Life Sciences Commons^™

Constituent Partitioning Consensus Docking Models And Application In Drug Discovery, Rainer Metcalf

USF Tampa Graduate Theses and Dissertations

This work expounds on some of the current computational tools and programs available and the best practices associated with their use. A high-level introduction, intended for both novices and the semi-experienced, focusing on the more common programs used in scientific literature is the scope of this topic. Both classical and quantum techniques are described. Classical methodologies include Molecular Dynamics, Monte Carlo, energy minimization methods, molecular docking, low-mode, and homology modeling. Quantum chemistry techniques are also discussed encompassing Hartree-Fock, Post-Hartree-Fock theories, and Density Functional Theory along with associated basis sets.

Along with established methodologies, novel theoretical methods are introduced for furthering …

Ecological Responses Of Seascape Heterogeneity, Dinorah H. Chacin

USF Tampa Graduate Theses and Dissertations

A core aim of landscape ecologists as well as conservation and management practices has been to understand how processes that structure communities vary as a function of landscape context. Landscape heterogeneity (i.e. landscape composition, configuration) and fine-scale habitat characteristics can influence ecological interactions across habitat patches at a range of scales. Therefore, the main objective of this work is to apply a landscape ecology perspective to understand how seascape heterogeneity can influence demographic rates, community patterns, and ecological processes. To accomplish this overall goal, I conducted a literature review on oyster reefs from a seascape ecology perspective (Chapter 1) and …

Lung Cancer Cells Survive Egfr Tki Exposure Through Upregulation Of Cholesterol Synthesis, Mark Howell

USF Tampa Graduate Theses and Dissertations

Lung cancer is the number one cause of cancer related death in both males and females. About 20% of all non-small cell lung cancer (NSCLC) patients are expected to harbor an epidermal growth factor receptor (EGFR) activating mutation. EGFR inhibitors have been shown to provide clinical benefits over chemotherapy for lung cancer patients with EGFR activating mutations. However, despite the initial clinical responses to these EGFR targeted therapies, long-term efficacy is not possible because acquired drug resistance hampers the effectiveness of these therapies. We found that a fiber inspired smart scaffold (FiSS) platform established in our laboratory allows growth of …

Amyloid Protein Aggregation And Associated Toxicity, Chamani A. Niyangoda

USF Tampa Graduate Theses and Dissertations

Amyloidosis is a group of diseases in which amyloid fibrils accumulate and deposit into plaques and intracellular inclusions which lead to disruption of the tissue architecture and function. Most of the amyloid diseases are incurable due to a lack of understanding of the amyloid formation, as well as associated toxicity. My research work is focused on three different aspects of amyloid aggregation.

The aim of the first project is to investigate the potential use of deep-blue autofluorescence (dbAF) as an intrinsic optical probe to study amyloid self-assembly. This novel fluorescence signal is excited at the long wavelength edge of the …

The Role Of Atypical Protein Kinase C In Colorectal Cancer Cells Carcinogenesis, S M Anisul Islam

USF Tampa Graduate Theses and Dissertations

Colorectal cancer (CRC) is the third most common malignancy and the fourth most common cause of cancer-related death worldwide. CRC is a life-threatening disease due to therapy-resistant cancerous cells. The exact mechanisms of cell growth, survival, metastasis and inter & intracellular signaling pathways involved in CRC are still a significant challenge. Moreover, the treatment of metastatic CRC considered palliative for many years aimed for an improved life, with little hope of a cure, highlighting the need for developing novel targeted therapy for CRC. Hence, investigating new molecular mechanism(s) that lead to colorectal carcinogenesis may give insight into the therapeutic target. …

Untapped Potential Of Gorgonian Octocorals For Detecting Environmental Change In Biscayne National Park, Florida, Usa, Selena A. Kupfner Johnson

USF Tampa Graduate Theses and Dissertations

One consequence of dramatic stony-coral loss has been recognition that gorgonian octocorals (Anthozoa: Octocorallia) have emerged among the dominant reef fauna. However, gorgonians are notoriously difficult to field-identify and consequently have been underrepresented in most monitoring efforts resulting in a lack of long-term data. The rich diversity of habitats, close proximity to the urban center of Miami, and connectivity to other areas of Florida have made Biscayne National Park an active location for reef research since its establishment in 1968. As such, a plethora of data (e.g., museum specimen and species abundance data) has been collected and stored in archives …

