Engineering 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 …

Containerization Of Seafarers In The International Shipping Industry: Contemporary Seamanship, Maritime Social Infrastructures, And Mobility Politics Of Global Logistics, Liang Wu

Dissertations, Theses, and Capstone Projects

This dissertation discusses the mobility politics of container shipping and argues that technological development, political-economic order, and social infrastructure co-produce one another. Containerization, the use of standardized containers to carry cargo across modes of transportation that is said to have revolutionized and globalized international trade since the late 1950s, has served to expand and extend the power of international coalitions of states and corporations to control the movements of commodities (shipments) and labor (seafarers). The advent and development of containerization was driven by a sociotechnical imaginary and international social contract of seamless shipping and cargo flows. In practice, this liberal, …

Uncertainties In Retrieval Of Remote Sensing Reflectance From Ocean Color Satellite Observations, Eder I. Herrera Estrella

Dissertations, Theses, and Capstone Projects

Ocean Color radiometry uses remote sensing to interpret ocean dynamics by retrieving remote sensing reflectance (𝑅𝑟𝑠) from satellite imagery at different scales and over different time periods. 𝑅𝑟𝑠 spectrum characterizes the ocean color that we observe, and from which we can discern concentrations of chlorophyll, organic and inorganic particles, and carbon fluxes in the ocean and atmosphere. 𝑅𝑟𝑠 is derived from the total radiance at the top of the atmosphere (TOA). However, it only represents up to ten percent of the total signal. Hence, the retrieval of 𝑅𝑟𝑠 from the total radiance at TOA involves the application of atmospheric correction …

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 …

Quantifying Temperature-, Pressure-, And Nuclear Quantum Effects On Hydrophobic And Hydrophilic Water-Mediated Interactions, Justin T. Engstler

Dissertations, Theses, and Capstone Projects

Water-mediated interactions (WMIs) are responsible for diverse processes in aqueous solutions, including protein folding and nanoparticle aggregation. WMI may be affected by changes in temperature and pressure, and hence, they can alter chemical/physical processes that occur in aqueous environments. Traditionally, attention has been focused on hydrophobic interactions while, in comparison, the role of hydrophilic and hybrid (hydrophobic–hydrophilic) interactions have been mostly overlooked. Here, we study the role of T and P on the WMI between nanoscale (i) hydrophobic–hydrophobic, (ii) hydrophilic–hydrophilic, and (iii) hydrophilic–hydrophobic pairs of (hydroxylated/non-hydroxylated) graphene-based surfaces. We find that hydrophobic, hydrophilic, and hybrid interactions are all sensitive to …

Tunable Linear And Nonlinear Metasurfaces Based On Hybrid Gold-Graphene Plasmons, Matthew Feinstein

Dissertations, Theses, and Capstone Projects

Optical Metasurfaces are planar structures that are patterned with subwavelength structures and are very thin compared to the wavelength of light. Despite their thinness, these structured materials can strongly interact with incident light to effect the functionalities of conventional optical components, such as rotation of the polarization state, beam steering, lensing, spectral filtering, and holography, to name a few. Metasurfaces can also facilitate nonlinear optical effects, such as the mixing of beams at different frequencies to generate a beam at a new frequency.

The ability to alter the behavior of a metasurface during operation is highly desired for applications such …

Representation Learning For Chemical Activity Predictions, Mohamed S. Ayed

Dissertations, Theses, and Capstone Projects

Computational prediction of a phenotypic response upon the chemical perturbation on a biological system plays an important role in drug discovery and many other applications. Chemical fingerprints derived from chemical structures are a widely used feature to build machine learning models. However, the fingerprints ignore the biological context, thus, they suffer from several problems such as the activity cliff and curse of dimensionality. Fundamentally, the chemical modulation of biological activities is a multi-scale process. It is the genome-wide chemical-target interactions that modulate chemical phenotypic responses. Thus, the genome-scale chemical-target interaction profile will more directly correlate with in vitro and in …

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 …

The Water/Energy Nexus: Climate, Consumption And Ecosystem Services, Hildegaard D. Link

Dissertations, Theses, and Capstone Projects

Water and energy are drivers of living systems. This work provides an assessment of the Water Energy Nexus in the United States, comparing the well-watered north-east and the arid west. Electric grid systems are most stressed on hot summer afternoons. Grid stress can lead to cascading failures of electricity, water and wastewater treatment systems. (Zimmerman, 2017) Water for power generation and/or water supply depend on ecosystem services. The ecosystem services and resource trade-offs embedded in provision of a watt of power and an ounce of potable water, however, have yet to be comprehensively enumerated nor have the cost relationships been …

Minimalistic Peptide-Based Supramolecular Systems Relevant To The Chemical Origin Of Life, Daniela Kroiss

Dissertations, Theses, and Capstone Projects

All forms of life are based on biopolymers, which are made up of a selection of simple building blocks, such as amino acids, nucleotides, fatty acids and sugars. Their individual properties govern their interactions, giving rise to complex supramolecular structures with highly specialized functionality, including ligand recognition, catalysis and compartmentalization. In this thesis, we aim to answer the question whether short peptides could have acted as precursors of modern proteins during prebiotic evolution. Using a combination of experimental and computational techniques, we screened a large molecular search space for peptide sequences that are capable of forming supramolecular complexes with adenosine …

