Physical Sciences and Mathematics Commons^™

Applied Molecular Dynamics: From Targeting Viral Helicases, To Understanding The Interactions Of Cucurbituril Complexes In Ionic Solutions, Bryan Raubenolt

University of New Orleans Theses and Dissertations

Molecular Dynamics simulations are a highly useful tool in helping understand the fundamental interactions present in a variety of chemical systems. The work discussed here illustrates it’s use in determining the conformational dynamics of the Zika and SARS-Cov-2 helicase in a physiological environment, largely in an effort to discover inhibitors capable of rendering the protein inert. Additionally, we show how it can be used to understand paradoxical trends in the anion-induced precipitation of Cucurbituril cavitands.

Viral helicases are motor proteins tasked with unwinding the viral dsRNA, a crucial step in preparing the strand to be translatable by host cells. By …

Probing Structure, Function And Dynamics In Bacterial Primary And Secondary Transporter-Associated Binding Proteins, Shantanu Shukla

Doctoral Dissertations

Substrate binding proteins (SBPs) are ubiquitous in all life forms and have evolved to perform diverse physiological functions, such as in membrane transport, gene regulation, neurotransmission, and quorum sensing. It is quite astounding to observe such functional diversity among the SBPs even when they are restricted by their fold space. Therefore, the SBPs are an excellent set of proteins that can reveal how proteins evolution novel function in a structurally conserved/constrained fold. This study attempts to understand the phenomenon of affinity and specificity evolution in SBPs by combining a set of biochemical, biophysical, and structural studies on the SBPs involved …

Approaches To Studying Bacterial Biofilms In The Bioeconomy With Nanofabrication Techniques And Engineered Platforms., Michelle Caroline Halsted

Doctoral Dissertations

Studies that estimate more than 90% of bacteria subsist in a biofilm state to survive environmental stressors. These biofilms persist on man-made and natural surfaces, and examples of the rich biofilm diversity extends from the roots of bioenergy crops to electroactive biofilms in bioelectrochemical reactors. Efforts to optimize microbial systems in the bioeconomy will benefit from an improved fundamental understanding of bacterial biofilms. An understanding of these microbial systems shows promise to increase crop yields with precision agriculture (e.g. biosynthetic fertilizer, microbial pesticides, and soil remediation) and increase commodity production yields in bioreactors. Yet conventional laboratory methods investigate these micron-scale …

A Mechanistic Investigation Of Cytochrome C Nitrite Reductase Catalyzed Reduction Of Nitrite To Ammonia: The Search For Catalytic Intermediates, Shahid Shahid

Theses and Dissertations

Cytochrome c Nitrite Reductase (ccNiR) is a periplasmic homodimeric decaheme enzyme that catalyzes the reduction of nitrite to ammonium in a process that involves six electrons and eight protons. Under standard assay conditions, which use a strong reducing agent as an electron source, catalysis takes place rapidly without producing detectable intermediates. However, intermediates do accumulate when weaker reducing agents are employed, allowing the ccNiR mechanism to be studied. Herein, the early stages of Shewanella oneidensis ccNiR-catalyzed nitrite reduction were investigated in isolation by using the weak reducing agents N,N,N’,N’-tetramethyl-p-phenylenediamine (TMPD) and the 2-electron reduced form of indigo trisulfonate. Experiments were …

Structural Characterization Of Two Large Icosahedral Dna Viruses And Their Capsid Assembly Mechanisms, Yuejiao Xian

Open Access Theses & Dissertations

In the last three decades, many large DNA viruses were discovered and grouped into a loosely defined clade of Nucleocytoplasmic Large DNA Viruses (NCLDVs). NCLDVs infect a wide range of hosts from single cellular protists to large animals. Recently, these viruses were classified as a new phylum of Nucleocytoviricota under the kingdom of Bamfordvirae. The genomes of these Nucleocytoviricota viruses (NCVs) are remarkedly large and complicated, containing many cellular genes from all three domains of life, which raised intensive debates on their evolutionary origins. Despite being classified in the same phylum, their physical structures vary and can be roughly classified …

In The Margins: Reconsidering The Range And Contribution Of Diazotrophs In Nearshore Environments, Corday R. Selden

OES Theses and Dissertations

Dinitrogen (N₂) fixation enables primary production and, consequently, carbon dioxide drawdown in nitrogen (N) limited marine systems, exerting a powerful influence over the coupled carbon and N cycles. Our understanding of the environmental factors regulating its distribution and magnitude are largely based on the range and sensitivity of one genus, Trichodesmium. However, recent work suggests that the niche preferences of distinct diazotrophic (N₂ fixing) clades differ due to their metabolic and ecological diversity, hampering efforts to close the N budget and model N₂ fixation accurately. Here, I explore the range of N₂ fixation …

