS; Garman, J; Norgaard, L

Detection of specific sugars in dairy process samples using multivariate curve resolution*JOURNAL OF DAIRY SCIENCE*

- Latorre, RM; Saurina, J; Hernandez-Cassou, S

Capillary electrophoresis method for the determination of amino acids in pharmaceutical samples based on precolumn derivatization using 1,2-naphthoquinone-4-sulfonate*JOURNAL OF CHROMATOGRAPHIC SCIENCE*

- Gemperline, PJ; Zhu, M; Cash, E; Walker, DS

Chemometric characterization of batch reactions*ISA TRANSACTIONS*

- Keesey, RL; Ryan, MD

Use of evolutionary factor analysis in the spectroelectrochemistry of Escherichia coli sulfite reductase hemoprotein and a Mo/Fe/S cluster*ANALYTICAL CHEMISTRY*

- Bessant, C; Saini, S

Simultaneous determination of ethanol, fructose, and glucose at an unmodified platinum electrode using artificial neural networks*ANALYTICAL CHEMISTRY*

- Saurina, J; Hernandez-Cassou, S; Tauler, R; Izquierdo-Ridorsa, A

Continuous-flow and flow injection pH gradients for spectrophotometric determinations of mixtures of nucleic acid components*ANALYTICAL CHEMISTRY*

- Saurina, J; Hernandez-Cassou, S; Tauler, R; Izquierdo-Ridorsa, A

Procedure for the quantitative determination of mixtures of nucleic acid components based on multivariate spectrophotometric acid-base titrations*ANALYTICAL CHEMISTRY*

- Smilde, AK; Tauler, R; Saurina, J; Bro, R

Calibration methods for complex second-order data*ANALYTICA CHIMICA ACTA*

- Bijlsma, S; Smilde, AK

Application of curve resolution based methods to kinetic data*ANALYTICA CHIMICA ACTA*

- Grande, BV; Kvalheim, OM

Quality of resolution of black multicomponent systems*ANALYTICA CHIMICA ACTA*

- Lohnes, MT; Guy, RD; Wentzell, PD

Window target-testing factor analysis: theory and application to the chromatographic analysis of complex mixtures with multiwavelength fluorescence detection*ANALYTICA CHIMICA ACTA*

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Documento generato il 27/05/20 alle ore 10:28:21