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ES21_Research and innovation in Analytical Chemistry_Juan Manuel Madariaga Mota

Juan Manuel Madariaga Mota

94 601 2707

Group description

The research team included in this expression of interest are part of the IBeA Research Group of Excellence. IBeA has the mention of excellence since 2002 and is composed nowadays by 33 members.

The research team included here are working in 2 main research areas, (a) sustainable urban built heritage and (b) terrestrial and space materials. A common activity for both areas of research is the construction of new spectroscopic instruments including the hardware and software parts.

The hardware requires the use of Advance 3D Manufacturing because some the spectroscopic devices require robust external and internal parts to avoid the problem of desalignment of the optical paths, maintain the optimized hardware calibration.

The software requires the handling of an enormous amount of data because these devices use 2D matrix detections. Depending on the surface to be measured and the required spatial resolution, a measurement can have a set of 1000x1000 pixels to map from 10x10 mm until 10x10 meters. Each pixel has a spectrum, thus 106 spectra must be handled per surface measured. With this initial set of data, we can obtain spectroscopic images at selected wavelengths, and these images (could be more than 100) are the layers of a complex cube (intensity, wavelength, concentration) that must be treated by machine learning tools to extract the useful information for process decision making protocols.

We have submitted to the Proof of Concept Call2021 of the Ministry of Science and Innovation (ref. PDC2021-121245-I00), a proposal to construct a Visible-Near Infrared instrument to be used for architects mapping facades of buildings at 120 meters of distance, covering surfaces of 100 m2. We wish to provide several “photographs” of the façade, first the visible image (like that obtained with a reflex camera of photos) and the image of the distribution of sulfates, the image for nitrates, the image for oxalates, the image of green biopatinas , the image of black biopatinas, the image of dust staining, or iron staining, etc. Sulfates, nitrates, biopatinas, staining, etc. are degradation processes on the surfaces of facades that must be diagnosed first to design the most adequate cleaning procedure for a good maintenance practice on those facades, specially thinking in facades of the Built Heritage elements.

This tool does not exist in the market. To have a feasible prototype, 3D printing for the spectroscopic parts of the instrument and development of software protocols based on machine learning treatments of spectroscopic data cubes must be covered. The postdoctoral researcher will be dedicated to both tasks, with the help of the team, to have a prototype that will be tested at the end of the project on-site. That prototype should work for architects as a click and view of the different optical and chemical images, to perform an initial diagnosis on-site and decide next actions for a complete diagnosis of the conservation state of the building.


  • design
  • instrument
  • Visible-NIR spectroscopy
  • 3D printing
  • Machine learning
  • integration
  • 2D Optical images
  • 2D Chemical images
  • Heritage research
  • Space research

Team Description

  • Juan Manuel Madariaga (Principal Investigator)

    ORCID: 0000-0002-1685-6335

  • José Manuel Amigo (Research staff)

    ORCID: 0000-0003-1319-1312

  • Gorka Arana (Research staff)

    ORCID: 0000-0001-7854-855X

  • Kepa Castro (Research staff)

    ORCID: 0000-0002-9931-7889

  • Irantzu Martinez (Research)

    ORCID: 0000-0002-1186-6569

  • Nagore Prieto-Taboada (Research staff)

    ORCID: 0000-0003-4649-2381

  • Ainara Gredilla (Research staff)

    ORCID: 0000-0002-8289-0048

  • Julune Aramendia (Post-Doctoral Researcher)

    ORCID: 0000-0003-3728-8370

  • Cristina García (Post-Doctoral Researcher)

    ORCID: 0000-0002-0329-8012

  • Ilaria Costantini (Post-Doctoral Researcher)

    ORCID: 0000-0002-9830-3207

  • Imanol Torre Fernandez (PHD Students with an active fellowship)

    ORCID: 0000-0002-1891-6485

  • Jennifer Huidobro (PHD Students with an active fellowship)

    ORCID: 0000-0001-8302-8583


  • Ciencia e Instrumentación para el estudio de los procesos (bio)geoquímicos en Marte

    Pl: Juan Manuel Madariaga

    Funding Agency*: Juan Manuel Madariaga

    Ongoing: yes

    Project reference: MINECOG18/A05

  • Development of mortars resis-tant to envionmental pollution and biofouling and of innovative systems for the cleaning and restoration of Built Heritage

