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1

Addendum: Vibrational spectroscopic image analysis of biological material using multivariate curve resolution–alternating least squares (MCR-ALS)

Felten, Judith, Hall, Hardy, Jaumot, Joaquim, Tauler, Romà, de Juan, Anna, Gorzsás, András

Journal:

Nature Protocols

Année:

2019

Langue:

english

Fichier:

PDF, 211 KB

english, 2019

2

Noise propagation and error estimations in multivariate curve resolution alternating least squares using resampling methods

Joaquim Jaumot, Raimundo Gargallo, Romà Tauler

Journal:

Journal of Chemometrics

Année:

2004

Langue:

english

Fichier:

PDF, 489 KB

english, 2004

3

pH-Modulated Watson–Crick Duplex–Quadruplex Equilibria of Guanine-Rich and Cytosine-Rich DNA Sequences 140 Base Pairs Upstream of the c-kit Transcription Initiation Site

Pavel Bucek, Joaquim Jaumot, Anna Aviñó, Ramon Eritja, Raimundo Gargallo

Journal:

Chemistry - A European Journal

Année:

2009

Langue:

english

Fichier:

PDF, 511 KB

english, 2009

4

Multivariate Curve Resolution (MCR). Solving the mixture analysis problem

de Juan, Anna, Jaumot, Joaquim, Tauler, Romà

Journal:

Analytical Methods

Année:

2014

Langue:

english

Fichier:

PDF, 1.98 MB

english, 2014

5

Vibrational spectroscopic image analysis of biological material using multivariate curve resolution–alternating least squares (MCR-ALS)

Felten, Judith, Hall, Hardy, Jaumot, Joaquim, Tauler, Romà, de Juan, Anna, Gorzsás, András

Journal:

Nature Protocols

Année:

2015

Langue:

english

Fichier:

PDF, 1.86 MB

english, 2015

6

Chemometrics Strategies for Peak Detection and Profiling from Multidimensional Chromatography

Navarro-Reig, Meritxell, Bedia, Carmen, Tauler, Romà, Jaumot, Joaquim

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 1.46 MB

english, 2018

7

Modelling of Hydrophilic Interaction Liquid Chromatography Stationary Phases Using Chemometric Approaches

Navarro-Reig, Meritxell, Ortiz-Villanueva, Elena, Tauler, Romà, Jaumot, Joaquim

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 3.48 MB

english, 2017

8

Interaction of Environmental Pollutants with Microplastics: A Critical Review of Sorption Factors, Bioaccumulation and Ecotoxicological Effects

MenÃ©ndez-Pedriza, Albert, Jaumot, Joaquim

Journal:

Année:

2020

Fichier:

PDF, 1.42 MB

2020

9

Non-negativity constraints for elimination of multiple solutions in fitting of multivariate kinetic models to spectroscopic data

Joaquim Jaumot, Paul J. Gemperline, Alexandra Stang

Journal:

Journal of Chemometrics

Année:

2005

Langue:

english

Fichier:

PDF, 202 KB

english, 2005

10

Quality assessment of the results obtained by multivariate curve resolution analysis of multiple runs of gasoline blending processes

Joaquim Jaumot, José C. Menezes, Romà Tauler

Journal:

Journal of Chemometrics

Année:

2006

Langue:

english

Fichier:

PDF, 444 KB

english, 2006

11

Indications towards a stereoselectivity of the salt-induced peptide formation reaction

Kristof Plankensteiner, Alessandro Righi, Bernd M Rode, Raimundo Gargallo, Joaquim Jaumot, Roma Tauler

Journal:

Inorganica Chimica Acta

Année:

2004

Langue:

english

Fichier:

PDF, 436 KB

english, 2004

12

Exploratory data analysis of DNA microarrays by multivariate curve resolution

Joaquim Jaumot, Romà Tauler, Raimundo Gargallo

Journal:

Analytical Biochemistry

Année:

2006

Langue:

english

Fichier:

PDF, 1.08 MB

english, 2006

13

Study of the interaction between the G-quadruplex-forming thrombin-binding aptamer and the porphyrin 5,10,15,20-tetrakis-(N-methyl-4-pyridyl)-21,23H-porphyrin tetratosylate