Carbon Metabolism In Cave Subaerial Biofilms, Victoria E. Frazier

Masters Theses

Subaerial biofilms (SABs) grow at the interface between the atmosphere and rock surfaces in terrestrial and subterranean environments around the world. Multi-colored SABs colonizing relatively dry and nutrient-limited cave surfaces are known to contain microbes putatively involved in chemolithoautotrophic processes using inorganic carbon like carbon dioxide (CO₂) or methane (CH₄). However, the importance of CO₂ and CH₄ to SAB biomass production has not been quantified, the environmental conditions influencing biomass production and diversity have not been thoroughly evaluated, and stable carbon and nitrogen isotope compositions have yet to be determined from epigenic cave SABs. …

Small Molecule Synthetic Carbohydrate Receptors, Marcelo F. Bravo Carranco

Dissertations, Theses, and Capstone Projects

Carbohydrate – receptor interactions are often involved in the attachment of viruses to host cells, and this docking is a necessary step in the virus life cycle that precedes infection and, ultimately, replication. Despite the conserved structures of the glycans involved in docking, they are still considered “undruggable”, meaning these glycans are beyond the scope of conventional pharmacological strategies. Recent advances in the development of synthetic carbohydrate receptors (SCRs) – small molecules that bind carbohydrates – could bring carbohydrate-receptor interactions within the purview of druggable targets. Here we discuss the role of carbohydrate-receptor interactions in viral infection, the evolution of …

1,4-Dioxane Biodegradation In Propanotrophs: Molecular Foundations And Implications For Environmental Remediation, Li Fei

Dissertations

1,4-Dioxane (dioxane) has emerged with an escalating concern given its human carcinogenicity and widespread occurrence in groundwater. Bioremediation is promising as an effective and cost-efficient treatment alternative for in situ or ex situ cleanup of dioxane and co-existing pollutants in the field. Soluble di-iron monooxygenases (SDIMOs) are reputed for their essential roles in initiating the cleavage of dioxane and other pollutants. In this doctoral dissertation, molecular foundations for SDIMOs-mediated dioxane biodegradation are untangled to promote the development and implication of site-specific bioremediation and natural attenuation strategies. This dissertation focused on propanotrophic bacteria given their pivotal roles in dioxane metabolism and …

Connections Between Hydrothermal System Geochemistry And Microbiology: Traversing Tectonic Boundaries In The South-Central Peruvian Andes, Heather Upin

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Geochemistry and microbiology are inherently tied in the natural world. The study of geomicrobiology has historically taken place in extreme systems, like hot springs of Yellowstone National Park and deep-sea hydrothermal vents, because the organisms that exist there have deep lineages on the tree of life and provide insight into early life on Earth. These microbes use chemical energy from nutrients available in their environment rather than relying on photosynthesis, energy obtained from the sun, to support their metabolism. The goal of this study is to improve our understanding of geological controls (for example the tectonic setting) on hot spring …

Synthesis, Characterization, And Biological Studies Of Novel Organoantimony(V) Cyanoximates, Kevin Anthony Pinks

MSU Graduate Theses

The requirement of new antimicrobial treatments has become an urgent field recently. Multi-drug resistant (MDR) bacteria are now resistant to common antibiotics. To antagonize such bacteria 8 novel organoantimony(V) cyanoximates were synthesized to be characterized and submitted for biological activity studies. Eight organoantimony(V) cyanoximates were characterized by elemental analysis, thermal analysis, IR-, ¹³C{¹H} NMR, some with UV-visible spectroscopy, and single crystal X-ray analysis. Antimicrobial Disk studies indicated Sb(Ph)₄(ACO) and Sb(Ph)₄(ECO) had significant antimicrobial effect against all three strains: two gram-negative a) Escherichia coli strain S17 and b) Pseudomonas aeruginosa strain PAO1, alongside a …

Innovative Approaches In The Discovery Of Aquatic Mycobacteriophages, Janis H. Doss

Biomedical Sciences Theses & Dissertations

Bacteriophages (phages), viruses that infect bacteria, have many applications in medicine, agriculture, molecular biology, and other fields. As antibiotic resistance becomes an increasing problem, interest in phages has grown. The traditional techniques of phage discovery are successful for some phages, but others require modified procedures to achieve detectable host infection.

