Physical Sciences and Mathematics Commons^™

Combinatorial Algorithms For Perturbation Theory And Application On Quantum Computing, Yudong Cao

Open Access Dissertations

Quantum computing is an emerging area between computer science and physics. Numerous problems in quantum computing involve quantum many-body interactions. This dissertation concerns the problem of simulating arbitrary quantum many-body interactions using realistic two-body interactions. To address this issue, a general class of techniques called perturbative reductions (or perturbative gadgets) is adopted from quantum complexity theory and in this dissertation these techniques are improved for experimental considerations. The idea of perturbative reduction is based on the mathematical machinery of perturbation theory in quantum physics. A central theme of this dissertation is then to analyze the combinatorial structure of the perturbation …

Gravity-Assist Trajectories To Venus, Mars, And The Ice Giants: Mission Design With Human And Robotic Applications, Kyle M. Hughes

Open Access Dissertations

Gravity-assist trajectories to Uranus and Neptune are found (with the allowance of impulsive maneuvers using chemical propulsion) for launch dates ranging from 2024 to 2038 for Uranus and 2020 to 2070 for Neptune. Solutions are found using a patched conic model with analytical ephemeris via the Satellite Tour Design Program (STOUR), originally developed at the Jet Propulsion Laboratory (JPL). Delivered payload mass is computed for all solutions for select launch vehicles, and attractive solutions are identified as those that deliver a specified amount of payload mass into orbit at the target body in minimum time. The best cases for each …

Ambient Ionization - Mass Spectrometry: Advances Toward Intrasurgical Cancer Detection, Alan Keith Jarmusch

Open Access Dissertations

My dissertation research has focused on the development of ambient ionization – mass spectrometry (MS) for clinical measurements, specifically intrasurgical cancer detection. The molecular differences between normal and cancerous tissue were detected via direct tissue analysis in vitro by touch spray ionization (TS) or by analyzing sectioned or smeared tissue using desorption electrospray ionization (DESI). The physical form of the tissue, e.g. in vitro sampling, sectioned, or smeared, was inconsequential in differentiating normal from cancerous tissue; however, the spectra acquired by TS and DESI differed due to differences in ionization processes. We envision that TS-MS and DESI-MS could impact diagnostic …

A Framework For The Statistical Analysis Of Mass Spectrometry Imaging Experiments, Kyle Bemis

Open Access Dissertations

Mass spectrometry (MS) imaging is a powerful investigation technique for a wide range of biological applications such as molecular histology of tissue, whole body sections, and bacterial films , and biomedical applications such as cancer diagnosis. MS imaging visualizes the spatial distribution of molecular ions in a sample by repeatedly collecting mass spectra across its surface, resulting in complex, high-dimensional imaging datasets. Two of the primary goals of statistical analysis of MS imaging experiments are classification (for supervised experiments), i.e. assigning pixels to pre-defined classes based on their spectral profiles, and segmentation (for unsupervised experiments), i.e. assigning pixels to newly …

Plasmonic Devices Based On Transparent Conducting Oxides For Near Infrared Applications, Kim Jongbum

Open Access Dissertations

In the past decade, there have been many breakthroughs in the field of plasmonics and nanophotonics that have enabled optical devices with unprecedented functionalities. Even though remarkable demonstration of at photonic devices has been reported, constituent materials are limited to the noble metals such as gold (Au) and silver (Ag) due to their abundance of free electrons which enable the support of plasmon resonances in the visible range. With the strong demand for extension of the optical range of plasmonic applications, it is now a necessity to explore and develop alternative materials which can overcome intrinsic issues of noble metals …

Group Transformation And Identification With Kernel Methods And Big Data Mixed Logistic Regression, Chao Pan

Open Access Dissertations

Exploratory Data Analysis (EDA) is a crucial step in the life cycle of data analysis. Exploring data with effective methods would reveal main characteristics of data and provides guidance for model building. The goal of this thesis is to develop effective and efficient methods for data exploration in the regression setting.

