Bio-Nano Interfaces and Engineering Applications: Bio-Nano Interfaces II
Sponsored by: TMS Functional Materials Division, TMS Structural Materials Division, TMS: Biomaterials Committee
Program Organizers: Candan Tamerler, University of Kansas; Kalpana Katti, North Dakota State University; Hendrik Heinz, University of Colorado Boulder; Terry Lowe, Colorado School of Mines; Po-Yu Chen, National Tsing Hua University
Wednesday 2:00 PM
February 26, 2020
Room: Vista
Location: Marriott Marquis Hotel
Session Chair: Candan Tamerler, University of Kansas; Kalpana Katti, North Dakota State University
2:00 PM Keynote
Advances in Printing of Polymers at Small Length Scales: Roger Narayan1; 1University of North Carolina
Matrix assisted pulsed laser evaporation has several advantages over conventional approaches such as dip coating, spin coating, Langmuir-Blodgett dip coating, and pin arraying for creating thin films containing biomaterials. The thickness of the thin film that is applied to the surface of a medical device can be precisely controlled using this approach. Matrix assisted pulsed laser evaporation also offers precise control over roughness and homogeneity of the biomaterial thin films. In addition, matrix assisted pulsed laser evaporation is a “cold approach” that does not heat the biomaterial. In contrast, thin film thickness in many conventional thin film deposition approaches is not well controlled; for example, surface wetting may affect the thickness of thin film. In this presentation, several examples involving the use of matrix assisted pulsed laser evaporation for growth of biomaterial thin films will be considered.
2:30 PM Invited
Bioinspired Mineralization of Natural Polymers for Biomedical Applications: Conrado Aparicio1; 1University of Minnesota
We use natural organic matrices as structural templates for bottom-up fabrication of hybrid nanocomposites to build advanced biomaterials for tissue engineering. By controlling mineral deposition in the organic matrices, predictable morphology of the mineralized nanocomposites can be obtained. We have designed and used elastin-like recombinamers (ELRs) and different forms of nanocellulose to template mineralization of hydroxyapatite nanocrystals using biomimetic processes. The minerals are deposited within the framework/fibril of the polymeric template, attaining high mineral density, bioactive response, and mechanical propertiessimilar to those of natural hard tissues. ELRs are recombinant polypeptides that can self-assemble into twisted filaments. Cellulose nanofibers can be aligned so that intrafibrillar nanocompartments can be achieved. Amorphous mineral precursors infiltrate into the nanocompartments between the polymer’s ordered structures and then coalesce and crystallize. Diverse hybrid nanocomposites with optimized mechanical and biological properties can be constructed, suited for the treatment of hard tissue defects using regenerative medicine approaches.
3:00 PM Invited
Enzymes Grafted on Electrodes for Biofuel Cells: Lessons from Multiscale Modeling Approaches: Sophie Sacquin-Mora1; Nicolas Bourassin1; Marc Baaden1; 1Laboratoire de Biochimie Théorique, CNRS UPR9080;Institut de Biologie Physico-Chimique-Fondation Edmond de Rothschild, PSL Research University
Redox enzymes represent promising tools for H2-based technologies such as biofuel cells However, many aspects of theses enzymes remain to be understood. In particular, designing efficient biofuel cells requires us to grasp details of the interaction between the enzymes and the electrode surfaces on the molecular level. Such information can be obtained using molecular modeling approaches on different scales, either with classical all-atom Molecular Dynamics simulations, or with coarse-grain calculations based on Elastic Network Models. Applications on [NiFe]-hydrogenases (which catalyze hydrogen oxidation) and copper-billirubin oxidase (which catalyzes oxygen reduction) show how simulations give us insight on factors determining enzymes orientation on the electrode surfaces, and how the adsorption on a solid surface can impact proteins structure, dynamics and mechanical properties, and therefore their catalytic activity.