Mycobacterium is a diverse bacterial genus characterized by a unique cell wall containing mycolic acids, which aids in survival and pathogenesis. The aims of the present research were to isolate mycobacteriophages, use bioinformatics techniques to analyze mycobacterial prophages, and combine genetic analysis with multi-well plate host range studies to identify …

Using Soil Geospatial Properties And Environments To Explore Microbial Diversity, Sharon Faye Smith

Graduate Theses and Dissertations

Soil microorganisms help maintain nutrient cycling, control carbon sequestration, impact plant productivity, and influence several soil chemical and physical properties; yet, the processes that control the microbial composition of soil and how environmental changes may affect the composition and activity of these organisms at different scales remains a difficult and intriguing puzzle for soil scientists, ecologists, and modelers. Wetlands are endangered and important ecosystems that provide several services, which are directly linked to soil function. However, few wetland assessments consider the soil environment and microbial ecology. Linking soil microbial community composition and distribution patterns to soil physio-chemical properties would provide …

Phenotypic Switching Of Bacterial Cells In Extreme Environments, Sudip Nepal

Graduate Theses and Dissertations

A large number of terrestrial microbial lives thrive in extremes of environmental conditions, including extremes of pressure, temperature, salinity, pH, and a combination of them. For example, all the marine biomass thrive at high hydrostatic pressure depending on depth. The temperature in the ocean can be very high near the hydrothermal vents and salinity and pH depends on the composition of salt in the surrounding areas. On the surface, hot springs, lakes and geysers provide high temperature conditions, while many places are permafrost regions with subzero temperatures. There is an emerging body of work on the viability, genomics, and metagenomics …

Antimicrobial Strategies For Topical Applications, Kelsey Marie Lopez

LSU Doctoral Dissertations

Bacteria can thrive in diverse environments and are often harmless or beneficial. Bacteria in digestive tracts is one example of beneficial bacteria; however, bacteria can be harmful and when this type proliferates, it can cause infections within hosts. Bacterial infections are easily treated with antibiotics in most cases. However, bacteria are also capable of developing mutations which could cause them to become multi-drug resistant and eventually, “superbugs.” Therefore, the development of novel antimicrobial agents and materials capable of combating drug-resistant bacteria is necessary. Research presented in this dissertation focuses on different strategies for minimizing and preventing topical bacterial infections using …

Analysis Of Biofilm Remediation Capacity For Octenyl Succinic Anhydride (Osa), A Bioactive Food Starch Modifier Compound, Matthew R. Borglin

Master's Theses

Matthew R. Borglin

This thesis demonstrates efficacy of Octenyl Succinic Anhydride (OSA), as a biofilm sanitizer. Biofilms allow bacteria to adhere to solid surfaces with the use of excreted polymeric compounds. For example, surfaces found in food production or processing facilities such as the interior of a raw milk holding tank, are some of the most susceptible to biofilm contamination. When present, biofilms can cause a variety of negative effects, which include; reduction of product shelf life, corrosion, and outbreaks of foodborne illnesses. The close association of biofilms with the majority of foodborne illness cases led the US Environmental Protection …

Molecular Insights Into Microbial Adhesion, Roger Davies Klein

Arts & Sciences Electronic Theses and Dissertations

Antibiotic-resistant bacterial infections are a serious and immediate threat to global public health. In the United States alone, over 2 million individuals develop antibiotic-resistant infections annually, resulting in 23,000 deaths and $20 billion in excess health care costs. Virulence factors that allow bacteria to invade and persist within the host are promising targets for novel antimicrobial agents that could be used to curb the spread of antibiotic resistance. Development of therapeutics that can selectively eliminate pathogenic bacteria while sparing the beneficial host microbiota requires a detailed molecular understanding of critical virulence factors that facilitate interactions between pathogens and their environments. …

Flavonoid And Cannabidiol Neural Glyoxalase Pathway Enhancement Against Aging And Alzheimer’S Disease, Joel R. Frandsen

Theses & Dissertations

Alzheimer’s Disease is a neurodegenerative condition featuring neural cell death and a decline in cognitive capacity caused by elevated inflammation and production of reactive oxygen species. The glyoxalase pathway is an endogenous antioxidant system that neutralizes reactive methylglyoxal through sequential reactions. Dysfunction of the glyoxalase pathway contributes to oxidative stress and the accumulation of inflammatory metabolic byproducts. Plant-produced compounds with antioxidant activity can enhance endogenous antioxidant pathways and protect cells from elevated ROS production. We hypothesize that flavonoids and limited Cannabis Sativa-produced cannabidiol can enhance glyoxalase pathway function through regulation of antioxidant and pro-apoptotic signaling pathways to prevent methylglyoxal-mediated …