Miquel del Toro, Raimundo Gargallo, Ramon Eritja, Joaquim Jaumot

Journal:

Analytical Biochemistry

Année:

2008

Langue:

english

Fichier:

PDF, 1019 KB

english, 2008

14

Classification of nucleic acids structures by means of the chemometric analysis of circular dichroism spectra

Joaquim Jaumot, Ramon Eritja, Susana Navea, Raimundo Gargallo

Journal:

Analytica Chimica Acta

Année:

2009

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2009

15

A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB

Joaquim Jaumot, Raimundo Gargallo, Anna de Juan, Romà Tauler

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2005

Langue:

english

Fichier:

PDF, 690 KB

english, 2005

16

Application of multivariate curve resolution to the analysis of yeast genome-wide screens

Joaquim Jaumot, Benjamin Piña, Romà Tauler

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2010

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2010

17

MCR-BANDS: A user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution

Joaquim Jaumot, Romà Tauler

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2010

Langue:

english

Fichier:

PDF, 2.23 MB

english, 2010

18

MCRC software: A tool for chemometric analysis of two-way chromatographic data

Mehdi Jalali-Heravi, Hadi Parastar, Mohsen Kamalzadeh, Roma Tauler, Joaquim Jaumot

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2010

Langue:

english

Fichier:

PDF, 4.08 MB

english, 2010

19

Multivariate resolution of NMR labile signals by means of hard- and soft-modelling methods

Joaquim Jaumot, Montserrat Vives, Raimundo Gargallo, Romà Tauler

Journal:

Analytica Chimica Acta

Année:

2003

Langue:

english

Fichier:

PDF, 273 KB

english, 2003

20

Chemical equilibria studies using multivariate analysis methods

Joaquim Jaumot, Ramon Eritja, Raimundo Gargallo

Journal:

Analytical and Bioanalytical Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 740 KB

english, 2011

21

Application of multivariate resolution methods to the study of biochemical and biophysical processes

Joaquim Jaumot, Montse Vives, Raimundo Gargallo

Journal:

Analytical Biochemistry

Année:

2004

Langue:

english

Fichier:

PDF, 718 KB

english, 2004

22

Combination of chromatographic and chemometric methods to study the interactions between DNA strands

Sara Ruiz-Castelar, Antonio Checa, Raimundo Gargallo, Joaquim Jaumot

Journal:

Analytica Chimica Acta

Année:

2012

Langue:

english

Fichier:

PDF, 1.38 MB

english, 2012

23

Targeting the G-quadruplex-forming region near the P1 promoter in the human BCL-2 gene with the cationic porphyrin TMPyP4 and with the complementary C-rich strand

Miquel del Toro, Pavel Bucek, Anna Aviñó, Joaquim Jaumot, Carlos González, Ramon Eritja, Raimundo Gargallo

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 601 KB

english, 2009

24

Using principal component analysis to find correlations between loop-related and thermodynamic variables for G-quadruplex-forming sequences

Joaquim Jaumot, Raimundo Gargallo

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 466 KB

english, 2010

25

Influence of pH, temperature and the cationic porphyrin TMPyP4 on the stability of the i-motif formed by the 5′-(C3TA2)4-3′ sequence of the human telomere

Sergio Fernández, Ramon Eritja, Anna Aviñó, Joaquim Jaumot, Raimundo Gargallo

Journal:

International Journal of Biological Macromolecules

Année:

2011

Langue:

english

Fichier:

PDF, 772 KB

english, 2011

26

Porphyrin binding mechanism is altered by protonation at the loops in G-quadruplex DNA formed near the transcriptional activation site of the human c-kit gene

Sintayehu Manaye, Ramon Eritja, Anna Aviñó, Joaquim Jaumot, Raimundo Gargallo

Journal:

Biochimica et Biophysica Acta (BBA) - General Subjects

Année:

2012

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2012

27

Solution equilibria of cytosine- and guanine-rich sequences near the promoter region of the n-myc gene that contain stable hairpins within lateral loops

Benabou, Sanae, Ferreira, Rubén, Aviñó, Anna, González, Carlos, Lyonnais, Sébastien, Solà, Maria, Eritja, Ramon, Jaumot, Joaquim, Gargallo, Raimundo

Journal:

Biochimica et Biophysica Acta (BBA) - General Subjects

Année:

2014

Langue:

english

Fichier:

PDF, 1.58 MB

english, 2014

28

Modeling strategies for pharmaceutical blend monitoring and end-point determination by near-infrared spectroscopy

Igne, Benoît, Juan, Anna de, Jaumot, Joaquim, Lallemand, Jordane, Preys, Sébastien, Drennen, James K., Anderson, Carl A.

