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Predictive Modeling of Lignin Content for the Screening of Suitable Poplar Genotypes Based on Fourier Transform-Raman Spectrometry.

ABSTRACT: The quick and non-invasive evaluation of lignin from biomass has been the focus of much attention. Several types of spectroscopies, for example, near-infrared (NIR) and Fourier transform-Raman (FT-Raman), have been successfully applied to build quantitative predictive lignin models based on chemometrics. However, due to the effect of sample moisture content and ambient humidity on its signals, NIR spectroscopy requires sophisticated pre-testing preparation. In addition, the current FT-Raman predictive models require large variations in the independent value inputs as restrictions in the corresponding mathematical algorithms prevent the effective biomass screening of suitable genotypes for lignin contents within a narrow range. In order to overcome the limitations associated with the current methods, in this paper, we employed Raman spectra excited using a 1064 nm laser, thus avoiding the impact of water and auto-fluorescence on NIR signals. The optimal baseline correction method, data type, mathematical algorithm, and internal reference were selected in order to build quantitative lignin models based on the data with limited variation. The resulting two predictive models, constructed through lasso and ridge regressions, respectively, proved to be effective in assessing the lignin content of poplar in large-scale breeding and genetic engineering programs.

SUBMITTER: Gao W

PROVIDER: S-EPMC8015071 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:Metabolomics is an interdisciplinary field that aims to study all metabolites < 1500 Da that are ubiquitously found within all organisms. Metabolomics is experiencing exponential growth and commonly relies on high-resolution mass spectrometry (HRMS). Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) is a form of HRMS that is particularly well suited for metabolomics research due to its exceptionally high resolution (105-106) and sensitivity with a mass accuracy in parts per billion (ppb). In this regard, FT-ICR-MS can provide valuable insights into the metabolomics analysis of complex biological systems due to unique capabilities such as the easy separation of isobaric and isomeric species, isotopic fine structure analysis, spatial resolution of metabolites in cells and tissues, and a high confidence (<1 ppm mass error) in metabolite identification. Alternatively, the large and complex data sets, long acquisition times, high cost, and limited access mainly through national mass spectrometry facilities may impede the routine adoption of FT-ICR-MS by metabolomics researchers. This review examines recent applications of FT-ICR-MS metabolomics in the search for clinical and non-human biomarkers; for the analysis of food, beverage, and environmental samples; and for the high-resolution imaging of tissues and other biological samples. We provide recent examples of metabolomics studies that highlight the advantages of FT-ICR-MS for the detailed and reliable characterization of the metabolome. Additionally, we offer some practical considerations for implementing FT-ICR-MS into a research program by providing a list of FT-ICR-MS facilities and by identifying different high-throughput interfaces, varieties of sample types, analysis methods (e.g., van Krevelen diagrams, Kendrick mass defect plot, etc.), and sample preparation and handling protocols used in FT-ICR-MS experiments. Overall, FT-ICR-MS holds great promise as a vital research tool for advancing metabolomics investigations.

Dataset Information

Predictive Modeling of Lignin Content for the Screening of Suitable Poplar Genotypes Based on Fourier Transform-Raman Spectrometry.

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