First, we propose to use optimal group transformations as a general approach for exploring the relationship between predictor variables X and the response Y. This approach can be considered an automatic procedure to identify the best characteristic of P( Y|X) under which the relationship …

The Search For Dark Matter In Xenon: Innovative Calibration Strategies And Novel Search Channels, Shayne Edward Reichard

Open Access Dissertations

The direct detection dark matter experiment XENON1T became operational in early 2016, heralding the era of tonne-scale dark matter detectors. Direct detection experiments typically search for elastic scatters of dark matter particles off target nuclei. XENON1T's larger xenon target provides the advantage of stronger dark matter signals and lower background rates compared to its predecessors, XENON10 and XENON100; but, at the same time, calibration of the detector's response to backgrounds with traditional external sources becomes exceedingly more difficult.

A 220Rn source is deployed on the XENON100 dark matter detector in order to address the challenges in calibration of tonne-scale liquid …

Dynamic Holography In Semiconductors And Biomedical Optics, Hao Sun

Open Access Dissertations

Three-dimensional scanning and display are rapidly-advancing new technologies with important commercial drivers such as 3D printing and remote imaging for big data applications. Holography is a natural approach to recording and displaying three-dimensional information because it uses phase-sensitive interferometry to record interference patterns when a reference beam encounters coherent light arriving from an object. The 3D information is contained in the values of wave optics. Holography is a broad field that goes beyond recording and displaying. For instance, holographic optical elements, which take advantage of holographic imaging principles, perform the functions of lenses, gratings or mirrors. Holographic interferometry is also …

Preparative Mass Spectrometry Applications In Nanomaterials And Organic Synthesis, Michael Wleklinski

Open Access Dissertations

Preparative mass spectrometry was traditionally a vacuum based experiment where mass selected ion beams were deposited onto surfaces; however, recently ions have been manipulated in the open air to perform accelerated synthesis. The work of this dissertation focuses on the generation of charged ions from microdroplets and their use in organic synthesis and the preparation of atomically precise metal nanoclusters. First the mechanism for charging in the zero volt paper spray will be presented. This works builds a computational model based on the statistical fluctuation of positive and negative charges based on the theory of Dodd. It is found through …

Synthesis And Performance Of Novel Supramolecular Tools For Single-Particle Cryogenic Electron Microscopy And Drug And Gene Delivery, Kyle J. Wright

Open Access Dissertations

High-resolution biomacromolecular structure elucidation is fundamentally important to structure-based drug design and basic research into complex biochemical processes. Cryo-EM is an emerging alternative to XRD and NMR that is complementary in many ways relative to XRD and NMR. Materials approaches to cryo-EM are anticipated to greatly facilitate the cryo-EM process, allowing progress toward a more high-throughput application of cryo-EM to address challenges in structural biology. ^ Various affinity-based approaches inspired by approaches previously introduced for 2D crystallization were developed for facilitation of cryo-EM. A library of affinity lipopolymer constructs were synthesized consisting of lipopolymers of various PEG molecular weights conjugated …

Computational Environment For Modeling And Analysing Network Traffic Behaviour Using The Divide And Recombine Framework, Ashrith Barthur

Open Access Dissertations

There are two essential goals of this research. The first goal is to design and construct a computational environment that is used for studying large and complex datasets in the cybersecurity domain. The second goal is to analyse the Spamhaus blacklist query dataset which includes uncovering the properties of blacklisted hosts and understanding the nature of blacklisted hosts over time.

The analytical environment enables deep analysis of very large and complex datasets by exploiting the divide and recombine framework. The capability to analyse data in depth enables one to go beyond just summary statistics in research. This deep analysis is …

In-Column Polymer Modifications: Advancing Polymer Bonded Phases, Alexis G. Huckabee

Open Access Dissertations

Glycosylation is the most common post-translational modification affecting protein activities, including delivery to cell surface, binding affinity, and mediating different physiological effects. Separations of glycoproteins and their glycoforms are essential for drug discovery and development, identification of potential disease biomarkers and quality control. The efficiency of glycoprotein separations is limited by the bonded phases, requiring advances in chromatographic materials. Such advances would improve resolution, allowing for more species to be isolated from a mixture and studied.

