BioNano Interfaces and Engineering Applications: On-Demand Oral Presentations
Sponsored by: TMS Functional Materials Division, TMS Structural Materials Division, TMS: Biomaterials Committee
Program Organizers: Candan Tamerler, University of Kansas; Hendrik Heinz, University of Colorado Boulder; Kalpana Katti, North Dakota State University; Terry Lowe, Colorado School of Mines; Po-Yu Chen, National Tsing Hua University

Monday 8:00 AM
March 14, 2022
Room: Biomaterials
Location: On-Demand Room

Nanostructured Metals for Miniaturized Medical Implants with Improved Biofunctionality: Ruslan Valiev1; Nariman Enikeev1; Benjamin Ewing2; Adam Griebel2; Terry Lowe3; 1UFA State Aviation Technical University; 2Fort Wayne Metals; 3Colorado School of Mines
    Over the recent decade the authors have performed numerous investigations to improve existing metallic biomaterials (Ti and Ti alloys, stainless steels, Mg and Fe alloys) by their nanostructuring for advanced medical applications using severe plastic deformation (SPD) processing. Nanostructured metals exhibit enhanced strength and fatigue life, which makes them an excellent choice for fabrication of implants with improved designs for dentistry and maxillofacial surgery. Moreover, surface modification of nanometals by chemical etching and bioactive coatings significantly improve other bioproperties that are important for medical devices. In this report we also discuss recent results on manufacturing nanostructured biometals with improved properties and the examples of fabrication of miniaturized medical implants with enhanced osseointegration.

Mechanics of Cellular Actin Filaments: Dinesh Katti1; Sharad Jaswandkar1; Kalpana Katti1; 1North Dakota State University
    In recent years, significant research efforts are being made to link cell mechanics and human diseases. In eukaryotic cells, the cytoskeleton is a three-dimensional dynamic structure that helps cells retain their form, internal organization, and mechanical rigidity. The cytoskeleton comprises the actin microfilaments, microtubules, and intermediate filaments. Our prior work has shown that the cell mechanics are significantly altered during cancer progression. We have also shown that the cancer cells' altered mechanical properties during disease progression are linked to the actin reorganization. In the current study, steered molecular dynamics (SMD) simulations have been used to study the actin mechanics. We find that the conformational locks and nonbonded interaction at interstrand and intrastrand interfaces regulate the F-actin dynamics. Also, the ADF/cofilin-bound F-actin molecular model elucidates the F-actin severing and depolymerization mechanisms. The F-actin mechanics described here are essential for constructing a mechanobiological eukaryotic cell model with disease progression.

A New Approach to the Mechanics of DNA: Atoms-to-beam Homogenization: Johannes Kalliauer1; Gerhard Kahl1; Stefan Scheiner1; Christian Hellmich1; 1Vienna University Of Technology
     In order to quantify the deformation characteristics of DNA by means of terms such as “bending”, “stretching”, or “twisting”, we propose an upscaling (or homogenization) approach, spanning a new conceptual bridge from molecular dynamics to beam theory: We apply the principle of virtual power (PVP) to classical continuum beams subjected to stretching and twisting, as well as to atomic compounds represented as discrete systems of mass points in the framework of molecular dynamics. Equating virtual power densities associated with continuum and discrete representations provides atoms-to-beam homogenization rules. The forces acting on the atoms are derived from energy potentials associated with bond stretching, valence and torsion angle variations, as well as electrostatic and van der Waals interactions. The presented strategy reveals deformation-dependent conformational changes, as well as the experimentally known paradox of “stretching due to overwinding”. Reference:Kalliauer, Kahl, Scheiner, Hellmich, J Mech Phys Sol 143, 104040, 2020.

Inductively Coupled Plasma for Cell and Microbial Interfacing Surfaces: Vinoy Thomas1; 1University of Alabama at Birmingham
     Non-thermal plasma has emerged as a viable method for surface engineering soft materials and biomaterials' interfaces. We have successfully utilized low temperature plasma (LTP) for making cell and blood-friendly material’s surfaces. Plasma surface functionalization by plasma enhanced reduction (PER) as the working principle to reduce the precursors in the plasma-phase onto the surface of substrate, irrespective of its nature as metallic/nonmetallic for anti-microbial properties. The process described has advantages over existing methods, in that it is a single-step, greener, and more cost-effective process. In addition, the radiofrequency plasma reactor can be used to modify the surface of various biomedical 3D printed scaffolds for anti-bacterial surfaces (e.g. mask).The talk will present the detailed process, surface characterization and in vitro biological properties.Acknowledgements: This work was supported by funding through NSF EPSCoR RII-Track-1 Cooperative Agreement OIA-1655280.