3:30 PM Break
3:45 PM Invited
Cancer Cell Mechanics: The Role of Actin: Dinesh Katti1; Sharad Jaswandkar1; H M Nasrullah Faisal1; Kalpana Katti1; 1North Dakota State University
The progression of cancer is manifested by extreme morphological and mechanical changes of the cancer cells as cells cluster and form tumors. The mechanobiology of cancer cells serves as a potential biomarker for cancer progression. We have constructed tissue-engineered test-beds to mimic the progression of prostate and breast cancer metastasized to the bone site and captured the evolution of cell morphology, cytoskeleton, and mechanics of the cells during cancer progression. Computational models of cancer cells demonstrate the crucial role of cytoskeletal elements such as actin and microtubules on cell mechanics. Actin dynamics during cancer progression is captured in the test-beds. A computational multiscale framework to evaluate the mechanical response of actin and actin conformations has been developed, allowing for molecular-scale interactions and changes to actin upscaled to a finite element model of cancer cells. The results elucidate the role of actin on the mechanobiology of cancer cells during progression.
4:15 PM Invited
The Internal Nano-interfaces of Spider Silk: Finding the Molecular-scale Origins of its Strength: Qijue Wang1; Hannes Schniepp1; 1The College of William & Mary
Spider silk is a prototype of a protein-based material with outstanding mechanical properties. Understanding the mechanisms giving rise to its high strength will be a pivotal for the development of synthetic protein materials for structural applications. We have recently identified spider silks consisting entirely of loosely bonded, long, parallel nanofibrils, which has led us to develop the most detailed, imaging-based structural model of spider silk to date. Knowing the structure so well, we were able to reveal the mechanical interactions of its nanoscale constituents via force spectroscopy for the first time. The nanostructure of oriented nanofibrils makes the material’s mechanical properties highly anisotropic, which we measured using a newly developed experimental setup, complemented by finite element analysis. The measured breaking force between individual nanofibrils provides insight into the molecular-scale binding mechanisms of spider silk.
4:45 PM Cancelled
Engineering Peptides for Nanomaterials: Handan Acar1; 1University of Oklahoma
Engineering at the nanoscale has been an active area of science and technology in recent years. Inspired by nature, the first part of this talk will discuss the synthesis of functional inorganic materials using synthetic organic templates. For this purpose, an amyloid-like peptide sequence was designed that is capable of self-assembling into nanofibers in convenient conditions. The results obtained in these studies encourage the use of a new bottom-up synthesis approach.In the second part of the talk I will discuss peptides as a promising revolution in cancer therapeutics, promoting cancer cell apoptosis via modulation of protein-protein interactions, offering superior specificity and fewer off-target effects than existing drugs. Peptide delivery is typically achieved by employing self-assembled nanoparticles composed of molecules known as peptide amphiphiles. I will describe the research efforts in my lab to better understand the interactions of these nanoparticles in the biological environment.
5:15 PM
Molecular Recognition and Assembly of Biomaterials: Computational and Data Science Tools for Property Predictions: Hendrik Heinz1; 1University of Colorado Boulder
The development of biologically inspired materials typically involves extensive trial-and-error studies. Rational understanding and design using modeling and simulation become increasingly feasible due to more accurate models and affordable computing resources. We will share atomic-level insights insights into biomaterials properties at the 1 to 1000 nm scale using the Interface force field (IFF), including recognition and assembly of metal, oxide, and biomineral nanostructures mediated by biomolecules and polymers. Examples include nucleation and growth of bone, low dimensional materials, catalysts, hydrogels, and therapeutics. We will then discuss new opportunities using reactive simulations (IFF-R) and data science tools to learn and interpret the information contained in large computational and experimental data sets to accelerate property predictions. We outline the process of generating a feature representation, the translation into reinforcement learning with nodes and edges, and Bayesian-based uncertainty quantification of predicted properties. Requirements for data sets and first applications will be described.