Effects Of Warming On Decomposition Of Submerged Plant Litter And Associated Microorganisms In Streamside Channels, Kaity Ackerman

Electronic Theses and Dissertations

Surface air temperatures are predicted to increase in the near future, which will likely affect microbial activity and carbon flow in stream ecosystems. I performed an experiment in streamside channels at Coweeta Hydrological Laboratory, NC to assess responses of litter-associated microorganisms to moderate increases in water temperature (5 levels, ambient to +4°C). The objectives of the experiment were to determine: (1) if there are differences in the magnitude of responses to temperature among various microbial parameters and (2) whether microbial responses to temperature vary among plant litter of different carbon quality. Thus, I measured litter decomposition rate, fungal biomass (ergosterol), …

Quantification Of Interactions Between Influenza Hemagglutinin And Host Cell Phosphoinositides By Super-Resolution Microscopy, Matthew T. Parent

Electronic Theses and Dissertations

The influenza viral membrane protein hemagglutinin (HA) forms dense nanoscale clusters on host cell plasma membranes (PM), but the mechanisms that direct HA clustering are not well understood. Previous studies have observed HA associated with actin rich regions of the PM, but there are no known direct interactions between HA and actin. Phosphatidylinositol 4,5-biphosphate (PIP2) is a signaling lipid in the PM which can regulate the actin cytoskeleton, and actin comets initiated by PIP2 are known to be exploited by HA to reach the PM of infected cells. PIP2 is also used by other viruses, such as HIV and Ebola, …

Effects Of Light, Nutrients, And Salts On Microbial Biofilm Productivity And Detrital Processing In Aquatic Mesocosms, Bethanie Brooke Howard-Parker

Graduate Theses and Dissertations

Anthropogenic activities associated with urbanization, agriculture, and resource extraction continue to increase to support increasing needs of the growing population. These activities increase the amounts of pollutants entering freshwater streams and put aquatic ecosystems at structural and functional risk. Aquatic microbes play an important role in detrital processing in streams as a key linkage in moving carbon from detrital stocks into aquatic food webs. My research investigates the effects of light, nutrients, and salts on detrital microbes and decomposition in freshwaters using a mesocosm approach. In chapter one, I modified a current priming effect (PE) hypothesis model to include light …

The Release, Transport, And Utilization Of Phosphorus From Bed-Sediments: A Study Of A Eutrophic Littoral Cove On Beaver Lake In Northwest Arkansas, James A. Mccarty

Graduate Theses and Dissertations

Eutrophication of surface waters not only impacts the environment but also water treatment processes, the most significant of which is from the effects of algae. During peak algal growth in many southern U.S. reservoirs, inflows that bring nutrients are at an annual minimum, and phosphorus released from bed-sediments is trapped in the hypolimnion. Littoral areas, described as the most productive zone of the lake, may be a possible source of phosphorus that fuels algal growth in the reservoir. I studied an isolated shallow cove in the War Eagle Creek arm of Beaver Lake in Northwest Arkansas to measure, quantify, and …

Soil Microbial Diversity And Litter Decomposition Increase With Time Since Land Use Disturbance In Tropical Montane Forests Of Malaysian Borneo, Renee Sniegocki

Graduate Theses and Dissertations

Logging and forest conversion are occurring at alarming rates in the tropical forests of Southeast Asia. These disturbances alter soil chemistry, microbial diversity, and disrupt carbon cycling through shifts in litter decomposition. Direct links between microbial diversity and soil properties such as pH are well established; however, the indirect impacts of logging and forest conversion on microbial diversity and litter decomposition are poorly understood. We used surface (5 cm) soil to assess soil physicochemical properties, next-generation DNA sequencing to assess soil microbial diversity, and standardized litterbags to assess litter decomposition stabilization at five sites along a land use disturbance gradient …

Characterization Of Microbial Communities Across Disease States And Environmental Conditions In Kemp’S Ridley (Lepidochelys Kempii) And Green Sea Turtles (Chelonia Mydas), Kerry L. Mcnally

Graduate Doctoral Dissertations

All species of sea turtles are threatened or endangered, with various diseases and conditions affecting populations around the world. Understanding healthy populations as well as populations beset by disease conditions, such as fibropapillomatosis and cold-stunning, could lead to helpful tools in the conservation management and medical treatment needed to protect these species. Microbial communities, or the microbiome, at different body sites of sea turtles likely play important roles in the health of these animals, from aiding in digestion to immune system regulation. Disruption of these communities, either through disease and/or environmental factors, may play a role in disease processes and …