Biomaterials by Design: Chi-Hua Yu1; Wei Chen1; 1National Cheng Kung University
    Here we report new design approaches for various materials, such as nanocomposite materials, biomaterials, and bioinspired structural materials, using artificial intelligence (AI). AI can substantially improve computational ability, especially in multiscale modeling. Facilitated by a generative neural network trained with a dataset of Protein Data Bank (PDB) to generate de novo proteins with the desired ratio of secondary structures without running conventional simulations. We extend the capability of physical simulations beyond property predictions to optimize the design process through the algorithm. We also develop an algorithm consists of a machine learning predictor conjoined with an AI improved genetic algorithm, applied to discover biomaterials in a vast space of possible solutions. Our AI model generates the solutions at a dramatically lower computational cost compared to brute-force searching methods. These AI approaches can be easily applied to other nanocomposites, biomaterials, and other material classes and provides a transferrable and reliable design.

Designing and Optimization of Bio-inspired 3D Structures — From Ordered TPMS to Disordered Reaction Models: Cheng-Che Tung1; Wen-Fei Chen1; Chi-Hua Yu2; Shu-Wei Chang3; Chuin-Shan Chen3; Po-Yu Chen1; 1National Tsing Hua University; 2National Cheng Kung University; 3National Taiwan University
    Biological materials have been selected and optimized progressively through evolution. As a result, they often exhibit excellent functionality and remarkable adaptability owing to their meticulous microstructures and interfaces. In this study, several 3D microstructures of selected biological materials, e.g., termite nests, avian bones, antlers, cuttlebones, natural photonic crystals, were reconstructed by the micro-CT scan samples. These microstructures perform superior mechanical properties in terms of lightweight, high material utilization, and energy absorption. We systematically generated vast amount of bio-inspired ordered/disordered 3D surface structures by various theories and numerical analyses, such as triply periodic minimal surface (TPMS), spinodal decomposition, and reaction-diffusion models. We also exploited additive manufacturing alongside finite element simulation to elucidate the mechanisms between bio-inspired structures and their mechanical properties. This framework opens a new avenue on bio-inspired structural materials by design.

Antiviral Surface Topographies on Metal Surfaces: Terry Lowe1; Rebecca Reiss2; Heather Slomski1; 1Colorado School of Mines; 2New Mexico Tech
    The surfaces of solid-state metals and alloy can have antimicrobial effects based on their ability to disrupt critical biochemical and sub-cellular microbe processes. The extent to which such disruptive effects can be enhanced by altering surface architectures is explored in this work for 99.9% copper surfaces. We fabricated microscale and nanoscale topographies on copper strip, wire, and particles and then evaluated their antiviral effects using the enveloped Phi6 virus, a common surrogate for Coronaviruses, Ebola, and Hantivirus. Surface features that enhance microbe adsorption, surface chemical activity, and surface charge distribution were designed and then created by aqueous and gaseous phase reactions. The geometric features were quantified to show the relationship between topography and the time required for virus deactivation. Times for 50% reduction of the Phi6 virus titers (T50) varied widely depending upon surface architecture and were as low as 18 seconds.

Disrupted Osteogenesis at Bone Metastasis of Breast Cancer and Prostate Cancer: Kalpana Katti1; Haneesh Jasuja1; Dinesh Katti1; 1North Dakota State University
    The WHO reports 3.4M incidences and 1M deaths due to breast and prostate cancer. Both breast and prostate cancer metastasize to bone. We use novel nanoclay-based tissue-engineered scaffolds to mimic the bone-niche. On seeding the bone-scaffold with commercial and patient-derived cell lines of breast and prostate cancer, we create humanoid testbeds of bone-metastasis. The bone-metastatic testbed is used to screen drugs and develop new metastasis biomarkers. We evaluate role of cancer cells on osteogenesis, which has significant ramifications on therapies for bone metastasis patients for whom skeletal failures are common. The bone regenerative process is well characterized with the role of the Wnt/β-catenin signaling pathway. We report that Wnt/β-catenin signaling governs osteogenesis within the cancer-proximity bone-microenvironment. Morphological changes as well as ultrastructural changes to collagen fibrils are observed at the proximity of cancer metastasis. The novel testbed approach enables a unique platform for investigation of the cancer-bone interface at metastasis.