BME101 BioInfo_2024Fall

Multiscale Modeling Overview

  • Presenter: Zhangli Peng, Department of Biomedical Engineering, University of Illinois Chicago (Oct 8, 2024)

Understanding Cell Mechanics

  • Cell Structure Components:

    • Roof Purlin, Fly Bracing, Beam Column Joints, Microtubule, Cell Membrane, Actin Filament, etc.

Industrial Applications

  • Modeling in Vehicle & Building Design:

    • Use of LS-DYNA for finite element simulations such as crash tests (e.g., Driver-side small overlap IIHS test).

Challenges in Modeling Living Materials

  • Difficulties:

    • Large visco-hyperelastic deformation

    • Dynamic self-assembly of structures

    • Entropy calculations and reaction path identification

    • Modeling non-equilibrium processes

    • Complex hierarchical structures (e.g., proteins, DNA)

    • Comparing experiments with high error margins due to heterogeneity

    • Fluid modeling (importance of water in life)

Addressing Challenges

  • Opportunities through Data:

    • Growth in molecular data via genomics, cryoEM, and more

    • Advancements in multiscale methods utilizing machine learning

    • Enhanced computational approaches for modeling biology

Red Blood Cell (RBC) Mechanics

  • Shape and Strength:

    • Importance of RBC shape in filtration and mechanical properties

    • Diseases related to RBC deformation (e.g., hereditary spherocytosis).

Mechanical Filtration Process

  • Filtration through the Spleen:

    • RBCs navigate through microcirculation, influenced by physical structures such as fibers and endothelial cells.

Motivation for Research on RBC Diseases

  • Global Impact:

    • Health issues affecting over 1 billion people from RBC diseases like malaria and sickle cell anemia.

Experimental Validation

  • Comparative Analysis:

    • Studies validating deformed shapes of RBCs against experimental data (e.g., Moreau et al.).

Advances in Proteomic Data

  • New Discoveries:

    • Insights into protein abundance and stoichiometry (e.g., Spectrin prevalence)

Spectrin and Cytoskeletal Structure

  • Spectrin Orientation:

    • Understanding geometrical aspects of RBC deformation supported by recent CryoEM data.

Mechanical Aging of RBCs

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  • Research Findings:

    • Effects of previous constrictions on cell density and sphericity index, implications for aging.

Applications and Future Directions

  • Bioengineering Innovations:

    • Modeling cancer cell behavior, drug delivery mechanisms, and other biomedical applications through advanced fluid modeling techniques.