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Application of Py-GC/MS coupled with PARAFAC2 and PLS-DA to study fast pyrolysis of genetically engineered poplars

Hilal Ezgi Toraman (UGent) , Victor Abrahamsson, Ruben Vanholme (UGent) , Rebecca Van Acker (UGent) , Frederik Ronsse (UGent) , Gilles Pilate, Wout Boerjan (UGent) , Kevin Van Geem (UGent) and Guy Marin (UGent)
(2018) JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS. 129. p.101-111
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Abstract
Field-grown genetically engineered and wild-type poplars were pyrolyzed in a micro-pyrolysis (Py-GC/MS) setup under fast pyrolysis conditions. Poplars (Populus tremula x P. alba) down-regulated for cinnamoyl-CoA reductase (CCR), which catalyzes the first step of the monolignol-specific branch of the phenylpropanoid biosynthetic pathway, were grown in field trials in France and harvested after a full rotation of 2 years. The effect of small compositional differences, specifically small shifts in lignin composition and their impact on the bio-oil composition, could not be identified using principal component analysis (PCA), necessitating the use of more advanced analysis techniques. The combination of parallel factor analysis 2 (PARAFAC2) and partial least squaresdiscriminant analysis (PLS-DA) for detailed characterization and classification of the pyrolysis data enabled the classification of the poplars with a success rate above 99% using the PARAFAC2 scores. This methodology proved to be extremely valuable to identify subtle information in complex datasets, such as the one used in this study. The obtained PLS-DA models were validated by cross-validation, jackknifing and permutation tests in order to ensure that the model was not overfitting the data. PLS-DA showed that down-regulation of CCR disfavore the relative amount of both guaiacyl and syringyl lignin-derived compounds. This study shows that lignin engineering can be a promising strategy to alter the lignin composition of the biomass for the production of high value-added phenolic compounds.
Keywords
CINNAMOYL-COA REDUCTASE, PARTIAL LEAST-SQUARES, SIMULTANEOUS DOWN-REGULATION, BIO-OIL, LIGNOCELLULOSIC BIOMASS, THERMOCHEMICAL CONVERSION, BIOSYNTHETIC-PATHWAY, CHROMATOGRAPHIC DATA, LIGNIN BIOSYNTHESIS, GAS-CHROMATOGRAPHY, Pyrolysis, Field-grown transgenic plants, Phenolic compounds, PARAFAC2, PLS-DA

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MLA
Toraman, Hilal Ezgi, et al. “Application of Py-GC/MS Coupled with PARAFAC2 and PLS-DA to Study Fast Pyrolysis of Genetically Engineered Poplars.” JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, vol. 129, 2018, pp. 101–11, doi:10.1016/j.jaap.2017.11.022.
APA
Toraman, H. E., Abrahamsson, V., Vanholme, R., Van Acker, R., Ronsse, F., Pilate, G., … Marin, G. (2018). Application of Py-GC/MS coupled with PARAFAC2 and PLS-DA to study fast pyrolysis of genetically engineered poplars. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 129, 101–111. https://doi.org/10.1016/j.jaap.2017.11.022
Chicago author-date
Toraman, Hilal Ezgi, Victor Abrahamsson, Ruben Vanholme, Rebecca Van Acker, Frederik Ronsse, Gilles Pilate, Wout Boerjan, Kevin Van Geem, and Guy Marin. 2018. “Application of Py-GC/MS Coupled with PARAFAC2 and PLS-DA to Study Fast Pyrolysis of Genetically Engineered Poplars.” JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS 129: 101–11. https://doi.org/10.1016/j.jaap.2017.11.022.
Chicago author-date (all authors)
Toraman, Hilal Ezgi, Victor Abrahamsson, Ruben Vanholme, Rebecca Van Acker, Frederik Ronsse, Gilles Pilate, Wout Boerjan, Kevin Van Geem, and Guy Marin. 2018. “Application of Py-GC/MS Coupled with PARAFAC2 and PLS-DA to Study Fast Pyrolysis of Genetically Engineered Poplars.” JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS 129: 101–111. doi:10.1016/j.jaap.2017.11.022.
Vancouver
1.
Toraman HE, Abrahamsson V, Vanholme R, Van Acker R, Ronsse F, Pilate G, et al. Application of Py-GC/MS coupled with PARAFAC2 and PLS-DA to study fast pyrolysis of genetically engineered poplars. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS. 2018;129:101–11.
IEEE
[1]
H. E. Toraman et al., “Application of Py-GC/MS coupled with PARAFAC2 and PLS-DA to study fast pyrolysis of genetically engineered poplars,” JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, vol. 129, pp. 101–111, 2018.
@article{8548180,
  abstract     = {{Field-grown genetically engineered and wild-type poplars were pyrolyzed in a micro-pyrolysis (Py-GC/MS) setup under fast pyrolysis conditions. Poplars (Populus tremula x P. alba) down-regulated for cinnamoyl-CoA reductase (CCR), which catalyzes the first step of the monolignol-specific branch of the phenylpropanoid biosynthetic pathway, were grown in field trials in France and harvested after a full rotation of 2 years. The effect of small compositional differences, specifically small shifts in lignin composition and their impact on the bio-oil composition, could not be identified using principal component analysis (PCA), necessitating the use of more advanced analysis techniques. The combination of parallel factor analysis 2 (PARAFAC2) and partial least squaresdiscriminant analysis (PLS-DA) for detailed characterization and classification of the pyrolysis data enabled the classification of the poplars with a success rate above 99% using the PARAFAC2 scores. This methodology proved to be extremely valuable to identify subtle information in complex datasets, such as the one used in this study. The obtained PLS-DA models were validated by cross-validation, jackknifing and permutation tests in order to ensure that the model was not overfitting the data. PLS-DA showed that down-regulation of CCR disfavore the relative amount of both guaiacyl and syringyl lignin-derived compounds. This study shows that lignin engineering can be a promising strategy to alter the lignin composition of the biomass for the production of high value-added phenolic compounds.}},
  author       = {{Toraman, Hilal Ezgi and Abrahamsson, Victor and Vanholme, Ruben and Van Acker, Rebecca and Ronsse, Frederik and Pilate, Gilles and Boerjan, Wout and Van Geem, Kevin and Marin, Guy}},
  issn         = {{0165-2370}},
  journal      = {{JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS}},
  keywords     = {{CINNAMOYL-COA REDUCTASE,PARTIAL LEAST-SQUARES,SIMULTANEOUS DOWN-REGULATION,BIO-OIL,LIGNOCELLULOSIC BIOMASS,THERMOCHEMICAL CONVERSION,BIOSYNTHETIC-PATHWAY,CHROMATOGRAPHIC DATA,LIGNIN BIOSYNTHESIS,GAS-CHROMATOGRAPHY,Pyrolysis,Field-grown transgenic plants,Phenolic compounds,PARAFAC2,PLS-DA}},
  language     = {{eng}},
  pages        = {{101--111}},
  title        = {{Application of Py-GC/MS coupled with PARAFAC2 and PLS-DA to study fast pyrolysis of genetically engineered poplars}},
  url          = {{http://doi.org/10.1016/j.jaap.2017.11.022}},
  volume       = {{129}},
  year         = {{2018}},
}
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