CHImiometry, Design of Experiments, Expert Systems team

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The team "CHImiometry, Design of Experiments and Expert Systems (CHIPS) works at several scales on the ecology, evolution, dynamics and functioning of island and continental ecosystems, by processing data and designing optimal experimental strategies.

In the environmental context, chemometrics plays a crucial role in the characterisation and management of chemical compounds present in air, water, soil and other environmental matrices to solve problems related to pollution and the management of natural resources.

Key words chemometrics, experimental design, data processing, modelling, analytical chemistry, biotechnologies

Research topics

Design of experiments

Chemometrics

Identifying, characterising and developing natural resources

The Team

Magalie Claeys-Bruno
CHIPS team leader
PR-Professor
Fabien Girard
Leader of the CHIPS team
MCF-Maitre de Conferences
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Jacques Artaud
Jacques Artaud
PR-Professor
Anthony Barreau
Anthony Barreau
DC-Doctoring
Isabelle Bombarda
Isabelle Bombarda
PR-Professor
Carl Charloto
Carl Charloto
DC-Doctoring
Pierre Christen
Pierre Christen
CR-Research charge
Magalie Claeys-Bruno
Magalie Claeys-Bruno
PR-Professor
Nathalie Dupuy
Nathalie Dupuy
PR-Professor
Fabien Girard
Fabien Girard
MCF-Maitre de Conferences
Margot Grimonpont
Margot Grimonpont
PD-Post Doctorant
Raihan Hamrouni
Raihan Hamrouni
PD-Post Doctorant
Blanche Krieguer
Blanche Krieguer
ATER-Temporary Teaching and Research Assistant
Yveline Le Dreau
Yveline Le Dreau
MCF-Maitre de Conferences
Martine Martinez
Martine Martinez
ITA-Engineer Administrative Technician
Elodie Mezzatesta
Elodie Mezzatesta
MCF-Maitre de Conferences
Josiane Molinet
Josiane Molinet
MCF-Maitre de Conferences
Hélène Paris
Hélène Paris
DC-Doctoring
Catherine Rebufa
Catherine Rebufa
MCF-Maitre de Conferences
Sevastianos Roussos
Sevastianos Roussos
DR-Research Director
Michelle Sergent
Michelle Sergent
PR-Professor
Pierre Vanloot
Pierre Vanloot
MCF-Maitre de Conferences

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Design of experiments, an essential tool...

One of the CHIPS team's themes is experimental planning. This term covers all the mathematical tools available to any experimenter to help them select the experiments they need to carry out. In many fields, such as chemistry, physics, biology, genetics, petrochemistry, astronomy, etc., experiments, in the broadest sense of the term - in the experimental sciences or in digital simulation - are the only source of information to answer a given problem.

 In addition, the requirements of industry and laboratories mean that researchers, R&D departments and production units have to carry out a large number of experiments to meet demand, but in the shortest possible time. It is therefore important to select the experiments to be carried out as accurately as possible, in order to obtain reliable information that will guarantee risk-free decision-making. Design of experiments (DOEs) are a valuable aid to experimenters in choosing their experiments, and are an essential tool in developing optimal experimental strategies.

Our research focuses on developing new algorithms and tools to meet the major challenges of our decade, namely the drastic reduction in the number of tests (LOW DATA).

More specifically, three main themes emerge:

  •                Reducing the number of tests (SMALL DATA)with the construction of experimental plans and/or the development of new analysis methods
  •               LBIG DATA management and uniform experimental designs (Space Filling Design) for numerical simulation applications
  •                the Quality-by-Design approach.

 

Publications related to the reduction in the number of trials

  • Dory, L. Cavalli, E. Franquet, Mr Claeys-BrunoB. Misson, T. Tatoni, C. Bertrand

Summer dynamics drive the microbial response to DOC additions in a high-altitude lake, Limnology and Oceanography, 2022, 67(5),1142-1156, I.F. 7.87

 

  • Mouahid, Mr Claeys-Bruno , I.Bombarda, , S. Amat, A. Ciavarella, E. Myotte, J-P. Nisteron, C. Crampon, J-P. Nisteron, E.Badens

Supercritical CO2 extraction of oil from Moroccan unroasted Argan Kernels: Effects of process parameters to produce cosmetic oil, Journal of CO2 Utilization, 2022, 59, 101952, I.F. 8.32

Publications related to large-scale management and Space Filling Design

  • Claeys-BrunoC. Gomes, C. Bruno, M. Sergent

Comparative study of mixture designs for complex phenomena, Chemometrics and Intelligent Laboratory Systems, 2018, 178, 65-72, I.F. 2.70

 

  • Pizzala, Mr Claeys-BrunoV. Monnier, M. Sergent, L. Charles

Design of Experiments for Matrix-Assisted Laser Desorption/Ionization of Amphiphilic Poly(Ethylene Oxide)-b-Polystyrene Block CopolymersFrontiers in chemistry, 2021, 9, 1-11, I.F. 3.99

 Publications related to Quality-by-Design

  • Manzon, Mr Claeys-BrunoS. Declomesnil, C. Carite, M. Sergent

Quality by design: comparison of Design Space construction methods in the case of design of experiments, Chemometrics and Intelligent Laboratory Systems, 2020, 200, 104002, I.F. 2.70

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Chemometrics

Environmental chemometrics aims to extract useful information from complex and often voluminous data. (BIG DATA), such as mass spectra, infrared spectra, chromatograms, etc., but new tools are also being developed to meet the major challenges of our decade, namely the drastic reduction in the number of tests (LOW DATA).

 

The team's objectives focus on information processing using innovative data processing methods. The methods used include :

  1. Multivariate data analysis: principal component analysis (PCA) and discriminant analysis
  2. Statistical modelling: multiple linear regression or non-linear regression methods
  3. Classification and clustering Signal and image processing
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  The CHIPS team's analytical techniques and chemometric tools enable :

  • developing a global vision for the preservation of natural resources mainly plant biomass (aromatic and medicinal plants, essential oils, vegetable oils, honeys, saffron, etc.) and microbial biomass from island and continental ecosystems
  • characterising and forecasting ecosystem dynamics in the face of global changes (climate, demographics) with a view to their sustainable management, in order to highlight a terroir effect
  • identification of metabolomic indicators chemometric data processing (chromatographic and/or spectroscopic) to study the dynamics of ecosystems and the services they provide to society in order to anticipate breaking points
  • the introduction of innovative practices (biorefineries) for productive and resilient ecosystems, with the aim of meeting the major challenges facing society, including food quality and biocontrol. In this context, the degradation of mycotoxins is a major challenge for food self-sufficiency, as is the replacement of chemical pesticides by biopesticides or the study of natural or simulated ageing of natural or formulated products.
  • isolation and characterisation of secondary metabolites to develop natural resources.