The Role Of Secreted Proteases In Regulating Disease Progression In Staphylococcus Aureus, Brittney D. Gimza

USF Tampa Graduate Theses and Dissertations

Staphylococcus aureus is a highly successful pathogen capable of producing a wealth of virulence factors in the human host. Of note, ten extracellular proteases are produced alongside these virulence factors and play a multifaceted role during infection. They not only cleave host proteins to promote bacterial invasion, immune evasion and survival, but also control disease progression by modulating the stability of self-derived pathogenic determinants. The importance of the secreted proteases modulating virulence factor stability is evidenced by our groups previous finding that a protease-null strain has a substantially increased infectious capacity in a murine model of sepsis; resulting from the …

Investigating Among-Individual Growth Heterogeneity In Longleaf Pine: Advancing Dendrochronological Approaches, Jamie E. Munn

USF Tampa Graduate Theses and Dissertations

Within a population, individuals frequently differ in the rate at which they grow, and this rate can be impacted by both genetic differences and abiotic factors. Often, dendrochronology is used to elucidate growth trends based on climate or other factors. This dissertation explores new statistical approaches to dendrochronological research.

First, I created a chronology for a population of longleaf pine (Pinus palustris P. Mill.) individuals in a southwest Florida sandhill community. I then used generalized linear mixed models to investigate the effects of fire frequency, year, tree age and size, and elevation on variation in radial growth heterogeneity. I then …

The Adaptations Of The Sulfur-Oxidizing, Gammaproteobacterium "Candidatus Endoriftia Persephone", Endosymbiont Of The Giant Tubeworm Riftia Pachyptila, To Hydrothermal Vent Habitat Heterogeneity, Juliana M. Leonard

USF Tampa Graduate Theses and Dissertations

The siboglinid tubeworm Riftia pachyptila is a dominant member of the deep-sea megafauna where seawater and hydrothermal vent (HTV) effluent interface and mix. It is one of the fastest growing invertebrates on land or in the sea. It does not have a digestive tract (e.g. mouth, gut, or anus), and is completely dependent on its sulfur-oxidizing endosymbiont, the Gammaproteobacterium “Candidatus Endoriftia persephone” for its nutritional requirements. This association was the first and is the most well studied among chemolithoautotrophic symbioses. “Ca. E. persephone” is a chemolithoautotrophic bacterium that oxidizes sulfide as an electron donor for energy, reduces oxygen as a …

A Novel Cytokine Response Modulatory Function Of Mek Inhibitors Mediates Therapeutic Efficacy, Mengyu Xie

USF Tampa Graduate Theses and Dissertations

Despite the recent success of immune-checkpoint blockade therapy for late-stage non-small cell lung cancer (NSCLC), lung cancer is still the leading cause of cancer deaths worldwide. One of the most important characteristics of lung cancer in therapeutic decision-making are the targetable molecules, including EGFR, ALK, BRAF, and MEK. The excitement of immune-checkpoint blockade therapy has triggered concerted efforts that focus on exploring combinations of immune checkpoint therapy with other approved therapeutic regimens aiming at further augmenting positive outcomes and survival. However, the lack of understanding of underlying mechanisms and evidence-based clinical testing has hindered the progress to a cure. Hence, …

Targeting Bacterial Resistance And Cancer Metastasis: A Structure Based Approach, Kyle Galen Kroeck

USF Tampa Graduate Theses and Dissertations

Current research in pharmaceutical development commonly utilizes a profusion of methods in molecular modeling in order to probe intricate biological problems. Many original and promising compounds have been identified and developed by integrating experimental and computational methods. Structural biology utilizes many different research techniques including x-ray crystallography, NMR, and electron microscopy in order to develop molecular models of macromolecules that are of biological interest. Such techniques can be used in conjunction with molecular docking, which utilizes those molecular models in order to target macromolecules of therapeutic interest by computationally analyzing the conformations adopted by ligands upon interaction with a desired …