Our group found that submicrometer nonporous silica stationary phases with tethered polymer chains (acrylamide) give excellent hydrophilic liquid chromatography (HILIC), a common method used …

Wave Propagation And Imaging In Structured Optical Media, Zun Huang

Open Access Dissertations

Structured optical media, usually characterized by periodic patterns of inhomogeneities in bulk materials, provide a new approach to ultimate control of wave propagation with possible practical applications: from distributed feedback lasers by diffraction gratings, to highly nonlinear performance for super-continuum generation, to fiber-optic telecommunications by microstructured photonic crystal fibers, to invisibility cloaking, to super-resolution imaging with metamaterials etc.

In particular, structured optical media allow to manipulate the wave propagation and dispersion. In this thesis, we focus on engineering the propagation phase dispersion by modulating the compositions and dimensions of the periodic elements. By tailoring the dispersion in momentum space, we …

Redox-Active Ligand Uranium Complexes For Approaches To Multi-Electron Chemistry, John J. Kiernicki

Open Access Dissertations

While transition metal complexes are known to participate in multi-electron redox chemistry to facilitate important organometallic transformations, actinides, due to their low redox potentials, have a propensity to perform single electron chemistry. Because of its highly reducing nature, the ability to control the electronics of low-valent uranium is highly sought after as this may lead to unprecedented reactivity. Our lab has specifically been interested in mediating multi-electron transformations at uranium by employing redox-active ligands. Redox-active ligands can be used to facilitate multi-electron processes such as oxidative addition and reductive elimination at single metal centers. Using primarily 2,6-((Mes)N=CMe)2C5H3N) ( MesPDIMe) as …

Functional Regression Models In The Frame Work Of Reproducing Kernel Hilbert Space, Simeng Qu

Open Access Dissertations

The aim of this thesis is to systematically investigate some functional regression models for accurately quantifying the effect of functional predictors. In particular, three functional models are studied: functional linear regression model, functional Cox model, and function-on-scalar model. Both theoretical properties and numerical algorithms are studied in depth. The new models find broad applications in many areas.

For the functional linear regression model, the focus is on testing the nullity of the slope function, and a generalized likelihood ratio test based on easily implementable data-driven estimate is proposed. The quality of the test is measured by the minimal distance between …

Modeling The Impact Of Land Surface Feedbacks On Post Landfall Tropical Cyclones, Subashini Subramanian

Open Access Dissertations

The land surface is an important component of numerical models. The land surface models are modules that control energy partitioning, compute surface exchange coefficients and form the only physical boundary in a regional scale numerical model. Thus, an accurate representation of land surface is critical to compute surface fluxes, represent the boundary layer evolution and affect changes in weather systems. Land surface can affect landfalling tropical cyclones in two ways: (i) when the cyclone is offshore and land can influence cyclones by introducing dry (or moist) air that can weaken (or strengthen) the organized convective structure of cyclones, and (ii) …

Divide And Recombined For Large Complex Data: Nonparametric-Regression Modelling Of Spatial And Seasonal-Temporal Time Series, Xiaosu Tong

Open Access Dissertations

In the first chapter of this dissertation, I briefly introduce one type of nonparametric regression method, namely local polynomial regression, followed by emphasis on one specific application of loess on time series decomposition, called Seasonal Trend Loess (STL). The chapter is closed by the introduction of D\&R; (Divide and Recombined) statistical framework. Data can be divided into subsets, each of which is applied with a statistical analysis method. This is an embarrassing parallel procedure since there is no communication between each subset. Then the analysis result for each subset are combined together to be the final analysis outcome for the …

Oscillation Of Quenched Slowdown Asymptotics Of Random Walks In Random Environment In Z, Sung Won Ahn

Open Access Dissertations

We consider a one dimensional random walk in a random environment (RWRE) with a positive speed limn→∞ (Xn/) = υα > 0. Gantert and Zeitouni showed that if the environment has both positive and negative local drifts then the quenched slowdown probabilities P ω(Xn < xn) with x∈ (0,υα) decay approximately like exp{- n1-1/s} for a deterministic s > 1. More precisely, they showed that n -γ log Pω(Xn < xn) converges to 0 or -∞ depending on whether γ > 1 - 1/s or γ < 1 - 1/ s. In this paper, …

Ultraviolet And Infrared Spectroscopy Of Synthetic Foldamers, Aib Homopeptides, And Solvated 1,2-Diphenylethane In The Gas Phase, Joseph R. Gord

Open Access Dissertations

The work presented here implements a supersonic jet expansion source to funnel the population of model peptides and solvated-bichromophore clusters into their low lying structural minima and to collisionally cool these minima to their respective zero-point vibrational levels. Single-conformation ultraviolet and infrared spectroscopy techniques are then used to probe these systems and investigate their electronic properties and uncover their intrinsic conformational preferences in the gas phase.

