Physical Sciences and Mathematics Commons^™

Rational Design Of Peptide-Based Materials Informed By Multiscale Molecular Dynamics Simulations, Dhwanit Rahul Dave

Dissertations, Theses, and Capstone Projects

The challenge of establishing a sustainable and circular economy for materials in medicine and technology necessitates bioinspired design. Nature's intricate machinery, forged through evolution, relies on a finite set of biomolecular building blocks with through-bond and through-space interactions. Repurposing these molecular building blocks requires a seamless integration of computational modeling, design, and experimental validation. The tools and concepts developed in this thesis pioneer new directions in peptide-materials design, grounded in fundamental principles of physical chemistry. We present a synergistic approach that integrates experimental designs and computational methods, specifically molecular dynamics simulations, to gain in-depth molecular insights crucial for advancing the …

Construction And Performance Optimization Of Bioconjugated Nanosensors For Early Detection Of Breast Cancer And Pro-Inflammatory Diseases, Pooja Gaikwad

Dissertations, Theses, and Capstone Projects

In recent years, nanosensors have emerged as a tool with strong potential in medical diagnostics. Single-walled carbon nanotube (SWCNT) based optical nanosensors have notably garnered interest due to the unique characteristics of their near-infrared fluorescence emission, including tissue transparency, photostability, and various chiralities with discrete absorption and fluorescence emission bands. Additionally, the optoelectronic properties of SWCNT are sensitive to the surrounding environment, which makes them suitable for in vitro and in vivo biosensing. Single-stranded (ss) DNA-wrapped SWCNTs have been reported as optical nanosensors for cancers and metabolic diseases. Breast cancer and cardiovascular diseases are the most common causes of death …

Tools And Strategies For The Patterning Of Bioactive Molecules And Macromolecules, Daniel J. Valles

Dissertations, Theses, and Capstone Projects

Hypersurface Photolithography (HP) is a printing method for fabricating structures and patterns composed of soft materials bound to solid surfaces and with ~1 micrometer resolution in the x, y, and z dimensions. This platform leverages benign, low intensity light to perform photochemical surface reactions with spatial and temporal control of irradiation, and, as a result, is particularly useful for patterning delicate organic and biological material. In particular, surface- initiated controlled radical polymerizations can be leveraged to create arbitrary polymer and block- copolymer brush patterns. Chapter 1 will review the advances in instrumentation architectures from our group that have made these …

Molecular Dynamics Simulations Of Self-Assemblies In Nature And Nanotechnology, Phu Khanh Tang

Dissertations, Theses, and Capstone Projects

Nature usually divides complex systems into smaller building blocks specializing in a few tasks since one entity cannot achieve everything. Therefore, self-assembly is a robust tool exploited by Nature to build hierarchical systems that accomplish unique functions. The cell membrane distinguishes itself as an example of Nature’s self-assembly, defining and protecting the cell. By mimicking Nature’s designs using synthetically designed self-assemblies, researchers with advanced nanotechnological comprehension can manipulate these synthetic self-assemblies to improve many aspects of modern medicine and materials science. Understanding the competing underlying molecular interactions in self-assembly is always of interest to the academic scientific community and industry. …

Ii-Vi Type-Ii Quantum Dot Superlattices For Novel Applications, Vasilios Deligiannakis

Dissertations, Theses, and Capstone Projects

In this thesis, we discuss the growth procedure and the characterization results obtained for epitaxially grown submonolayer type-II quantum dot superlattices made of II-VI semiconductors. We have investigated the spin dynamics of ZnSe layers with embedded type-II ZnTe quantum dots and the use of (Zn)CdTe/ZnCdSe QDs for intermediate band solar cell (IBSC). Samples with a higher quantum dot density exhibit longer electron spin lifetimes, up to ~1 ns at low temperatures. Tellurium isoelectronic centers, which form in the ZnSe spacer regions as a result of the growth conditions, were also probed. A new growth sequence for type-II (Zn)CdTe/ZnCdSe (QDs) was …

Synthesis And Characterization Of Dielectric And Multiferroic Nanocrystalline Transition Metal Oxide Materials And Nanocomposites, Frederick A. Pearsall

Dissertations, Theses, and Capstone Projects

Nanocrystalline transition metal oxides with unique chemical, physical, magnetic and dielectric properties have very broad applications, ranging from photocatalysis, capacitor energy storage and 4-state memory. Frequency stable, high permittivity nanocomposite capacitors produced under mild processing conditions offer an attractive replacement to MLCCs derived from conventional ceramic firing. In one project reported herein, 0-3 nanocomposites were prepared using BaTiO₃ (barium titanate, BTO) nanocrystals, suspended in a poly(furfuryl alcohol) matrix, resulting in a stable, high effective permittivity, low and stable loss dielectric. Effective medium approximations were used to compare this with similar nanocomposite systems. The use of synthesized BTO nanocrystal photocatalysts …

Nonlinear Optical Studies Of Defects And Domain Structures In Perovskite-Type Dielectric Ceramics, David J. Ascienzo

Dissertations, Theses, and Capstone Projects

In order to improve future generations of dielectric capacitors a deeper understanding of voltage-induced dielectric breakdown and electrical energy storage limitations is required. This dissertation presents the use of far-field optical second harmonic generation (SHG) polarimetry for probing structural defects and polar domains in linear and nonlinear perovskite dielectric ceramics. We investigated the formation of electric field-induced structural distortions at pristine Fe-doped SrTiO₃ (Fe:STO) electrode interfaces, structural defect and strain formation due to oxygen vacancy migration in electrodegraded Fe:STO single crystals, and mixed tetragonal and rhombohedral phase domains in ferroelectric Zr-doped BaTiO₃ (BZT) films exhibiting excellent …

Water Condensation And Protein Adsorption On Hybrid Superhydrophobic-Hydrophilic Surfaces, Bikash Mondal

Dissertations, Theses, and Capstone Projects

This thesis describes the study of protein adsorption and water condensation on hybrid superhydrophobic-hydrophilic surfaces for various technological applications such as diagnostics, artificial organs and medical devices, water collection, and heat transfer.

In the chapter 1, a general introduction to wetting theories, superhydrophobic surface, and hybrid surfaces is given. In chapter 2, design and fabrication of a hybrid superhydrophobic surface for studying dropwise condensation and heat transfer is discussed. Effect of surface chemistry and wettability on protein adsorption is discussed in the chapter 3. Finally, in chapter 4, the protein adsorption study on hybrid superhydrophobic surfaces made by 3D-printing and …

Zncdmgse As A Materials Platform For Advanced Photonic Devices: Broadband Quantum Cascade Detectors And Green Semiconductor Disk Lasers, Joel De Jesus

Dissertations, Theses, and Capstone Projects

The ZnCdMgSe family of II-VI materials has unique and promising characteristics that may be useful in practical applications. For example they can be grown lattice matched to InP substrates with lattice matched bandgaps that span from 2.1 to 3.5 eV, they can be successfully doped n-type, have a large conduction band offset (CBO) with no intervalley scattering present when strained, they have lower average phonon energies, and the InP lattice constant lies in the middle of the ZnSe and CdSe binaries compounds giving room to experiment with tensile and compressive stress. However they have not been studied in detail for …