ref | title | DOI | material type | comment | |
---|---|---|---|---|---|
3843 | 657 | Density Functional Theory-Based Method to Predict the Activities of Nanomaterials as Peroxidase Mimics | https://doi.org/10.1021/acscatal.0c03426 | Metal oxide | Herein, we study the POD-mimetic activities of iron-oxide nanosurfaces with different chemical compositions, exposed facets, and structural defects using DFT calculations. |
ref | material | size | size err | size unit | size type | size comment | BET | b nanozyme | b 10n | b unit | specific act | sa 10n | sa unit | comment | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
7873 | 657 | iron oxides |
ref | material | enzyme type | substrate | pH | T | km | km err | km 10n | km unit | vmax | vmax err | vmax 10n | vmax unit | kcat | kcat err | kcat 10n | kcat unit | kcat/km | kcat/km 10n | kcat/km unit | comment | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
6538 | 657 | iron oxides | POD | 657 |
ref | material | application | target | method | linear range | linear ran unit | LOD | lod unit | recovery | comment | |
---|---|---|---|---|---|---|---|---|---|---|---|
5585 | 657 | iron oxides | The activity curves and descriptors are expected to serve as a simple but robust theoretical tool for computer-aided screening and design of nanozymes, which could greatly facilitate the discovery of new nanozymes in the future. |