Anna de Juan Capdevila

Associate professor

ORCID: 0000-0002-6662-2019

Knowledge area: Química Analítica

I have developed my career at the Universitat de Barcelona (UB), where I am acting as associate professor at the Department of Analytical Chemistry and Chemical Engineering since 2003, where I lead the Chemometrics research group. Our research group has been worldwide recognized for more than 20 years and has played a key role, together with R. Tauler group at IDEA-CSIC, in the theoretical development and scientific dissemination of unmixing methodologies, particularly of the algorithm Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) and applications to very diverse analytical fields, mainly hyperspectral image analysis and process analysis (including biochemical, ultrafast photochemical processes and industrial process modeling).

My total scientific production consists of 124 papers in peer-reviewed journals and 25 book chapters with a considerable impact, reflected in more than 10000 citations, (h-index=49, G-index=13, i-10 index=110, Google scholar). During the last 10 years, the publication record includes 61 papers and 15 book chapters and ~7100 citations. The total scientific production has benefited from the collaboration with more than 20 different national and international research groups through projects, collaborations or visitor exchanges.

In the last decade, I delivered 117 presentations in conferences including 38 plenary and keynote lectures in international conferences and invited seminars in academic institutions around the world, such as ETH Zürich (Switzerland), Dalhousie Univ., Halifax (Canada), Virginia Commonwealth Univ., Richmond (US), Univ. Santa Fe (Argentina), Univ. de Valparaíso (Chile), Université Lille I (France) among others. I served as invited professor in research stages and graduate schools in Dalhousie Univ (Canada), Univ. Lille (France), Univ. Copenhagen (Denmark), Institute Max Planck, Mainz (Germany), among others. During the last 10 years, I participated in 18 research projects, 11 as PI, 2 from the EU as UB PI (ERC Advanced grant no. 30737, CHEMAGEB (chemageb.info), and H2020 SPIRE program, ProPAT (pro-pat.eu) and 2 promoted by the ALBA synchrotron facility.

- info

Contact Information
Department of Chemical Engineering and Analytical Chemistry
Diagonal, 647
934039778
anna.dejuan(a)ub.edu

Academic Training

Química (grado) . Universitat de Barcelona . 1990 . (Diploma / Degree / Activities)

Doctorat Europeu . Universitat de Barcelona . 1997 . (Diploma / Degree / Activities)

Química . Universitat de Barcelona . 1997 . (Ph.D.)

Research interests

Hyperspectral image analysis. Image unmixing. Image fusion

Industrial process monitoring, modeling and control

Development of chemometric methods. Multivariate Curve Resolution. Soft-modeling. Data fusion

Participation in Projects (last 10 years)

Avances en el tratamiento de datos megavariantes y de gran complejidad: análisis de imágenes hiperespectrales y de modelización de procesos bioanalíticos e industriales . 2016 - 2019 . Ref.CTQ2015-66254-C2-2-P . Ministerio de Economia y Competitividad . PI: Ana Maria de Juan Capdevila

Robust and affordable process control technologies for improving standards and optimising industrial operations (PROPAT) (SPIRE program) . 2015 - 2018 . Unió Europea . PI: Ana María de Juan Capdevila

Desenvolupament i transferència de metodología quimiomètrica de resolució multivariant . 2014 - 2017 . Ref.2014SGR1106 . Agència de Gestió d'Ajuts Universitaris i de Recerca (AGAUR) . PI: Ana Maria de Juan Capdevila

Desarrollo y aplicación de herramientas quimiométricas para el análisis de imágenes hiperespectrales y de procesos . 2013 - 2015 . Ref.CTQ2012-38616-C02-02 . Ministerio de Economia y Competitividad . PI: Ana Maria de Juan Capdevila

CHEMometric and High-throughput Omics Analytical Methods for Assessment of Global Change Effects on Environmental and Biological Systems (CHEMAGEB) . 2013 - 2018 . Ref.320737 . Unió Europea . PI: Ana Maria de Juan Capdevila

USE OF SR-IR IMAGING FOR PLANT TISSUE SUBSTRUCTURE CHARACTERIZATION AND ASSESSMENT OF THE EFFECT OF HEAVY METAL EXPOSURE IN RICE PLANTS . 2019 - 2019 . Ref.2018092999 . Sincrotró ALBA - CELLS . PI: Ana Maria de Juan Capdevila

