Predicting rheological properties of HAMA/GelMA hybrid hydrogels via machine learning.

Journal: Journal of the mechanical behavior of biomedical materials
Published Date:

Abstract

- Rheological properties are pivotal in determining the printability of biomaterials, directly impacting the success of 3D bioprinted constructs. Understanding the intricate relationship between biomaterial formulations, rheological behavior and printability can facilitate the advancement and rapid development of biomaterials. Herein, we critically measured the rheological properties of hyaluronic acid methacrylate (HAMA)/gelatin methacrylate (GelMA) hybrid hydrogels with varied formulations and generated a dataset to train a machine learning (ML) model. By utilizing four well-known algorithms, we developed the ML model for the viscosity and shear stress of HAMA/GelMA hydrogel mixtures. To improve model interpretability, we further created a multilayer perceptron framed model, known as HydroThermoMLP, by incorporating the Redlich-Kister polynomial as the thermodynamic representation of viscosity of mixtures. To accomplish the MLP learning on limited data, the shared loss function was formulated on the basis of the R-K presentation to guide the joint training process. The established HydroThermoMLP model, while maintaining the same accuracy as Random Forest, produces outputs that adhere to thermodynamic constraints and instill confidence in generalization applications with a simple algorithm informed by the R-K polynomial. It presents a robust predictive ML tool to forecast the viscosity of hybrid hydrogels and direct the design of biomaterials while appropriately abiding by thermodynamic constraints as essential guidelines.

Authors

  • Bincan Deng
    Department of Foundational Mathematics, Xi'an Jiaotong-Liverpool University, Suzhou, 215123, China.
  • Sibai Chen
    Department of Chemistry, Xi'an Jiaotong-Liverpool University, Suzhou, 215123, China.
  • Fernando López Lasaosa
    Sino-Spain Joint Laboratory on Biomedical Materials (S2LBM), College of Materials Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.
  • Xuan Xue
    School of Pharmacy, University of Nottingham, Nottingham, United Kingdom.
  • Chen Xuan
    Department of Foundational Mathematics, Xi'an Jiaotong-Liverpool University, Suzhou, 215123, China.
  • Hongli Mao
    Sino-Spain Joint Laboratory on Biomedical Materials (S2LBM), College of Materials Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.
  • Yuwen Cui
    Sino-Spain Joint Laboratory on Biomedical Materials (S2LBM), College of Materials Science and Engineering, Nanjing Tech University, Nanjing, 210009, China. Electronic address: ycui@njtech.edu.cn.
  • Zhongwei Gu
    Sino-Spain Joint Laboratory on Biomedical Materials (S2LBM), College of Materials Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.
  • Manuel Doblaré
    Aragon Institute of Engineering Research (I3A), University of Zaragoza, Mariano Esquillor S/N, Zaragoza, Spain; Aragon Institute of Health Research (IIS Aragón), University of Zaragoza, San Juan Bosco 13, Zaragoza, Spain; Centro de Investigación Biomédica en Red en Bioingeniería, Biomateriales y Nanomedicina (CIBER-BBN), Monforte de Lemos 3-5, Pabellón 11. Planta 0, Madrid, Spain. Electronic address: mdoblare@unizar.es.