Innovative strategies for the dereplication of biomass samples by LC/HRMS and RMN combined approaches

The transformation of lignocellulosic biomass must be considered to meet the challenges of the energy field. Detailed knowledge of the products generated is essential to develop efficient and innovative processes. Analytical approaches coupling liquid chromatography and high resolution mass spectrometry (LC/HRMS) offer great potential, limited by the massive amount of data obtained. This PhD project aims to identify descriptors of biomass reactivity using an analytical methodology and bioinformatics tools allowing to exploit the data in-depth and automatically. For this, an original dereplication workflow combining LC/HRMS and 13C NMR, associated with the use of databases and the plots of molecular networks is proposed. This innovative and efficient methodology will make it possible to access the molecular description of these products and will contribute to the improvement of biomass transformation processes in the field of new energy technologies.
 

Keywords: biomass, mass spectrometry, RMN, bio-informatics, analysis

• Academic supervisor    Pr, RENAULT Jean-Hugues, Institut de Chimie Moléculaire de Reims (ICMR), UMR CNRS 7312, Université de Reims Champagne-Ardenne    
• Doctoral School    581 - Ecole Doctorale Agriculture, Alimentation, Biologie, Environnement et Santé (ABIES), http://www2.agroparistech.fr/abies/    
• IFPEN supervisor   Dr, LE MASLE Agnès, Ingénieur de Recherche, Direction Physique et Analyse, Pole Analyse Moléculaire, agnes.le-masle@ifpen.fr
• ICMR supervisor    Dr, REMY Simon, Assistant Professor, ICMR  
• PhD location    IFPEN Lyon, France et ICMR Reims, France    
• Duration and start date    3 years, starting in fourth quarter 2021    
• Employer    IFPEN Lyon, France    
• Academic requirements    University Master degree in analytical chemistry    
• Language requirements    Fluency in English    
• Other requirements    Bio-informatics, strong interest in data treatment