Chemometrics: method development and application to analytical multidisciplinary problems (MULTICHEMO) . 2017 - 2021 . Ref.2017SGR753 . Agència de Gestió d'Ajuts Universitaris i de Recerca (AGAUR) . PI: Roman Tauler Ferre

Superando límites en la fusión de datos: hacia la descripción integral de imágenes hiperespectrales y procesos bioanalíticos e industriales . 2020 - 2024 . Ref.PID2019-107158GB-I00 . Ministerio de Ciencia, Innovación y Universidades . PI: Ana Maria de Juan Capdevila

Journal Publications (last 10 years)

Anna de Juan, Romà Tauler (2021). Multivariate Curve Resolution: 50 years addressing the mixture analysis problem - a review. Analytica Chimica Acta, 1145, pp. 59 - 78 . https://doi.org/10.1016/j.aca.2020.10.051 . ISSN: 0003-2670

Adrián Gómez-Sánchez, Mónica Marro, Maria Marsal, Pablo Loza-Alvarez, Anna de Juan. (2020). 3D and 4D image fusion: coping with differences in spectroscopic modes among hyperspectral images. Analytical Chemistry, 92, pp. 9591 - 9602 . https://doi.org/10.1021/acs.analchem.0c00780 . ISSN: 0003-2700

de Oliveira, R.R.; Avila, C.; Bourne, R.; Muller, F.; de Juan, A. (2020). Data fusion strategies to combine sensor and multivariate model outputs for Multivariate Statistical Process Control. Analytical and Bioanalytical Chemistry, 412, pp. 2151 - 2163 . https://doi.org/10.1007/s00216-020-02404-2 . ISSN: 1618-2642

Rocha de Oliveira, R.; de Juan, A. (2020). Design of Heterogeneity Indices for Blending Quality Assessment Based on Hyperspectral Images and Variographic Analysis. Analytical Chemistry, 92(24), pp. 15880 - 15889 . https://doi.org/10.1021/acs.analchem.0c03241 . ISSN: 0003-2700

Benabou, S.; Ruckebusch, C.; Sliwa, M.; Aviñó, A.; Eritja, R.; Gargallo, R.; de Juan, A. (2019). Study of conformational transitions of i-motif DNA using time-resolved fluorescence and multivariate analysis methods. Nucleic Acids Research, 47(13), pp. 6590 - 6605 . Institutional Repository . ISSN: 0305-1048

Sara Piqueras; Carme Bedia; C. Beleites; C. Krafft; Marcel Maeder; Romà Tauler; Anna de Juan (2018). Handling different spatial resolution in image fusion by Multivariate Curve Resolution-Alternating Least Squares for incomplete image multisets. Analytical Chemistry, 90, pp. 6757 - 6765 . https://doi.org/10.1021/acs.analchem.8b00630 . ISSN: 0003-2700

Víctor Olmos; Mònica Marro; Pablo Loza‐Alvarez; Demetrio Raldúa; Eva Prats; Francesc Padrós; Benjamin Piña; Romà Tauler; Anna de Juan (2018). Combining Hyperspectral Imaging and Chemometrics to Assess and Interpret the Effects of Environmental Stressors on the Organism at Tissue Level. Journal of Biophotonics, 11(3), p. e201700089 . Institutional Repository . ISSN: 1864-063X

Flávia de Souza Lins Borba; Tariq Jawhari; Ricardo Saldanha Honorato; Anna de Juan (2017). Confocal Raman imaging and chemometrics applied to solve forensic document examination involving crossed lines and obliteration cases by depth profiling study. Analyst, 142, pp. 1106 - 1118 . https://doi.org/10.1039/C6AN02340A . ISSN: 0003-2654

Víctor Olmos; Laura Benítez; Mónica Marro; Pablo Loza-Alvarez; Benjamí Piña; Romà Tauler; Anna de Juan (2017). Relevant aspects of unmixing/resolution analysis for the interpretation of biological vibrational hyperspectral images. Trac-Trends in Analytical Chemistry, 94, pp. 130 - 140 . https://doi.org/10.1016/j.trac.2017.07.004 . ISSN: 0165-9936

Piqueras, S.; Duponchel, L.; Offroy, M.; Jamme, F.; Tauler, R.; de Juan, A. (2013). Chemometric strategies to unmix information and increase the spatial description of hyperspectral images: a single-cell case study. Analytical Chemistry, 85, pp. 6303 - 6311 . https://doi.org/10.1021/ac4005265 . ISSN: 0003-2700

Other publications (last 10 years)

A. de Juan (2020). Multivariate Curve Resolution for hyperspectral image analysis . In Hyperspectral imaging . Volume. 32 . (pp. 115 - 150) . Elsevier B.V. . ISBN: 9780444639776 .

