<h3>Title</h3>
<p><span style="color: #0000ff;">Directed Self-Assembly of Biological and Bio-Inspired Molecules on Functional Nanomaterials</span></p>
<p><strong><span style="text-decoration: underline;">Abstract</span> :</strong></p>
<p>The self-assembly of bio-inspired molecules into well-defined hierarchical nanostructures has outlined some of the promising applications in molecular and cellular biophysics, including recent advances in the fabrication of biosensors for therapeutics and diagnostics, water purification, and biocatalysts. The molecular recognition and complementary growth patterns rely on understanding how biomolecules recognize and mediate intermolecular interactions with the nanomaterial’s surface. Due to the growing interest in developing nanoelectronic devices using unusual DNA-assemblies (“nano-oddities”), biological, and bio-inspired molecules, the proposal will advance <em>in silico</em> protocols to engineer hybrid nanostructures. Multiscale modeling methods, computer simulations, and experiments will be employed to systematically investigate the kinetic and thermodynamic effects on the assembly process. The distinctive patterns in assembly would, in turn, serve as fingerprints for biomolecular recognition at the solid/liquid interface.</p>
<p>In this part of my talk, I will cover, 1) doctoral research contributions on using multi-scale computational techniques for the rational design and application of functionalized nanomaterials in drug delivery, 2) postdoctoral research contributions on the surface mediated hierarchical self-assembly of noncanonical DNA nucleobases and synthetic analogs of DNA at the solid/liquid interface on graphene-based nanomaterials, and 3) proposed research on the directed self-assembly of biological and bio-inspired molecules on 2D transition metal dichalcogenides and other novel hybrid materials. The formation of stable hybrids will open new avenues in research for the design and application of novel DNA based biosensors and biocompatible nanoelectronic devices. By taking cues from the complimentary growth patterns, structural hierarchy, interfacial properties, and tunable functionality, the research proposal will establish design rules to assimilate biomimicry or bio-inspiration using nature’s design principles to model smart bio-inspired nanosystems and interfaces for sustainable energy, health, and environmental applications.</p>
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<p><u>Selected publications:</u></p>
<p><sup>*=Corresponding author</sup></p>
<ol>
<li><strong>Nabanita Saikia</strong>,<sup>*</sup> Probing the Adsorption Behavior and Free Energy Landscape of Single–Stranded DNA Oligonucleotides on Single–Layer MoS<sub>2</sub> with Molecular Dynamics. <em>Nanotechnology, </em>2021 (<em>under review</em>).</li>
<li><strong>2020 HOT PCCP article:</strong> <strong>Nabanita Saikia</strong>,<sup>*</sup> Taha, and Ravindra Pandey,<sup>*</sup> Peptide Nucleic Acid Functionalized Carbon and Boron Nitride Nanotubes: Mapping the Free-energy Landscape to Determine Dynamic Stability in Aqueous Solution. <em>Phys. Chem. Chem. Phys</em>. <strong>2021</strong>, 23, 219.</li>
<li><strong>Nabanita Saikia</strong>,<sup>*</sup> and Ravindra Pandey,<sup>*</sup> Polarity-Induced Surface Recognition and Self-Assembly of Noncanonical DNA Nucleobases on Hexagonal Boron Nitride. <em> Phys. Chem. C</em> <strong>2018</strong>, <em>122</em>, 3915.</li>
<li><strong>Nabanita Saikia</strong>,<sup>*</sup> Floyd Johnson, Kevin Waters and Ravindra Pandey,<sup>*</sup> Dynamics of Self-Assembled Cytosine Nucleobases on Graphene. <em>Nanotechnology</em> <strong>2018</strong>, <em>29</em>, 195601.</li>
</ol>