Model β/γ-peptides known as synthetic foldamers and aminoisobutyric acid (Aib) homopeptides incorporate structural constraints that are designed/known to impose particular structural motifs. Here the ability of a β/γ-dipeptide to replicate the backbone length of …

Studies Of Arctic Tropospheric Ozone Depletion Events Through Buoy-Borne Observations And Laboratory Studies, John W. Halfacre

Open Access Dissertations

The photochemically-induced destruction of ground-level Arctic ozone in the Arctic occurs at the onset of spring, in concert with polar sunrise. Solar radiation is believed to stimulate a series of reactions that cause the production and release of molecular halogens from frozen, salty surfaces, though this mechanism is not yet well understood. The subsequent photolysis of molecular halogens produces reactive halogen atoms that remove ozone from the atmosphere in these so-called “Ozone Depletion Events” (ODEs). Given that much of the Arctic region is sunlit, meteorologically stable, and covered by saline ice and snow, it is expected that ODEs could be …

Synthesis, Characterization, And Application Of Magnetic Gold Nanoclusters, Naveen Reddy Kadasala

Open Access Dissertations

Au–Fe3O4 nanocomposites are of great interest for technological reasons due to their combined optical and magnetic properties. Nanosized Fe3O4 particles are superparamagnetic and can also be coated with a layer of Au, which supports localized plasmon resonances for useful optical properties. The dual properties of Au–Fe3O 4 nanoparticles have inspired chemists to design a variety of synthetic routes, some with good control of overall shape and size. However, most approaches require organic solvents, surfactants, or harsh chemical conditions. In this thesis we describe a simple and highly reproducible synthesis of magnetically active gold nanoclusters (MGNCs) with average particle sizes under …

The Use Of Stable Isotopes And Particulate Matter In The Investigation Of Local And Regional Atmospheric Chemistry, Tanya Lynn Katzman

Open Access Dissertations

The chemical composition of particulate matter (PM), a known contributor to air pollution, is highly variable, and elemental analysis reveals information about local and regional sources, as well as how air masses and climate influence PM compositions. Seasonal changes in climate, such as temperature, amount of daylight, or meteorological patterns influence source emissions (increased residential heating activities, decreased natural soil emissions) and the relative importance of certain chemical pathways in the atmosphere. Since the magnitude of these seasonal changes are highly dependent on location, each sampling site is unique and the chemical composition of PM provides valuable insight into local …

Mass Spectrometric Characterization Of Remotely Charged Amino Acids And Peptides, Damodar Koirala

Open Access Dissertations

Ion–molecule reactions in a flowing afterglow are used to examine the electronic structure of 3- and 4-pyridinylnitrene-n-oxide radical anions. Reactions with nitric oxide are generally similar to those reported previously for other aromatic nitrene radical anions. In particular, phenoxide formation by nitrogen–oxygen exchange is observed with both isomers. Oxygen atom abstraction by NO is also observed with both isomers. Very significant differences in the reactivity are observed in the reactions of the two isomers with carbon disulfide. The reactivity of the 3-noxide isomer with CS2 is similar to that observed previously for nitrene radical anions, and reactions of the n-oxide …

Synthetic Studies Of Heparan Derivatives: Glycosyl Couplings And Post-Glycosylative Modifications, Hari Raj Khatri

Open Access Dissertations

Heparan sulfate (HS) and closely related heparin are comprised of alternating units of D-glucosamine and either D-glucuronic acid (D-GluA) or L-iduronic acid (L-IdoA), and support variable degrees of sulfation which can interact with a large number of proteins with diverse biological functions. HS oligosaccharides can be constructed from readily accessible D-GlcN and D-GlcA derivatives, but the inclusion of L-IdoA is less straightforward. To address this, our laboratory has developed alternative synthetic strategies for HS-like oligosaccharides to incorporate either D-GlcA or L-IdoA in a synthetically efficient manner by nucleophilic ring opening of 4-epoxypyranosides, which can be made from readily available D-hexoses …

