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 …

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 …

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 …

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 …

Electromagnetic Theory And Applications, Nicholas Madamopoulos, George Kliros

Open Educational Resources

This book intends to provide both the fundamentals of Electromagnetics but also some practical applications of the concepts covered. Having taught electromagnetics for several years, the authors feel that many times the field of electromagnetics comes as “old” and often times students do not appreciate the concepts and their importance in everyday applications. The authors intend to accompany the EM concepts with life applications. Hence, students may see the direct impact of the knowledge they acquire through the study of the field of electromagnetics and better appreciate the field.

Scientists And Activists Work To Save The Planet, Myriam G. Vidal Valero

Capstones

Climate change and human intervention in nature are affecting people, ecosystems and ways of living all over the world. This portfolio of environmental pieces showcases the dire consequences of not addressing these issues, how solutions can be reached and the challenges facing those who try to change things.

Arrayed Waveguide Lens For Beam Steering, Mostafa Honari-Latifpour, Ali Binaie, Mohammad Amin Eftekhar, Nicholas Madamopoulos, Mohammad-Ali Miri

Publications and Research

Integrated planar lenses are critical components for analog optical information processing that enable a wide range of applications including beam steering. Conventional planar lenses require gradient index control which makes their on-chip realization challenging. Here, we introduce a new approach for beam steering by designing an array of coupled waveguides with segmented tails that allow for simultaneously achieving planar lensing and off-chip radiation. The proposed arrayed waveguide lens is built on engineering the evanescent coupling between adjacent channels to realize a photonic lattice with an equi-distant ladder of propagation constants that emulates the continuous parabolic index profile. Through coupled-mode analysis …

Student Self-Grading Form, Brett Whysel

Open Educational Resources

This is a word document that students use at the beginning, midpoint, and end of a semester to set relevant goals, measure progress towards goals, and self-grade. It is intended to build motivation, metacognition, and accountability. Instructors may use it on its own or to supplement other assessment tools, and improve the accuracy, validity, and fairness of final grades.

Positive Rate-Dependent Action Potential Prolongation By Modulating Potassium Ion Channels, Candido Cabo

Publications and Research

Pharmacological agents that prolong action potential duration (APD) to a larger extent at slow rates than at the fast excitation rates typical of ventricular tachycardia exhibit reverse rate dependence. Reverse rate dependence has been linked to the lack of efficacy of class III agents at preventing arrhythmias because the doses required to have an anti-arrhythmic effect at fast rates may have pro-arrhythmic effects at slow rates due to an excessive APD prolongation. In this report we show that, in computer models of the ventricular action potential, APD prolongation by accelerating phase 2 repolarization (by increasing I_Ks) and decelerating …

Spotlight Report #6: Proffering Machine-Readable Personal Privacy Research Agreements: Pilot Project Findings For Ieee P7012 Wg, Noreen Y. Whysel, Lisa Levasseur

Publications and Research

What if people had the ability to assert their own legally binding permissions for data collection, use, sharing, and retention by the technologies they use? The IEEE P7012 has been working on an interoperability specification for machine-readable personal privacy terms to support this ability since 2018. The premise behind the work of IEEE P7012 is that people need technology that works on their behalf—i.e. software agents that assert the individual’s permissions and preferences in a machine-readable format.

Thanks to a grant from the IEEE Technical Activities Board Committee on Standards (TAB CoS), we were able to explore the attitudes of …

Designing Respectful Tech: What Is Your Relationship With Technology?, Noreen Y. Whysel

Publications and Research

According to research at the Me2B Alliance, people feel they have a relationship with technology. It’s emotional. It’s embodied. And it’s very personal. We are studying digital relationships to answer questions like “Do people have a relationship with technology?” “What does that relationship feel like?” And “Do people understand the commitments that they are making when they explore, enter into and dissolve these relationships?” There are parallels between messy human relationships and the kinds of relationships that people develop with technology. As with human relationships, we move through states of discovery, commitment and breakup with digital applications as well. Technology …

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 …

Towards Simulation Of Complex Ocean Flows: Analysis And Algorithm For Computation Of Coupled Partial Differential Equations, Wenbin Dong

Dissertations and Theses

The hybrid CFD models which usually consist of 2 sub-models, develop our capability to simulate many emerging problems with multiphysics and multiscale flows, especially for the coastal ocean flows interacted with local phenomena of interest. For most cases, the sub-models are connected with direct interpolation which is easy and workable. It becomes urgently needed to investigate the inner mechanism of such model integration as this simple method does not work well if the two sub-models are different in governing equations, numerical methods, and computational grids. Also, it can not treat complex flow structures as well as the balance in mass …