An Investigation Into The Heterogeneity Of Insect Arylalkylamine N-Acyltransferases, Brian G. O'Flynn

USF Tampa Graduate Theses and Dissertations

Arylalkylamine N-acyltransferases (AANATs) have in recent years been suggested as potential new insecticide targets. These promiscuous enzymes are involved in the N-acylation of biogenic amines to form N-acylamides. Mammalian AANAT is predominantly associated with circadian rhythm regulation, as it catalyzes the formation of N-acetylserotonin, the precursor of melatonin, from serotonin. In insects, this process is a key step in melanism, as well as hardening of the cuticle, removal of biogenic amines, and in the biosynthesis of fatty acid amides. The unique nature of each insect AANAT (iAANAT) isoform characterized indicates that while catalyzing similar reactions, each insect accommodates …

Submesoscale And Mesoscale Eddies In The Florida Straits: Observations From Satellite Ocean Color Measurements, Yingjun Zhang, Chuanmin Hu, Yonggang Liu, Robert H. Weisberg, Vassiliki H. Kourafalou

Marine Science Faculty Publications

Despite their well-recognized importance in driving ocean physics and biology, submesoscale (diameter < Rossby radius of deformation) eddies have been extremely difficult to observe due to technical difficulties from both field and remote platforms. Here using novel satellite ocean color data products and modified algorithms, we address this challenge for the Florida Straits (22–28°N, 78–85°W). Between 2002 and 2018, while mesoscale eddies (radius >15 km) show strong seasonality with occurrence frequency decreasing from Lower Keys to Upper Keys, submesoscale eddies show little or no seasonality with high occurrence frequency restricted to 30–200-m isobaths. The number of mesoscale eddies decreases exponentially in size, but submesoscale eddies show a normal distribution in size. These findings are significant in filling our knowledge gap in submesoscale eddies in this physically and ecologically important region as it encompasses world-renowned coral reefs, seagrasses, and fisheries.

Improving The Integration Of Restoration And Conservation In Marine And Coastal Ecosystems: Lessons From The Deepwater Horizon Disaster, Richard L. Wallace, Gilbert Gilbert, John E. Reynolds Iii

C-IMAGE Publications

In the wake of the Deepwater Horizon disaster, much has been learned about the biological, ecological, physical, and chemical conditions of the Gulf of Mexico. In parallel, the research community has also gained insight about the social and organizational structures and processes necessary for oil spill response and subsequent marine and coastal restoration. However, even with these lessons from both the Deepwater Horizon and previous spills, including 1989’s Exxon Valdez and the Ixtoc 1 in 1979, our understanding of how to avoid future crises has not advanced at the same pace as offshore oil and gas development. We argue that …

Fauna Of The Kemp Caldera And Its Upper Bathyal Hydrothermal Vents (South Sandwich Arc, Antarctica), Katrin Linse, Jonathan T. Copley, Douglas P. Connelly, Robert D. Larter, David A. Pearce, Nick V. C. Polunin, Alex D. Rogers, Chong Chen, Andrew Clarke, Adrian G. Glover, Alastair G. C. Graham, Veerle A. I. Huvenne, Leigh Marsh, William D. K. Reid, C. Nicolai Roterman, Christopher J. Sweeting, Katrin Zwirglmaier, Paul A. Tyler

Marine Science Faculty Publications

Faunal assemblages at hydrothermal vents associated with island-arc volcanism are less well known than those at vents on mid-ocean ridges and back-arc spreading centres. This study characterizes chemosynthetic biotopes at active hydrothermal vents discovered at the Kemp Caldera in the South Sandwich Arc. The caldera hosts sulfur and anhydrite vent chimneys in 1375–1487 m depth, which emit sulfide-rich fluids with temperatures up to 212°C, and the microbial community of water samples in the buoyant plume rising from the vents was dominated by sulfur-oxidizing Gammaproteobacteria. A total of 12 macro- and megafaunal taxa depending on hydrothermal activity were collected in these …