A. de Juan; R. Tauler (2019). Data fusion by Multivariate Curve Resolution . In Data fusion methodology and applications . (pp. 205 - 223) . Elsevier B.V. .

A. de Juan; A. Gowen; L. Duponchel; C. Ruckebusch (2019). Image fusion . In Data fusion methodology and applications . (pp. 311 - 344) . Elsevier B.V. .

de Juan, A.; Tauler. R. (2016). Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) for spectroscopic data . In Resolving spectral mixtures . (pp. 5 - 52) . Elsevier . ISBN: 9780444636386 .

Tauler, R.; de Juan, A. (2015). Multivariate Curve Resolution for Quantitative Analysis . In Fundamentals and Analytical Applications of Multi-way Calibration . (pp. 241 - 286) . Elsevier .

De Juan, A.; Piqueras, S.; Maeder, M.; Hancewicz, T.; Duponchel, L.; Tauler, R. (2014). Chemometric tools for image analysis . In Infrared and Raman Spectroscopic Imaging (Editors: R. Salzer, H.W. Siesler), 2nd. Edition . (pp. 57 - 110) . Wiley-VCH .

De Juan, A.; Mas, S. (2013). Multivariate curve resolution methods for food chemistry . In Chemometrics in Food Chemistry . Volume. 28 . (pp. 235 - 264) . Elsevier B.V. . ISBN: 978-0-444-59528-7 .

de Juan, A.; Rutan, S.C.; Tauler, R. (2020). Two-way data analysis: Multivariate Curve Resolution: Iterative resolution methods . In Comprehensive Chemometrics (2nd ed.). Brown S, Tauler R, Walczak R (eds.) . Volume. 2 . (pp. 153 - 171) . Elsevier B.V. . ISBN: 9780444641656 .

Tauler, R.; Maeder, M.; de Juan, A. (2020). Multiset data analysis: extended Multivariate Curve Resolution . In Comprehensive Chemometrics (2nd edition) . Volume. 2 . (pp. 305 - 336) . Elsevier B.V. . ISBN: 9780444641656 .

de Juan; Tauler, R. (2020). Linear Soft-Modeling: Introduction . In Comprehensive Chemometrics. (2nd. edition) . Volume. 2 . (pp. 1 - 2) . Elsevier B.V. . ISBN: 9780444641656 .

Teaching Innovation

Elaboració de material docent i d'eines d'avaluació dels aprenentatges del Màster Europeu en Gestió de la Qualitat en els Laboratoris Analítics (EMQAL) . 2009 - 2010 . Ref.2009PID-UB/13 . Universitat de Barcelona . PI: Miguel Esteban Cortada

RIMDA Química. ESTUDI DE CASOS . 2019 - 2019 . Ref.2018PID-UB/Q21 . Universitat de Barcelona . PI: Ana Maria de Juan Capdevila

Anna de Juan (2017). Experience and thoughts on chemometrics teaching. (Presentation of communication) . Topics on Chemometrics (TIC2017) . Newcastle . AUSTRALIA

de Juan, A. (2015). Chemo-metrics: combining chemical information and abstract thinking. (Presentation of communication) . Euroanalysis 2015 . Burdeus . FRANCE

Rigol Parera, Anna; Bringué Tomàs, Roger; de Juan Capdevila, Anna; García Martínez, José Francisco; Núñez Burcio, Oscar; Vidal Espinar, Miquel (2021). Implementación de la metodología de Estudio de Casos en asignaturas de titulaciones de grado y máster de Química. (Presentation of communication) . XI Congrés Internacional de Docència Universitària i Innovació (CIDUI) . Barcelona (on-line) . SPAIN