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Untargeted analysis of TD-NMR signals using a multivariate curve resolution approach: application to the water-imbibition kinetics of Arabidopsis seeds

Abstract : The aim of this study is to investigate the ability of Time-Domain Nuclear Magnetic Resonance (TD-NMR) combined with Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) analysis to detect changes in hydration properties of nineteen genotypes of Arabidopsis seeds during the imbibition process. The Hybrid hard and Soft modelling version of MCR-ALS (HS-MCR) applied to raw TD-NMR data allowed the introduction of kinetic models to elucidate underlying biological mechanisms. The imbibition process of all investigated hydrated Arabidopsis seeds could be described with a kinetic model based on two consecutive first-order reactions related to an initial water absorption around the seed and a posteriori hydration of the internal seed tissues, respectively. Good data fit was achieved (LOF %= 0.98 and r2 %=99.9), indicating that the hypothesis of the selected kinetic model was correct. An interpretation of the mucilage characteristics of the studied Arabidopsis seeds was also provided. The presented methodology offers a novel and general strategy to describe in a comprehensive way the kinetic process of plant tissue hydration in a screening objective. This work also proves the potential of the MCR methods to analyse raw TD-NMR signals as alternative to the controversial and time-consuming pre-processing techniques of this kind of data, known to be an ill-conditioned and ill-posed problem.
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https://hal.inrae.fr/hal-03245219
Contributor : Isabelle Nault <>
Submitted on : Tuesday, June 1, 2021 - 4:13:58 PM
Last modification on : Friday, September 10, 2021 - 4:29:18 PM

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Silvia Mas Garcia, Jean-Michel Roger, Mireille Cambert, Corinne Rondeau-Mouro. Untargeted analysis of TD-NMR signals using a multivariate curve resolution approach: application to the water-imbibition kinetics of Arabidopsis seeds. Talanta, Elsevier, 2021, 233, pp.122525. ⟨10.1016/j.talanta.2021.122525⟩. ⟨hal-03245219⟩

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