Understanding The Influence Of The Cancer Microenvironment On Metabolism And Metastasis, Shonagh Russell

USF Tampa Graduate Theses and Dissertations

Cancer is a complex and heterogeneous disease. Not only is there considerable variability between different cancer types, but there is enormous variability between and within patients who have the same type of cancer. Within tumors, there are multiple cell types, including cancer cells, stromal cells, and immune cells. The tumor microenvironment often induces the healthy cells to become pro-tumorigenic. Cell metabolism is exquisitely sensitive to changes in the tumor microenvironment and can be measured to infer the aggressiveness of cancer and predict response to therapy. In this dissertation, we aim to understand how the microenvironment, specifically low pH, affects the …

Evaluating The Effect Of Temperature On A Human Parasite And Its Intermediate Snail Host: Implications For A Changing Climate, Karena H. Nguyen

USF Tampa Graduate Theses and Dissertations

Global climate change is impacting the emergence, re-emergence, prevalence, and incidence of infectious diseases worldwide, including parasitic diseases of humans (Blum and Hotez 2018). Neglected tropical diseases, defined as a group of parasitic diseases affecting developing countries in the tropics (Hotez et al. 2007), are of particular concern because these diseases occur in areas that are also expected to experience rapid population growth and agricultural development in the coming decades. As human population and food demand increase, the greater the likelihood of humans encountering intermediate hosts that either inhabit agricultural areas or are impacted by agricultural development, which will influence …

Modeling Of Interaction Of Ions With Ether- And Ester-Linked Phospholipids, Matthew W. Saunders

USF Tampa Graduate Theses and Dissertations

Phospholipids are present in all parts of cells and are used in many signalling and struc- tural roles. As structural molecules they act as the main component of cellular membranes. Bilayer properties are heavily influenced by the structure of their component polar lipids, and different lipids are found in different organisms. A distinguishing feature of Archaeal plasma membranes is that their phospholipids contain ether-links, as opposed to bacterial and eukaryotic plasma membranes where phospholipids primarily contain ester-links. In our work we examine the effects of salt on bilayer structure in the case of both ester- and ether-linked lipid bilayers. We …

Design And Delivery Of Synthetic Mrna By A Peptide Nanoparticle, John H. Lockhart

USF Tampa Graduate Theses and Dissertations

The field of synthetic mRNA therapeutics is a rapidly expanding arm of gene therapies. The use of mRNA provides multiple benefits over viral or DNA vectors. synthetic mRNA vectors are immediately translated into protein after entering the cytoplasm of cells in contrast to DNA vectors that must first be transcribed to mRNA in the nucleus. This allows synthetic mRNA to produce a therapeutic protein in any cell type, including non-dividing cells. In addition, the non-replicative nature of mRNA means that insertional mutagenesis or generation of escape mutants is not a concern. However, the stimulation of innate immune responses by unmodified …

Development And Validation Of Wireless Sensors For Applications To Human Head Angular And Mechanical Motions, Karthick Natesan

USF Tampa Graduate Theses and Dissertations

In this project, we programmed a 9 degree of freedom Razor sensor, which incorporates an accelerometer and gyroscope to measure the head linear and angular motions produced by activities of daily living (ADL). The majority of studies concentrate on linear accelerations, so the purpose of this study is to determine the importance of both linear and angular components of acceleration in everyday activities and find interlinked relation between them. The sensor was validated using another calibrated and validated system. The general size and wireless nature make this sensor very suitable for use with human subjects. After obtaining informed consent, we …

Mechanisms Of Organic Matter Export In Estuaries With Contrasting Carbon Sources, A. R. Arellano, T. S. Bianchi, C. L. Osburn, E. J. D'Sa, N. D. Ward, D. Oviedo-Vargas, I. D. Joshi, D. S. Ko, M. R. Shields, G. Kurian, J. Green