    Pl: Gorka Arana

    Funding Agency*: National

    Ongoing: yes

    Project reference: PID2020-113391GB-I00

  • Design and Construction of an X-Y-Z-motorized head to perform Deep-UV Raman measurements at microscopic level in cold environments from -30 to -5 oC

    Pl: Juan Manuel Madariaga

    Funding Agency*: European

    Ongoing: no

    Project reference: H2020-ATTRACT Open Call 18/01

  • Investigación Estratégica en nanociencia para la creación de prototipos

    Pl: Kepa Castro

    Funding Agency*: Regional

    Ongoing: yes

    Project reference: ELKARTEK 18/50

  • Ikerkuntza eta Berrikuntza Analitikoa

    Pl: Juan Manuel Madariaga

    Funding Agency*: Regional

    Ongoing: yes

    Project reference: GIC18/118

* INT - International EU - European NAT - National RE - Regional


  • J. Aramendia, M. Tuite, K. Castro, K.H. Williford, J.M. Madariaga, = A new Semi-quantitative Surface-Enhanced Raman Spectroscopy (SERS) method for detection of maleimide (2,5-Pyrroledione) with potential application to astrobiology, GeoScience Frontiers, 2021

  • J. A. Manrique, G. Lopez-Reyes, A. Cousin, F. Rull, S. Maurice, R. C. Wiens, M. B. Madsen, J. M. Madariaga, O. Gasnault, J. Aramendia, G. Arana, et al., = SuperCam Calibration Targets: Design and Development, Space Science Reviews, 2020

  • C. García-Florentino, M. Maguregui, H. Morillas, G. Arana, J.M. Madariaga, = Development of a cost effective passive sampler to quantify the concentration of particulate matter depositions on building materials over time, Journal of Cleaner Production, 2020

  • C. Garcia-Florentino, M. Maguregui, M. Romera-Fernandez, I. Queralt, E. Margui, J.M. Madariaga, = Usefulness of a Dual Macro- and Micro-Energy-Dispersive X Ray Fluorescence Spectrometer to Develop Quantitative Methodologies for Historic Mortar and Related Materials Characterization, Analytical Chemistry, 2018

  • J. Aramendia, L. Gomez-Nubla, K. Castro, S. Fdz. Ortiz de Vallejuelo, G. Arana, M. Maguregui, V. G. Baonza, J. Medina, F. Rull and J.M. Madariaga, = Overview of the techniques used for the study of non-terrestrial bodies: proposition of novel non-destructive methodology, TRAC – Trends in Analytical Chemistry, 2018

Research Lines


New materials for terrestrial and space Visible-NIR spectroscopic instruments

  • The new advanced Spectroscopic instruments, given not an spectrum but a high set of spectra conforming a 2D image of intensity vs. concentration, require the use of new materials for the optical parts. These materials must be manufactured in such a way that only one element has several subunits that must be integrated in the final setup. This can only be done with the advanced 3D printing using metals and/or reinforced “plastics/composites”.
  • Moreover, if that instrument is manufactured for its integration in a space mission, the hard planetary requirements must be fulfilled. We have learn a lot on this after the construction of the calibration target of SuperCam instrument, onboard Perseverance rover of the Mars2020 mission, currently at work on Mars


Qualitative and Quantitative Analytical Calibrations to interpret spectroscopic information through machine learning strategies

The trend for the new spectroscopic devices is to combine the spectral accuracy of powerful spectrometers adapted to 2D detector arrays to produced hyperspectral images. In this way, millions of spectra are obtained in a measured surface (pixel-wise), instead of 10 or 20 like the current practice is. The treatment of such high amount of information requires the use of complex algorithms with different architectures to cope with the complexity of the spectral and spatial signatures simultaneously. The final result is a representation of the surface where the components of interest are identified and quantified.

This strategy is applied by our team to Raman, X-ray Fluorescence, Visible and Near Infrared spectroscopy. We count with that powerful equipment that, combined, provides a perfect toolbox for the analysis of a tremendous range of samples.

Cross-border Collaboration (if any)

We have had a fruitful research collaboration with Prof. Floreal Daniel (IRAMAT-CRP2A UMR 5060 CNRS-Université Bordeaux Montaigne, 33607, Pessac) that ended last year we Prof. Daniel retired.

Few years ago, we have started another relationship with the team of Prof. Bruno Bousquets (Labex LAPHIA, Centre Lasers Intense et Applications, Univ. Bordeaux) because the two groups have participated in the construction, testing and operations of the SuperCam instrument, onboard Perseverance, the rover of the Mars2020 mission. This relationship continues and will grow.