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Artificial neural networks in the modeling of the catalytic activity of a biosensor composed of conjugated polymers and urease

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Abstract

Thin films of conjugated polymer and enzyme can be used to unravel the interaction between components in a biosensor. Using artificial neural networks (ANNs) improves data interpretability and helps construct models with great capacity for classifying and processing information. The present work used kinetic data from the catalytic activity of urease immobilized in different conjugated polymers to create ANN models using time, substrate concentration, and absorbance as input variables since the models had absorbance in a posterior instant as output value to explore the predictivity of the ANNs. The performance of the models was evaluated by Pearson’s correlation coefficient (ρ) and mean squared error (MSE) values. After the learning process, a series of new experiments were performed to verify the generality of the models. As the main results, the best ANN model presented 0.9980 and 3.0736 × 10–5 for ρ and MSE, respectively. For the simulation step, intermediary values of substrate concentration were used. The mean absolute percentage error (MAPE) values were 3.34, 3.07, and 3.78 for 12 mM, 22 mM, and 32 mM concentrations, respectively. Overall, with the simulations, it was possible to ascertain the interpolatory capacity of the model, which has a learning mechanism based on absorbance and time as variables. Thus, the potential of ANNs would be in their use in pre-evaluations, helping to determine the substrate concentration at which there is higher catalytic activity or in determining the linear range of the sensor.

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Acknowledgements

We gratefully acknowledge FAPESP (2020/04427-2 and 2014/50869-6), CNPq (310647/2020-7) and CAPES (Education Ministry) (23038.000776/201754) via the projects of the National Institute for Science and Technology on Organic Electronics (INEO) for the financial support and 88887.608793/2021-00. GAP receives a CAPES fellowship (Finance code 001). FTA receives a CAPES fellowship (Finance code 001).

Funding

This work was supported by CAPES (88887.608793/2021–00, 23038.000776/201754 and 001), FAPESP (grant number 2020/04427–2 and 2014/50869–6), and CNPq (310647/2020–7).

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Authors and Affiliations

  1. Laboratory of Hybrid Materials, Federal University of São Paulo, Diadema, SP, Brazil

    Cléber Gomes de Jesus, Rebeca da Rocha Rodrigues & Laura Oliveira Péres

  2. Laboratory of Multiphasic Processes, Federal University of São Paulo, Diadema, SP, Brazil

    Carlos Alexandre Moreira da Silva

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  1. Cléber Gomes de Jesus
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  2. Rebeca da Rocha Rodrigues
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  3. Carlos Alexandre Moreira da Silva
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  4. Laura Oliveira Péres
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Contributions

Conceptualization; investigation; writing—original draft preparation: Cléber G. de Jesus. Writing—review and editing: Rebeca da R. Rodrigues, Carlos A. M. da Silva, Laura O. Péres. Supervision: Carlos A. M. da Silva and Laura O. Péres.

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Correspondence to Laura Oliveira Péres.

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de Jesus, C.G., da Rocha Rodrigues, R., da Silva, C.A.M. et al. Artificial neural networks in the modeling of the catalytic activity of a biosensor composed of conjugated polymers and urease. Anal Bioanal Chem 416, 1217–1227 (2024). https://doi.org/10.1007/s00216-023-05114-7

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