Biomedical Applications Of Lanthanide Nanomaterials, For Imaging, Sensing And Therapy, Qize Zhang, Stephen O'Brien, Jan Grimm

Publications and Research

The application of nanomaterials made of rare earth elements within biomedical sciences continues to make significant progress. The rare earth elements, also called the lanthanides, play an essential role in modern life through materials and electronics. As we learn more about their utility, function, and underlying physics, we can contemplate extending their applications to biomedicine. This particularly applies to diagnosis and radiation therapy due to their relatively unique features, such as an ultra-wide Stokes shift in the luminescence, variable magnetism and potentially tunable properties, due to the library of lanthanides available and their multivalent oxidation state chemistry. The ability to …

Evaluation Of Snow And Streamflow In The National Water Model With Analysis Using Machine Learning, Engela Sthapit

Dissertations and Theses

Snow has great influence on land-atmosphere interactions and snowmelt from the mountains is a vital water source for downstream communities dependent on snow fed lakes, rivers and streams. This study explored the snow and streamflow prediction capabilities of process-based numerical prediction and data-driven machine learning models.

The overall goal of this study was to understand the deficiencies in the NOAA’s National Water Model (NWM) to represent snow, subsequently streamflow, and recognize the areas where it could be improved for future model developments. The goal was also to evaluate if the recent advancements in machine learning techniques is useful for predicting …

Data Fusion And Synergy Of Active And Passive Remote Sensing; An Application For Freeze Thaw Detections, Zahra Sharifnezhadazizi

Dissertations and Theses

There has been a recent evolvement in the field of remote sensing after increase of number satellites and sensors data which could be fused to produce new data and products. These efforts are mainly focused on using of simultaneous observations from different platforms with different spatial and temporal resolutions. The research dissertation aims to enhance the synergy use of active and passive microwave observations and examine the results in detection land freeze and thaw (FT) predictions. Freeze thaw cycles particularly in high-latitude regions have a crucial role in many applications such as agriculture, biogeochemical transitions, hydrology and ecosystem studies. The …

Understanding The Relationship Between Urban Areas And The Boundary Layer Using Remote Sensing Methods, Gabriel A. Rios

Dissertations and Theses

The atmospheric boundary layer is crucial to the exchange in energy between the Earth's surface and the atmosphere. Within this layer, the majority of human activities are carried out, which makes understanding the boundary layer especially important for many of our interests. A key component of this energy exchange is found at the surface, was surface properties are the interface through which momentum, heat, moisture, and other fluxes are transferred between media. Not only does the surface act as an interface, but as an actor that influences the exchange efficiency and rates. This concept is the crux of atmospheric boundary …

Nonlinear Light - Matter Interactions Of Ultrafast High Intensity Laser Pulses, Henry Meyer

Dissertations and Theses

This thesis focuses on the key nonlinear optical effects that arise from the interactions of intense ultrafast laser pulses with various states of matter. These interactions involve electronic and molecular states and yield new information on the underlying fundamental processes that govern the molecular world. Modern day lasers offer ultrashort pulses, high intensities, and complex polarizations and wavefronts. These extreme conditions have profound effect on the optical properties and behaviors of electronic and molecular states within a material. The changes in these mechanisms effect generation of nonlinear optics, such supercontinuum (SC), stimulated Raman (SRS), self-focusing and filamentation, conical emission (CE), …

A Citizen-Science Approach For Urban Flood Risk Analysis Using Data Science And Machine Learning, Candace Agonafir

Dissertations and Theses

Street flooding is problematic in urban areas, where impervious surfaces, such as concrete, brick, and asphalt prevail, impeding the infiltration of water into the ground. During rain events, water ponds and rise to levels that cause considerable economic damage and physical harm. The main goal of this dissertation is to develop novel approaches toward the comprehension of urban flood risk using data science techniques on crowd-sourced data. This is accomplished by developing a series of data-driven models to identify flood factors of significance and localized areas of flood vulnerability in New York City (NYC). First, the infrastructural (catch basin clogs, …

Messiness: Automating Iot Data Streaming Spatial Analysis, Christopher White, Atilio Barreda Ii

Publications and Research

The spaces we live in go through many transformations over the course of a year, a month, or a day; My room has seen tremendous clutter and pristine order within the span of a few hours. My goal is to discover patterns within my space and formulate an understanding of the changes that occur. This insight will provide actionable direction for maintaining a cleaner environment, as well as provide some information about the optimal times for productivity and energy preservation.

