Naslov
Model optimization of DERA-catalyzed double aldol addition

Autori
Vrsalović Presečki, Ana ; Švarc, Anera ; Vasić- Rački, Đurđa ; Hernandez, Karel ; Clapés, Pere ; Findrik Blažević, Zvjezdana

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Biocat 2018 - 9th International Congress on Biocatalysis, Abstracts / - Hamburg : Technische Universität Hamburg, 2018, 192-192

Skup
9th International Congress on Biocatalysis (Biocat 2018)

Mjesto i datum
Hamburg, Njemačka, 26.08.2018. - 30.08.2018

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
model ; optimization ; DERA ; aldol addition

Sažetak
[Introduction] The statin side-chain synthesis by the sequential aldol condensation catalyzed by DERA is the most known and promising route. Substrates in this reaction are usually inexpensive achiral components like acetaldehyde (1) and chloroacetaldehyde (2). The main advantage of this process is the formation of two stereocenters in a single step. The limitation for the industrial- scale application is enzyme deactivation caused by substrates as well by the intermediate produced by single aldol addition. [Objectives] In this work, instead of 2, protected aldehyde was used in reaction with two molecules of 1 catalyzed by DERA. In this reaction the formation of intermediate is negligible. As the protected aldehyde didn"t influence enzyme deactivation, the stability of DERA was significantly improved in this process. [Materials & Methods] Mathematical models in different reactor modes were developed based on independent kinetic measurements and include enzyme deactivation by 1. The model simulations were done by changing the initial conditions in batch and fed-batch reactor using the SCIENTIST software. Based on the simulations, the final product concentration (PC), yield (Y) and biocatalyst yield (BY) were calculated and taken as the process-relevant output. [Results] Three types of batch reactor were investigated considering repetitive supply of 1 and DERA (B1-DERA and 1 were added initially ; B2-DERA was added initially and 1 repetitively ; B3-DERA and 1 were added repetitively). The results were very similar regarding PC (cca. 80 g/L) and Y (> 90%). Differences in BY enabled us the comparison. The worst result was observed in B1 (BY = 5.44 g/g), while the best reactor was B2 (BY = 12.03 g/g). In the fed-batch reactor, 1 was slowly added to the reactor and the process was investigated in terms of the enzyme addition (FB1-DERA was added initially ; FB2-DERA was partially added initially and partly in feed ; FB3- DERA was only in the feed). The FB3 proved to be the worst considering BY. PC of 140 g/L, BY of 31 g/g and Y of 99% was accomplished in the FB1. [Conclusion] The industrial requirements for PC, Y and BY were satisfied in both studied reactors. In the fed-batch reactor process outputs were better making this reactor mode more appropriate for the DERA-catalyzed statin sidechain synthesis.

Izvorni jezik
Engleski

Znanstvena područja
Kemijsko inženjerstvo

Napomena
This work has received funding from the EU Horizon 2020 research and innovation programme under grant agreement 635595 "CarbaZymes".

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