Kinetic modeling of lipase-mediated one-pot chemo-bio cascade synthesis of R-1-phenyl ethyl acetate starting from acetophenone

Serap Sahin; Johan Wärnå; Päivi Mäki-Arvela; Tapio Salmi; Dmitry Yu Murzin

doi:10.1002/jctb.2285

Kinetic modeling of lipase-mediated one-pot chemo-bio cascade synthesis of R-1-phenyl ethyl acetate starting from acetophenone

Serap Sahin, Johan Wärnå, Päivi Mäki-Arvela, Tapio Salmi, Dmitry Yu Murzin

Laboratory of Industrial Chemistry and Reaction Engineering

Research output: Contribution to journal › Article › Scientific › peer-review

7 Citations (Scopus)

Abstract

BACKGROUND: A systematic investigation of mutual interference between a hydrogenation catalyst, Pd/Al2O3, and an immobilized lipase in a one-pot synthesis of R-1-phenyl ethyl acetate at 70 °C has been undertaken. This paper reports the kinetic modeling of lipase-mediated chemo-bio cascade synthesis of R-1-phenyl ethyl acetate starting from acetophenone. RESULTS: The kinetic results revealed that these catalysts were not acting independently but in concert. A mechanism which predicts the experimental observations for this reaction is proposed. CONCLUSION: The parameters of the kinetic model, which are in good agreement with the experimental data, were estimated through numerical data fitting. The reliability of the estimated parameters was analyzed using the Markov Chain Monte Carlo (MCMC) method.

Original language	English
Pages (from-to)	192-198
Number of pages	7
Journal	Journal of Chemical Technology and Biotechnology
Volume	85
Issue number	2
DOIs	https://doi.org/10.1002/jctb.2285
Publication status	Published - Feb 2010
MoE publication type	A1 Journal article-refereed

Keywords

Chemo-enzymatic catalysis
Immobilized lipase
Kinetic modeling
One-pot synthesis

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10.1002/jctb.2285

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title = "Kinetic modeling of lipase-mediated one-pot chemo-bio cascade synthesis of R-1-phenyl ethyl acetate starting from acetophenone",

abstract = "BACKGROUND: A systematic investigation of mutual interference between a hydrogenation catalyst, Pd/Al2O3, and an immobilized lipase in a one-pot synthesis of R-1-phenyl ethyl acetate at 70 °C has been undertaken. This paper reports the kinetic modeling of lipase-mediated chemo-bio cascade synthesis of R-1-phenyl ethyl acetate starting from acetophenone. RESULTS: The kinetic results revealed that these catalysts were not acting independently but in concert. A mechanism which predicts the experimental observations for this reaction is proposed. CONCLUSION: The parameters of the kinetic model, which are in good agreement with the experimental data, were estimated through numerical data fitting. The reliability of the estimated parameters was analyzed using the Markov Chain Monte Carlo (MCMC) method.",

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T1 - Kinetic modeling of lipase-mediated one-pot chemo-bio cascade synthesis of R-1-phenyl ethyl acetate starting from acetophenone

AU - Sahin, Serap

AU - Wärnå, Johan

AU - Mäki-Arvela, Päivi

AU - Salmi, Tapio

AU - Murzin, Dmitry Yu

PY - 2010/2

Y1 - 2010/2

N2 - BACKGROUND: A systematic investigation of mutual interference between a hydrogenation catalyst, Pd/Al2O3, and an immobilized lipase in a one-pot synthesis of R-1-phenyl ethyl acetate at 70 °C has been undertaken. This paper reports the kinetic modeling of lipase-mediated chemo-bio cascade synthesis of R-1-phenyl ethyl acetate starting from acetophenone. RESULTS: The kinetic results revealed that these catalysts were not acting independently but in concert. A mechanism which predicts the experimental observations for this reaction is proposed. CONCLUSION: The parameters of the kinetic model, which are in good agreement with the experimental data, were estimated through numerical data fitting. The reliability of the estimated parameters was analyzed using the Markov Chain Monte Carlo (MCMC) method.

AB - BACKGROUND: A systematic investigation of mutual interference between a hydrogenation catalyst, Pd/Al2O3, and an immobilized lipase in a one-pot synthesis of R-1-phenyl ethyl acetate at 70 °C has been undertaken. This paper reports the kinetic modeling of lipase-mediated chemo-bio cascade synthesis of R-1-phenyl ethyl acetate starting from acetophenone. RESULTS: The kinetic results revealed that these catalysts were not acting independently but in concert. A mechanism which predicts the experimental observations for this reaction is proposed. CONCLUSION: The parameters of the kinetic model, which are in good agreement with the experimental data, were estimated through numerical data fitting. The reliability of the estimated parameters was analyzed using the Markov Chain Monte Carlo (MCMC) method.

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KW - One-pot synthesis

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Kinetic modeling of lipase-mediated one-pot chemo-bio cascade synthesis of R-1-phenyl ethyl acetate starting from acetophenone

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Keywords

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