Using a Raspberry Pi, I will set up automated image capture in a room in my home. These images will …

Tailoring Plasmon Excitations In Alpha − T 3 Armchair Nanoribbons, Andrii Iurov, Liubov Zhemchuzhna, Godfrey Gumbs, Danhong Huang, Paula Fekete, Farhana Anwar, Dipendra Dahal, Nicholas Weekes

Publications and Research

We have calculated and investigated the electronic states, dynamical polarization function and the plasmon excitations for α − T ₃ nanoribbons with armchair-edge termination. The obtained plasmon dispersions are found to depend significantly on the number of atomic rows across the ribbon and the energy gap which is also determined by the nanoribbon geometry. The bandgap appears to have the strongest effect on both the plasmon dispersions and their Landau damping. We have determined the conditions when relative hopping parameter α of an α − T ₃ lattice has a strong effect on the plasmons which makes our material distinguished …

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. …

Experimental Observation Of Topological Z2 Excitonpolaritons In Transition Metal Dichalcogenide Monolayers, Mengyao Li, Ivan Sinev, Fedor Benimetskiy, Tatyana Ivanova, Ekaterina Khestanova, Svetlana Kiriushechkina, Anton Vakulenko, Sriram Guddala, Maurice Skolnick, Vinod M. Menon, Dmitry Krizhanovskii, Andrea Alù, Anton Samusev, Alexander B. Khanikaev

Publications and Research

The rise of quantum science and technologies motivates photonics research to seek new platforms with strong light-matter interactions to facilitate quantum behaviors at moderate light intensities. Topological polaritons (TPs) offer an ideal platform in this context, with unique properties stemming from resilient topological states of light strongly coupled with matter. Here we explore polaritonic metasurfaces based on 2D transition metal dichalcogenides (TMDs) as a promising platform for topological polaritonics. We show that the strong coupling between topological photonic modes of the metasurface and excitons in TMDs yields a topological polaritonic Z₂ phase. We experimentally confirm the emergence of one-way …

Quo Vadis Lakes Azuei And Enriquillo: A Future Outlook For Two Of The Caribbean Basin's Largest Lakes, Mahrokh Moknatian, Michael Piasecki

Publications and Research

Lakes Azuei (LA) and Enriquillo (LE) on Hispaniola Island started expanding in 2005 and continued to do so until 2016. After inundating large swaths of arable land, submerging a small community, and threatening to swallow a significant trade route between the Dominican Republic and Haiti; worries persisted at how far this seemingly unstoppable expansion would go. The paper outlines the approach to a look forward to answer this question vis-à-vis climate change scenarios developed by the Intergovernmental Panel on Climate Change (IPCC). It uses numerical representations of the two lakes, and it examines how the lakes might evolve, deploying three …

On Communication For Distributed Babai Point Computation, Maiara F. Bollauf, Vinay A. Vaishampayan, Sueli I.R. Costa

Publications and Research

We present a communication-efficient distributed protocol for computing the Babai point, an approximate nearest point for a random vector X∈Rn in a given lattice. We show that the protocol is optimal in the sense that it minimizes the sum rate when the components of X are mutually independent. We then investigate the error probability, i.e. the probability that the Babai point does not coincide with the nearest lattice point, motivated by the fact that for some cases, a distributed algorithm for finding the Babai point is sufficient for finding the nearest lattice point itself. Two different probability models for X …

Alternative View Of Oxygen Reduction On Porous Carbon Electrocatalysts: The Substance Of Complex Oxygen-Surface Interactions, Giacomo De Falco, Marc Florent, Jacek Jagiello, Yongqiang Cheng, Luke L. Daemen, Anibal J. Ramirez-Cuesta, Teresa J. Bandosz

Publications and Research

Electrochemical oxygen reduction reaction (ORR) is an important energy-related process requiring alternative catalysts to expensive platinum-based ones. Although recently some advancements in carbon catalysts have been reported, there is still a lack of understanding which surface features might enhance their efficiency for ORR. Through a detailed study of oxygen adsorption on carbon molecular sieves and using inelastic neutron scattering, we demonstrated here that the extent of oxygen adsorption/interactions with surface is an important parameter affecting ORR. It was found that both the strength of O2 physical adsorption in small pores and its specific interactions with surface ether functionalities in the …

Exploring The Silent Aspect Of Carbon Nanopores, Teresa J. Bandosz

Publications and Research

Recently, owing to the discovery of graphene, porous carbons experienced a revitalization in their explorations. However, nowadays, the focus is more on search for suitable energy advancing catalysts sensing, energy storage or thermal/light absorbing features than on separations. In many of these processes, adsorption, although not emphasized sufficiently, can be a significant step. It can just provide a surface accumulation of molecules used in other application-driving chemical or physical phenomena or can be even an additional mechanism adding to the efficiency of the overall performance. However, that aspect of confined molecules in pores and their involvement in the overall performance …