Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 59, Issue 47, Pages 21080-21087Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202008339
Keywords
enzyme catalysis; lipase; nanomotors; molecular dynamics simulations; nanobiotechnology
Categories
Funding
- NSFC [51703043, 21871069]
- Marie Sklodowska-Curie Fellowship [712754, H2020-MSCA-IF-2016-753045]
- Severo Ochoa programme [SEV-2014-0425]
- Special Funded Project of China Postdoctoral Science Foundation [2020T130144]
- FEDER [B2017-BMD3731]
- Generalitat de Catalunya [2017 SGR-1707]
- Spanish MINECO [PGC2018-102192-B-I00, CTQ2015-68879-R, CTQ2015-72741-EXP, FJCI-2016-29512]
- European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program [ERC-2015-StG-679001]
- Spanish MINECO Juan de la Cierva incorporacion program [IJCI-2017-34129]
- MINECO - FEDER [SAF2014-59118-JIN]
- Comunidad Autonoma de Madrid - Universidad Complutense de Madrid [2017-T1/BIO-4992]
- Pro-CNIC Foundation
- MCIU/AEI/FEDER, UE [RTI2018-098164-B-I00]
- Comunidad Autonoma de Madrid [B2017-BMD3731]
- MINECO
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Enzyme-powered micro/nanomotors have myriads of potential applications in various areas. To efficiently reach those applications, it is necessary and critical to understand the fundamental aspects affecting the motion dynamics. Herein, we explored the impact of enzyme orientation on the performance of lipase-powered nanomotors by tuning the lipase immobilization strategies. The influence of the lipase orientation and lid conformation on substrate binding and catalysis was analyzed using molecular dynamics simulations. Besides, the motion performance indicates that the hydrophobic binding (via OTES) represents the best orienting strategy, providing 48.4 % and 95.4 % increase in diffusion coefficient compared to hydrophilic binding (via APTES) and Brownian motion (no fuel), respectively (withC([triacetin])of 100 mm). This work provides vital evidence for the importance of immobilization strategy and corresponding enzyme orientation for the catalytic activity and in turn, the motion performance of nanomotors, and is thus helpful to future applications.
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