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

Autor(es)

de Jesus, Cleber Gomes ; Rodrigues, Rebeca da Rocha ; da Silva, Carlos Alexandre Moreira ; Peres, Laura Oliveira

• Tipo de documento: Artigo Científico
• Fonte: ANALYTICAL AND BIOANALYTICAL CHEMISTRY; v. 416, n. 5, p. 11-pg., 2024-01-05.

Resumo

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 (rho) 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 x 10-5 for rho 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. (AU)

• Processo FAPESP: 20/04427-2 - Influência dos polímeros conjugados na formação de biossensores para detecção de uréia
• Beneficiário: Cléber Gomes de Jesus
• Modalidade de apoio: Bolsas no Brasil - Iniciação Científica
• Processo FAPESP: 14/50869-6 - INCT 2014: em Eletrônica Orgânica INEO
• Beneficiário: Roberto Mendonça Faria
• Modalidade de apoio: Auxílio à Pesquisa - Temático