Search Results - "Tauler, Romà"

Multivariate Curve Resolution: 50 years addressing the mixture analysis problem – A review by de Juan, Anna, Tauler, Romà

“…Multivariate Curve Resolution (MCR) covers a wide span of algorithms designed to tackle the mixture analysis problem by expressing the original data through a…”
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Multivariate curve resolution of multiway data using the multilinearity constraint by Tauler, Romà

“…The extension of Multivariate Curve Resolution‐Alternating Least Squares (MCR‐ALS) to the analysis of multiway data using the multilinearity constraint is…”
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Comparison of the variable importance in projection (VIP) and of the selectivity ratio (SR) methods for variable selection and interpretation by Farrés, Mireia, Platikanov, Stefan, Tsakovski, Stefan, Tauler, Romà

“…This study compares the application of two variable selection methods in partial least squares regression (PLSR), the variable importance in projection (VIP)…”
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ROIMCR: a powerful analysis strategy for LC-MS metabolomic datasets by Gorrochategui, Eva, Jaumot, Joaquim, Tauler, Romà

“…The analysis of LC-MS metabolomic datasets appears to be a challenging task in a wide range of disciplines since it demands the highly extensive processing of…”
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Vibrational spectroscopic image analysis of biological material using multivariate curve resolution–alternating least squares (MCR-ALS) by Felten, Judith, Hall, Hardy, Jaumot, Joaquim, Tauler, Romà, de Juan, Anna, Gorzsás, András

“…Chemical compositional information can be extracted from Raman and infrared microscopic images by MCR-ALS. The algorithm finds the spectral profiles of…”
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Flexible Implementation of the Trilinearity Constraint in Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) of Chromatographic and Other Type of Data by Zhang, Xin, Tauler, Romà

“…Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) can analyze three-way data under the assumption of a trilinear model using the trilinearity…”
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Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow by Gorrochategui, Eva, Jaumot, Joaquim, Lacorte, Sílvia, Tauler, Romà

“…•Data analysis is the “bottleneck” of metabolomic LC-MS studies.•Huge amounts of data are produced by LC-MS metabolomics.•LC-MS data analysis strategies vary…”
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Flexible Trilinearity Alignment (FTA) and Shift Invariant Transformation (SIT) Constraints in Three‐Way Multivariate Curve Resolution Data Analysis by Zhang, Xin, Tauler, Romà

“…ABSTRACT In this work, two alternative ways of analyzing three‐way data with multivariate curve resolution alternating least squares (MCR‐ALS) using the…”
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Uniqueness and rotation ambiguities in Multivariate Curve Resolution methods by Abdollahi, Hamid, Tauler, Romà

“…The presence of rotation ambiguities and unique solutions in Multivariate Curve Resolution (MCR) chemometric methods is discussed in detail. Using recently…”
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An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis by Navarro-Reig, Meritxell, Jaumot, Joaquim, Tauler, Romà

“…•An LC × LC–MS/MS-based approach is proposed to untargeted lipidomics analysis.•ROIMCR strategy retrieved all relevant information from LC × LC–MS complex…”
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Chemometrics and intelligent laboratory systems Analytica Chimica Acta by Marini, Federico, Tauler, Romà, Ruckebusch, Cyril, Buydens, Lutgarde

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Application of Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) to remote sensing hyperspectral imaging by Zhang, Xin, Tauler, Romà

“…This article summarizes the use of the MCR-ALS method as a powerful tool for the resolution of hyperspectral images on their constituents. Non-negativity,…”
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Organic micropollutants in coastal waters from NW Mediterranean Sea: Sources distribution and potential risk by Sánchez-Avila, Juan, Tauler, Romà, Lacorte, Silvia

“…This study provides a first estimation on the sources, distribution and risk of organic micropollutants (OMPs) in coastal waters from NW Mediterranean Sea…”
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Untargeted Comprehensive Two-Dimensional Liquid Chromatography Coupled with High-Resolution Mass Spectrometry Analysis of Rice Metabolome Using Multivariate Curve Resolution by Navarro-Reig, Meritxell, Jaumot, Joaquim, Baglai, Anna, Vivó-Truyols, Gabriel, Schoenmakers, Peter J, Tauler, Romà

“…In this work, a new strategy for the chemometric analysis of two-dimensional liquid chromatography–high-resolution mass spectrometry (LC × LC–HRMS) data is…”
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Application of chemometric methods to the analysis of multimodal chemical images of biological tissues by Bedia, Carmen, Sierra, Àngels, Tauler, Romà

“…Current histology techniques, such as tissue staining or histochemistry protocols, provide very limited chemical information about the tissues. Chemical…”
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Evaluation of changes induced in rice metabolome by Cd and Cu exposure using LC-MS with XCMS and MCR-ALS data analysis strategies by Navarro-Reig, Meritxell, Jaumot, Joaquim, García-Reiriz, Alejandro, Tauler, Romà

“…The comprehensive analysis of untargeted metabolomics data acquired using LC-MS is still a major challenge. Different data analysis tools have been developed…”
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N‐BANDS: A new algorithm for estimating the extension of feasible bands in multivariate curve resolution of multicomponent systems in the presence of noise and rotational ambiguity by Olivieri, Alejandro C., Tauler, Romà

“…A new algorithm named N‐BANDS has been developed for the estimation of the combined effect of noise and rotational ambiguity in the bilinear decomposition of…”
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Exploring the pyrolytic degradation of seventeen phthalate esters using the non-targeted regions of interest-multivariate curve resolution (ROIMCR) chemometric method by Torres-Agullo, Ana, Tauler, Romà, Lacorte, Silvia

“…[Display omitted] •Pyrolysis-GC-Orbitrap-MS as a plastic waste reactor simulator.•PAEs degradation behavior studied at different temperatures.•Non-targeted…”
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Application of the area correlation constraint in the MCR-ALS quantitative analysis of complex mixture samples by Bayat, Mehrnoosh, Marín-García, Marc, Ghasemi, Jahan B., Tauler, Romà

“…The application of the recently developed area correlation constraint in Multivariate CurveResolution–Alternating Least Squares (MCR-ALS) for the quantitative…”
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Regions of Interest Multivariate Curve Resolution Liquid Chromatography with Data-Independent Acquisition Tandem Mass Spectrometry by Pérez-López, Carlos, Oró-Nolla, Bernat, Lacorte, Silvia, Tauler, Romà

“…New data-independent acquisition (DIA) modes coupled to chromatographic separations are opening new perspectives in the processing of massive mass…”
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