Journal:

International Journal of Pharmaceutics

Année:

2014

Langue:

english

Fichier:

PDF, 1.70 MB

english, 2014

29

Multivariate Curve Resolution Applied to the Analysis and Resolution of Two-Dimensional [ 1 H, 15 N] NMR Reaction Spectra

Jaumot, Joaquim, Marchán, Vicente, Gargallo, Raimundo, Grandas, Anna, Tauler, Romà

Journal:

Analytical Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 315 KB

english, 2004

30

MCR-ALS GUI 2.0: New features and applications

Jaumot, Joaquim, de Juan, Anna, Tauler, Romà

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2015

Langue:

english

Fichier:

PDF, 1.70 MB

english, 2015

31

Potential use of multivariate curve resolution for the analysis of mass spectrometry images

Jaumot, Joaquim, Tauler, Romà

Journal:

The Analyst (Royal Society of Chemistry)

Année:

2015

Langue:

english

Fichier:

PDF, 1.93 MB

english, 2015

32

Phenotypic malignant changes and untargeted lipidomic analysis of long-term exposed prostate cancer cells to endocrine disruptors

Bedia, Carmen, Dalmau, Núria, Jaumot, Joaquim, Tauler, Romà

Journal:

Environmental Research

Année:

2015

Langue:

english

Fichier:

PDF, 4.28 MB

english, 2015

33

Lipidomic data analysis: Tutorial, practical guidelines and applications

Checa, Antonio, Bedia, Carmen, Jaumot, Joaquim

Journal:

Analytica Chimica Acta

Année:

2015

Langue:

english

Fichier:

PDF, 1.93 MB

english, 2015

34

qRT-PCR evaluation of the transcriptional response of zebra mussel to heavy metals

Jaumot, Joaquim, Navarro, Anna, Faria, Melissa, Barata, Carlos, Tauler, Romà, Piña, Benjamín

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 3.77 MB

english, 2015

35

Evaluation of changes induced in rice metabolome by Cd and Cu exposure using LC-MS with XCMS and MCR-ALS data analysis strategies

Navarro-Reig, Meritxell, Jaumot, Joaquim, García-Reiriz, Alejandro, Tauler, Romà

Journal:

Analytical and Bioanalytical Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 1.32 MB

english, 2015

36

Experimental Methods for Studying the Interactions between G-Quadruplex Structures and Ligands

Jaumot, Joaquim, Gargallo, Raimundo

Journal:

Current Pharmaceutical Design

Année:

2012

Langue:

english

Fichier:

PDF, 799 KB

english, 2012

37

Combination of CE-MS and advanced chemometric methods for high-throughput metabolic profiling

Ortiz-Villanueva, Elena, Jaumot, Joaquim, Benavente, Fernando, Piña, Benjamín, Sanz-Nebot, Victoria, Tauler, Romà

Journal:

ELECTROPHORESIS

Année:

2015

Langue:

english

Fichier:

PDF, 674 KB

english, 2015

38

Metabolic profiling for the identification of Huntington biomarkers by on-line solid-phase extraction capillary electrophoresis mass spectrometry combined with advanced data analysis tools

Pont, Laura, Benavente, Fernando, Jaumot, Joaquim, Tauler, Romà, Alberch, Jordi, Ginés, Silvia, Barbosa, José, Sanz-Nebot, Victoria

Journal:

ELECTROPHORESIS

Année:

2016

Langue:

english

Fichier:

PDF, 878 KB

english, 2016

39

Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow

Gorrochategui, Eva, Jaumot, Joaquim, Lacorte, Sílvia, Tauler, Romà

Journal:

TrAC Trends in Analytical Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 3.85 MB

english, 2016

40

Chemometric analysis of comprehensive LC×LC-MS data: resolution of triacylglycerol structural isomers in corn oil

