Sustainable Biocatalytic Procedure for Obtaining New Branched Acid Esters
Abstract
:1. Introduction
2. Materials and Methods
2.1. Materials
2.2. Enzymatic Synthesis
2.3. Acid Value Determination
2.4. Gas Chromatography Analysis
2.5. Recovery of Immobilized Lipase
3. Results and Discussion
3.1. Biocatalytic Synthesis of 2-Ethylhexyl 2-Methylhexanoate
3.2. Biocatalyst Reuse and Process Productivity
3.3. Green Metrics and Economical Assessment
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Experiment | Temperature (°C) | Substrates Molar Ratio |
---|---|---|
Batch reactor | 70 and 80 | 1:1 |
Fed batch reactor with MHA stepwise addition | 70 and 80 | 1:1 |
Batch reactor with 10% EH molar excess | 70 and 80 | 1:1.1 |
Batch reactor with 20% EH molar excess | 80 | 1:1.2 |
Experimental Conditions | Product Concentration (% w/w) | Process Productivity (kg EHMH × kg Biocatalyst−1) |
---|---|---|
70 °C, 10% EH excess (biocatalyst single use) | 86.40 | 34.55 |
80 °C, 20% EH excess (biocatalyst single use) | 84.40 | 33.76 |
70 °C, 10% EH excess (biocatalyst six uses) | 84.93 | 203.84 |
80 °C, 20% EH excess (biocatalyst six uses) | 82.27 | 197.46 |
Green Metrics | 70 °C, 10% EH Excess | 80 °C, 20% EH Excess |
---|---|---|
Atom economy (AE) * (%) | 93.09 | 93.09 |
E-factor ** | 0.16 | 0.19 |
Carbon mass efficiency (CME) *** (%) | 86.10 | 83.85 |
Materials and Equipment | Cost Item | Prices |
---|---|---|
Biocatalyst and substrates | Novozym® 435 | 1600 € × kg−1 (Gifted) [30] |
MHA | 2.46 € × kg−1 [31] | |
EH | 0.82 € × kg−1 [32] | |
Thermostatic bath (70 °C) | Initial | 5.2 × 10−3 € × min−1 |
Maintenance | 2 × 10−4 € × min−1 | |
Thermostatic bath (80 °C) | Initial | 5.2 × 10−3 € × min−1 |
Maintenance | 6 × 10−4 € × min−1 | |
Vertical stirrer | 10−4 € × min−1 |
Cost Item | 70 °C, 10% EH Excess (Biocat. Single Use) | 80 °C, 20% EH Excess (Biocat. Single Use) | 70 °C, 10% EH Excess (Biocat. Six Uses) | 80 °C, 20% EH Excess (Biocat. Six Uses) |
---|---|---|---|---|
Start-up time (min) | 10 | 14 | 60 | 84 |
Reaction time (min) | 360 | 300 | 2700 | 2340 |
Biocatalyst (€ × kg EHMH−1) | 46.30 | 47.40 | 7.85 | 8.10 |
Substrates (€ × kg EHMH−1) | 1.85 | 1.85 | 1.88 | 1.90 |
Energy (€ × kg EHMH−1) | 9.59 | 16.22 | 11.42 | 17.03 |
Total cost (€ × kg EHMH−1) | 57.75 | 65.47 | 21.16 | 27.03 |
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Montiel, M.C.; Asensi, M.; Gimeno-Martos, S.; Máximo, F.; Bastida, J. Sustainable Biocatalytic Procedure for Obtaining New Branched Acid Esters. Materials 2021, 14, 6847. https://0-doi-org.brum.beds.ac.uk/10.3390/ma14226847
Montiel MC, Asensi M, Gimeno-Martos S, Máximo F, Bastida J. Sustainable Biocatalytic Procedure for Obtaining New Branched Acid Esters. Materials. 2021; 14(22):6847. https://0-doi-org.brum.beds.ac.uk/10.3390/ma14226847
Chicago/Turabian StyleMontiel, María Claudia, Miguel Asensi, Silvia Gimeno-Martos, Fuensanta Máximo, and Josefa Bastida. 2021. "Sustainable Biocatalytic Procedure for Obtaining New Branched Acid Esters" Materials 14, no. 22: 6847. https://0-doi-org.brum.beds.ac.uk/10.3390/ma14226847