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 …

Enhancing 3d Visual Odometry With Single-Camera Stereo Omnidirectional Systems, Carlos A. Jaramillo

Dissertations, Theses, and Capstone Projects

We explore low-cost solutions for efficiently improving the 3D pose estimation problem of a single camera moving in an unfamiliar environment. The visual odometry (VO) task -- as it is called when using computer vision to estimate egomotion -- is of particular interest to mobile robots as well as humans with visual impairments. The payload capacity of small robots like micro-aerial vehicles (drones) requires the use of portable perception equipment, which is constrained by size, weight, energy consumption, and processing power. Using a single camera as the passive sensor for the VO task satisfies these requirements, and it motivates the …

Vision-Based Assistive Indoor Localization, Feng Hu

Dissertations, Theses, and Capstone Projects

An indoor localization system is of significant importance to the visually impaired in their daily lives by helping them localize themselves and further navigate an indoor environment. In this thesis, a vision-based indoor localization solution is proposed and studied with algorithms and their implementations by maximizing the usage of the visual information surrounding the users for an optimal localization from multiple stages. The contributions of the work include the following: (1) Novel combinations of a daily-used smart phone with a low-cost lens (GoPano) are used to provide an economic, portable, and robust indoor localization service for visually impaired people. (2) …

Nanoporous Carbon-Based Co2 Reduction Catalysts: Exploring The Combined Effects Of Surface Chemistry And Porosity, Wanlu Li

Dissertations, Theses, and Capstone Projects

For the first-time sulfur-doped, nitrogen-doped and sulfur, nitrogen-codoped nanoporous carbons were systematically studied as catalysts for CO₂ electrochemical reduction reaction (CO₂ERR). The Faradaic efficiencies (FE) of CO and CH₄ formation were calculated to evaluate the performance of these carbons. The best catalysts showed the FE of CO and CH₄ formation of 29% and 0.76%, respectively. It was found that the overall performance in CO₂ERR dramatically increased upon the reduction pretreatment of the carbons in N₂-saturated electrolyte before the CO₂ reduction process. The pretreated carbon showed the maximum FE of CO …

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 …

Removal Of Organic Micro-Pollutants From Water Using Sewage Sludge Based Composite Adsorbents, Rui Ding

Dissertations, Theses, and Capstone Projects

Millions of tons of sewage sludge, waste oil sludge and fish waste are produced annually, and improper treatment/disposal of these wastes have resulted in numerous environmental issues. On the other hand, these wastes are rich in organic materials, metals, and inorganic minerals and could be sustainable resources if utilized properly. The main purpose of this dissertation study was, therefore, to convert these wastes into composite adsorbents, and then use these adsorbents to remove various types of organic pollutants, emerging organic contaminants in particular, from wastewater and drinking water sources.

It is hypothesized that a hydrophobic carbon phase in the composite …

Guidance Index For Shallow Landslide Hazard Analysis, Cheila Cullen

Dissertations, Theses, and Capstone Projects

Rainfall-induced landslides are one of the most frequent hazards on slanted terrains. They lead to considerable economic losses and fatalities worldwide. Intense storms with high-intensity and long-duration rainfall have high potential to trigger rapidly moving soil masses due to changes in pore water pressure and seepage forces. Nevertheless, regardless of the intensity-duration of the rainfall, shallow landslides are influenced by antecedent soil moisture conditions. To the present day, no system exists that dynamically interrelates these two factors.

This work establishes a relationship between antecedent soil moisture and rainfall expressed in the form of a Shallow Landslide Index (SLI) at 1km …

Vector Beams For Fundamental Physics And Applications, Giovanni Milione

Dissertations, Theses, and Capstone Projects

Lights salient degrees of freedom are the independent parameters that completely de- scribe an electromagnetic wave (in the paraxial approximation) and include polarization, wavelength, and time. Most recently, lights space degree of freedom has received sig- nificant attention via the sub-discipline of optics that can be referred to as complex light or structured light. The study of complex light is a veritable renaissance of optics; us- ing lights space degree of freedom many classical optics phenomena have been revisited with novel results. In this thesis, a novel form of structured light referred to as vector beams will be investigated. It …

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 …

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 …

Highly-Selective Chemiresistive Sensing And Analysis Of Vapors Using Functionalized Nanotubes, Deon Hines

Dissertations, Theses, and Capstone Projects

Specifically, the project involves the development of a diversified array of nanostructured gas-sensors comprised of selectively, novel surface-functionalized carbon nanotubes (for analyte selectivity by virtue of functionality). Harnessing carbon nanotubes with various electron withdrawing and donating groups help in determining their affinity toward certain prognostic gaseous markers thus increasing specificity of such created sensors. We have devised synthetic routes that have led to the facile production of covalently polyfunctionalized nanotubes in high yield. Seven carbon nanotube analogues were systematically considered and then chemically synthesized, from pristine single-walled nanotubes (SWNT's), for use as the main component of sensory units that was …