Contraction Analysis Of Functional Competitive Lotka-Volterra Systems: Understanding Competition Between Modified Bacteria And Plasmodium Within Mosquitoes., Nickolas Goncharenko

Electronic Thesis and Dissertation Repository

We propose and analyze an extension to the classic Competitive Lotka-Volterra (CLV) model. The goal is to model competition between species, with a response from the environment. This response is a function of the population of all species and can represent numerous physical phenomena including resource limitation and immune response of a host due to infection. We name this new system a Functional Competitive Lotka-Volterra (FCLV) model. We mainly use the construction of contraction metrics, to determine global properties of the model. We use this result to analyze the competition between Plasmodium sp. and genetically engineered bacteria within the midgut …

Diatom Community Composition Shifts Driven By Coherent Cyclonic Mesoscale Eddies In The California Current System, Zuzanna Maria Abdala

OES Theses and Dissertations

The California Current System (CCS) is characterized by an equatorward flowing eastern boundary current, as well as seasonal wind-driven coastal upwelling which supplies nutrient-rich waters to the surface and drives high coastal productivity. Cyclonic mesoscale eddies form off the coast in the CCS where they trap the highly productive upwelled coastal waters, along with their resident planktonic communities, and transport them offshore into the more oligotrophic California Current waters. The interaction between waters within and outside of the eddies is limited, and so the eddies act as natural mesocosms, where the resident phytoplankton population undergo ecological succession as the eddy …

The Ecology And Conservation Of An Urban Karst Subterranean Estuary, Robert J. Scharping

USF Tampa Graduate Theses and Dissertations

Sulphur Springs is an artesian spring and part of the limestone karst topography of metropolitan Tampa, Florida, USA. Underlying this spring is an extensive cave system that hosts saltwater vents and conspicuous microbial biofilm communities. For decades, water from Sulphur Springs has been extracted and used to supplement public water supply and dry season flows in the Hillsborough River Estuary. This dissertation describes research conducted at Sulphur Springs to determine the impacts of urban land use on the underlying cave and downstream estuary ecosystems, and presents the use of this system as a model to fill certain ecological knowledge gaps. …

Characterization Of The Physical And Chemical Effect Of Membrane Disruption And Protein Inhibiting Treatments On E. Coli, Khadijah Wright

Honors Undergraduate Theses

The increase in antibacterial resistance has placed the issue of microbial multi-drug resistance on a global stage (Gurunathan, 2019). This issue poses a threat to human and animal health as well as to the environment (Aslam et al., 2018). It affects not only the efficacy of treatment but also how those treatments are conducted (Friedman, Temkin, & Carmeli, 2016). As a result of this ongoing threat, new treatments that have potent effects on bacteria are necessary. One scientific response to this issue has been the development of multifunctional nanoparticles (NPs)(H. Wang et al., 2018). NPs have the ability to be …

Complex Ciliary Flows Around Stentor Polymorphus In Solutions Of 2% Buttermilk And Chlamydomonas Reinhardtii, Eliana B. Smithstein

Scripps Senior Theses

Stentor are large, unicellular ciliates of the Heterotricha order. They live in both freshwater and marine habitats and are mostly found in ponds. I studied Stentor polymorphus, which is a species of Stentor only recently discovered to be lab culturable. They range from 0.5-1.5mm in length and are unusual because they live with endosymbiotic algae and are much more likely than other, more widely studied, species of Stentor to form aggregates while they are eating. There are three main components to this thesis: First, I established protocols for keeping a viable S. polymorphus culture, since no protocols had been …

Microcystins And Liver Disease Mortality, Insights From An Ecological Study, Rajesh Tirpaul Melaram

Walden Dissertations and Doctoral Studies

Microcystins (MCs) are toxic secondary metabolites produced by freshwater cyanobacteria. Algal bloom subsidence can stimulate MC release, which can impair liver function if orally exposed to in large doses. The purpose of this retrospective, U.S. ecological study was to determine if MC exposure represented an environmental risk factor for liver disease mortality using a socioecological approach. A longitudinal ecological substudy investigated the association between average total MCs in Lake Washington and Lake Manatee and age-adjusted chronic liver disease (CLD)/cirrhosis death rates in Brevard County and Manatee County, Florida (FL). A prediction model of total MCs was deduced by quantifying levels …