Navarro-Reig, Meritxell, Jaumot, Joaquim, van Beek, Teris A., Vivó-Truyols, Gabriel, Tauler, Romà

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 1.34 MB

english, 2016

41

Compression strategies for the chemometric analysis of mass spectrometry imaging data

Bedia, Carmen, Tauler, Romà, Jaumot, Joaquim

Journal:

Journal of Chemometrics

Année:

2016

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2016

42

Chemometric evaluation of hydrophilic interaction liquid chromatography stationary phases: resolving complex mixtures of metabolites

Ortiz-Villanueva, Elena, Navarro-Reig, Meritxell, Jaumot, Joaquim, Tauler, Romà

Journal:

Analytical Methods

Année:

2017

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2017

43

Metabolomic analysis of the effects of cadmium and copper treatment in Oryza sativa L. using untargeted liquid chromatography coupled to high resolution mass spectrometry and all-ion fragmentation

Navarro-Reig, Meritxell, Jaumot, Joaquim, Pina, Benjamin, Moyano, Encarnacion, Galceran, María T., Tauler, Roma

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 2.48 MB

english, 2017

44

The human mitochondrial transcription factor A is a versatile G-quadruplex binding protein

Lyonnais, Sébastien, Tarrés-Soler, Aleix, Rubio-Cosials, Anna, Cuppari, Anna, Brito, Reicy, Jaumot, Joaquim, Gargallo, Raimundo, Vilaseca, Marta, Silva, Cristina, Granzhan, Anton, Teulade-Fichou, Mari

Journal:

Scientific Reports

Année:

2017

Langue:

english

Fichier:

PDF, 2.23 MB

english, 2017

45

Corrigendum: The human mitochondrial transcription factor A is a versatile G-quadruplex binding protein

Lyonnais, Sébastien, Tarrés-Solé, Aleix, Rubio-Cosials, Anna, Cuppari, Anna, Brito, Reicy, Jaumot, Joaquim, Gargallo, Raimundo, Vilaseca, Marta, Silva, Cristina, Granzhan, Anton, Teulade-Fichou, Marie

Journal:

Scientific Reports

Année:

2017

Langue:

english

Fichier:

PDF, 108 KB

english, 2017

46

Knowledge integration strategies for untargeted metabolomics based on MCR-ALS analysis of CE-MS and LC-MS data

Ortiz-Villanueva, Elena, Benavente, Fernando, Piña, Benjamín, Sanz-Nebot, Victoria, Tauler, Romà, Jaumot, Joaquim

Journal:

Analytica Chimica Acta

Année:

2017

Langue:

english

Fichier:

PDF, 1.97 MB

english, 2017

47

Untargeted Comprehensive Two-Dimensional Liquid Chromatography Coupled with High-Resolution Mass Spectrometry Analysis of Rice Metabolome Using Multivariate Curve Resolution

Navarro-Reig, Meritxell, Jaumot, Joaquim, Baglai, Anna, Vivó-Truyols, Gabriel, Schoenmakers, Peter J., Tauler, Romà

Journal:

Analytical Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 1.05 MB

english, 2017

48

Analysis of multiple mass spectrometry images from different Phaseolus vulgaris samples by multivariate curve resolution

Bedia, Carmen, Tauler, Romà, Jaumot, Joaquim

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2017

49

Metabolic disruption of zebrafish ( Danio rerio ) embryos by bisphenol A. An integrated metabolomic and transcriptomic approach

Ortiz-Villanueva, Elena, Navarro-Martín, Laia, Jaumot, Joaquim, Benavente, Fernando, Sanz-Nebot, Victoria, Piña, Benjamín, Tauler, Romà

Journal:

Environmental Pollution

Année:

2017

Langue:

english

Fichier:

PDF, 2.63 MB

english, 2017

50

A CHEMOMETRIC APPROACH FOR CHARACTERIZATION OF SERUM TRANSTHYRETIN IN FAMILIAL AMYLOIDOTIC POLYNEUROPATHY TYPE I (FAP-I) BY ELECTROSPRAY IONIZATION-ION MOBILITY MASS SPECTROMETRY

Pont, Laura, Sanz-Nebot, Victoria, Vilaseca, Marta, Jaumot, Joaquim, Tauler, Roma, Benavente, Fernando

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 1.02 MB

english, 2017