Label-Free Detection Of Cancer Cells With Polysilicon Sensor Chips And Biomolecule-Assisted Synthesis Of Shape-Controlled Nanoparticles, Menglu Shi

Dissertations, Theses, and Capstone Projects

Constant effort has been made for the detection of cancer cells. Recently, ovarian and kidney cancer cell lines have been shown to have higher cellular elasticity as compared to normal cells assessed by monitoring the degree of deformation under hyposmotic pressure. This method has been modified and applied to various cases. In cancer cells, the oncogenic mutant p53 (mtp53) protein is present at high levels and contributes to tumor growth and metastasis. Herein the influence of mtp53 on the mechanical property of breast cancer cells was assessed by monitoring the swelling ratio of cells with time using the impedance measurements. …

Biomolecule Mediating Synthesis Of Inorganic Nanoparticles And Their Applications, Zengyan Wei

Dissertations, Theses, and Capstone Projects

Project 1.

The conventional phage display technique focuses on screening peptide sequences that can bind on target substrates, however the selected peptides are not necessary to nucleate and mediate the growth of the target inorganic crystals, and in many cases they only show moderate affinity to the targets. Here we report a novel phage display approach that can directly screen peptides catalytically growing inorganic nanoparticles in aqueous solution at room temperature. In this study, the phage library is incubated with zinc precursor at room temperature. Among random peptide sequences displayed on phages, those phages that can grow zinc oxide (ZnO) …

Synthesis And Characterization Of A Novel Polyacetal & Design And Preparation Of Superhydrophobic Photocatalytic Surfaces, Yuanyuan Zhao

Dissertations, Theses, and Capstone Projects

Polyacetal polymers are thermoplastic resins that play an important role in industry because of numerous industrial applications including automobile; household appliance; etc. The first part of this thesis (Chapter 2) is about the synthesis of a new acetal copolymer that exhibits superior thermal stability. The second part of this thesis (Chapter 3) is about the preparation and applications of TiO₂-based polymer nanocomposite films, where the reactive oxygen species (ROS) are generated on the solid surface. Catalytic nanocomposite films are an active area of research because of their potential uses for environmental remediation and chemical synthesis. Furthermore, to …

Transport And Optical Properties Of Low-Dimensional Complex Systems, Andrii Iurov

Dissertations, Theses, and Capstone Projects

Over the last five years of my research work, I, my research was mainly concerned with certain crucial tunneling, transport and optical properties of novel low-dimensional graphitic and carbon-based materials as well as topological insulators. Both single-electron and many-body problems were addressed. We investigated the Dirac electrons transmission through a potential barrier in the presence of circularly polarized light. An anomalous photon-assisted enhanced transmission is predicted and explained in a comparison with the well-known Klein paradox. It is demonstrated that the perfect transmission for nearly-head-on collision in an infinite graphene is suppressed in gapped dressed states of electrons, which is …

Control Of Light-Matter Interaction Via Dispersion Engineering, Harish Natarajan Swaha Krishnamoorthy

Dissertations, Theses, and Capstone Projects

This thesis describes the design, fabrication and characterization of certain nanostructures to engineer light-matter interaction. These materials have peculiar dispersion properties owing to their structural design, which is exploited to control spontaneous emission properties of emitters such as quantum dots and dye molecules. We will discuss two classes of materials based on the size of their unit cell compared to the wavelength of the electromagnetic radiation they interact with. The first class are hyperbolic metamaterials (HMM) composed of alternate layers of a metal and a dielectric of thicknesses much smaller than the wave- length. Using a HMM composed of silver …

Nuclear Magnetic Resonance Studies On Lithium And Sodium Electrode Materials For Rechargeable Batteries, Tetiana Nosach

Dissertations, Theses, and Capstone Projects

In this thesis, Nuclear Magnetic Resonance (NMR) spectroscopic techniques are used to study lithium and sodium electrode materials for advanced rechargeable batteries. Three projects are described in this thesis. The first two projects involve 6Li, 7Li and 31P NMR studies of two cathode materials for advanced rechargeable batteries. The third project is a study of sodium titanate cathode materials for Na-ion batteries, where 1H, 7Li, and 23Na static and magic angle spinning NMR were used in order to obtain detailed information on the chemical environments.

Dynamics Of Nanoparticles In Fluids And At Interfaces, Weikang Chen

Dissertations, Theses, and Capstone Projects

In this thesis, we use molecular dynamics simulation to study three basic behaviors or properties of nanoparticles: deposition during droplets evaporation, slip boundary condition and Brownian motion. These three problems address the need for an in-depth understanding of the dynamics of nanoparticles in fluids and at interfaces. In the first problem, evaporation of the droplets dispersed with particles, we investigated the distribution of evaporative flux, inner flow field, density and temperature. And we use these numerical experiments to check on our hydrodynamic theory of the "coffee ring" phenomenon. The simulations reveal the connection between the particle interactions and the deposit …