Probing Symmetry And Disorder Effects In The Fractional Quantum Hall States Of The Second Landau Level, Ethan I. Kleinbaum

Open Access Dissertations

Electrons confined to two dimensions, cooled to cryogenic temperatures, and placed in a strong perpendicular magnetic field exhibit a set of ground states referred to as the fractional quantum Hall states (FQHS). The FQHSs forming in the region called the second Landau level are some of the most exciting states as several theories predict that they are very different from the well understood FQHS in the lowest Landau level. Nonetheless, the nature of these FQHSs continue to evade understanding. In this thesis, a unique ultra-low temperature setup is used to examine the FQHSs of the second Landau level in regimes …

Controlling For Confounding Network Properties In Hypothesis Testing And Anomaly Detection, Timothy La Fond

Open Access Dissertations

An important task in network analysis is the detection of anomalous events in a network time series. These events could merely be times of interest in the network timeline or they could be examples of malicious activity or network malfunction. Hypothesis testing using network statistics to summarize the behavior of the network provides a robust framework for the anomaly detection decision process. Unfortunately, choosing network statistics that are dependent on confounding factors like the total number of nodes or edges can lead to incorrect conclusions (e.g., false positives and false negatives). In this dissertation we describe the challenges that face …

Connecting Models Of Configuration Spaces: From Double Loops To Strings, Jason M. Lucas

Open Access Dissertations

Foundational to the subject of operad theory is the notion of an En operad, that is, an operad that is quasi-isomorphic to the operad of little n-cubes Cn. They are central to the study of iterated loop spaces, and the specific case of n = 2 is key in the solution of the Deligne Conjecture. In this paper we examine the connection between two E 2 operads, namely the little 2-cubes operad C 2 itself and the operad of spineless cacti. To this end, we construct a new suboperad of C2, which we name the operad of tethered …

Advances In Raman Hyperspectral Compressive Detection Instrumentation For Fast Label Free Classification, Quantitation And Imaging, Bharat R. Makani

Open Access Dissertations

Multiple prototypes of hyperspectral compressive detection (CD) Raman spectrometers have previously been constructed in the Ben-Amotz lab and have proven to be useful for fast, label-free chemical identification, quantitation and imaging. The CD spectrometer consists of a volume holographic grating (VHG) that linearly disperses the Raman photons into its component wavelengths and all wavelengths are focused onto a digital micromirror devise (DMD). The DMD is an optical modulator that consists of an array of programmable 10μm mirrors that can reflect photons in either +12° or -12° to the incoming light. The DMD is tilted such that the +12° photons go …

Rees Algebras And Iterated Jacobian Duals, Vivek Mukundan

Open Access Dissertations

Consider the rational map Ψ : [Special characters omitted.] where the fi's are homogeneous forms of the same degree in the homogeneous coordinate ring R = k[ x1,…,xd] of [Special characters omitted.]. Assume that I = (f 1,…,fm) is a height 2 perfect ideal in the polynomial ring R. In this context, the coordinate ring of the graph of Ψ is the Rees algebra of I and the co-ordinate ring of the image of Ψ is the special fiber ring. We study two settings. The first setting is when I is almost …

Nanophotonics For Dark Materials, Filters, And Optical Magnetism, Mengren Man

Open Access Dissertations

Research on nanophotonic structures for three application areas is described, a near perfect optical absorber based on a graphene/dielectric stack, an ultraviolet bandpass filter formed with an aluminum/dielectric stack, and structures exhibiting homogenizable magnetic properties at infrared frequencies. The graphene stack can be treated as a effective, homogenized medium that can be designed to reflect little light and absorb an astoundingly high amount per unit thickness, making it an ideal dark material and providing a new avenue for photonic devices based on two-dimensional materials. Another material stack arrangement with thin layers of metal and insulator forms a multi-cavity filter that …