Marine Science Faculty Publications

Modifications in land use and climate will result in shifts in the magnitude and composition of organic matter (OM) transported from wetlands to coastal waters, but differentiation between riverine and wetland OM sources in coastal areas remains a challenge. Here, we evaluate particulate and dissolved OM export dynamics in two representative estuary geomorphologies—Apalachicola Bay (AP) and Barataria Bay (BB), characterized primarily by blackwater river inputs and high particle abundance, respectively. The magnitude and composition of OM exported from each estuary was evaluated based on seasonal measurements of surface water dissolved organic carbon (DOC), particulate organic carbon (POC), particulate nitrogen, the …

Mechanisms Of Organic Matter Export In Estuaries With Contrasting Carbon Sources, A. R. Arellano, T. S. Bianchi, C. L. Osburn, E. J. D'Sa, N. D. Ward, D. Oviedo-Vargas, I. D. Joshi, D. S. Ko, M. R. Shields, G. Kurian, J. Green

Marine Science Faculty Publications

Modifications in land use and climate will result in shifts in the magnitude and composition of organic matter (OM) transported from wetlands to coastal waters, but differentiation between riverine and wetland OM sources in coastal areas remains a challenge. Here, we evaluate particulate and dissolved OM export dynamics in two representative estuary geomorphologies—Apalachicola Bay (AP) and Barataria Bay (BB), characterized primarily by blackwater river inputs and high particle abundance, respectively. The magnitude and composition of OM exported from each estuary was evaluated based on seasonal measurements of surface water dissolved organic carbon (DOC), particulate organic carbon (POC), particulate nitrogen, the …

Hepatic Polycyclic Aromatic Hydrocarbons (Pahs) Concentrations In Red Hind (Epinephelus Guttatus) Collected Aboard Multiple R/V Weatherbird Ii Cruises In The Southern Gulf Of Mexico (Mexico And Cuba) From 2015-09-18 To 2017-05-23, Erin Pulster, Steven A. Murawski

C-IMAGE data

This dataset contains hepatic polycyclic aromatic hydrocarbons (PAHs) concentrations in Red Hind (Epinephelus guttatus) collected aboard R/V Weatherbird II cruises (WB1603, WB1701, WB1731) in the southern Gulf of Mexico (Mexico and Cuba) from 2015-09-18 to 2017-05-23. The dataset includes the location, date, concentrations of various PAHs in liver tissue (ng/g w.w.), and the total or sum of the low and high molecular weight PAHs (ng/g w.w.). PAHs were extracted from homogenized liver tissues using QuEChERS EMR (Agilent Technologies, Bond Elut). Individual PAHs were confirmed and quantified using an Agilent’s 7890B gas chromatograph (GC) coupled to a 7010 tandem mass spectrometer …

Resolving The Dilemma Of Dispersant Use For Deep Oil Spill Response, Steven Murawski, Michael Schlüter, Claire B. Paris-Limouzy, Zachary M. Aman

C-IMAGE Publications

No abstract provided.

Hepatobiliary Analyses Suggest Chronic Pah Exposurein Hakes (Urophycis Spp.) Following The Deepwater Horizon Oil Spill, Rachel Struch, Erin Pulster, Andrea D. Schreier, Steven Murawski

C-IMAGE Publications

Prior to theDeepwater Horizon oil spill, we lacked a comprehensive baseline of oil contamination in the Gulf of Mexico’s sediments, water column, and biota. Gaps in prespill knowledge limit our ability to determine the aftereffects of the Deepwater Horizon blowout or prepare to mitigate similar impacts during future oil spill disasters. We examined spatio temporal differences in exposure to and metabolism of polycyclic aromatic hydrocarbons (PAHs) in 2 hake species (Urophycis spp.)to establish a current baseline for these ecologically important, abundant, and at‐risk demersal fishes. Gulf hake (Urophycis cirrata) and southern hake (Urophycis floridana) were …

Potential Influence Of The Deepwater Horizon Oil Spill On Phytoplankton Primary Productivity In The Northern Gulf Of Mexico, Yao Li, Chuanmin Hu, Antonietta Quigg, Huilin Gao

C-IMAGE Publications

Nine years after the Deepwater Horizon (DwH) oil spill (20 April–15 July 2010), the recovery of primary productivity at the ocean surface remains to be investigated. Here, we used the normalized fluorescence line height (nFLH) from the Moderate Resolution Imaging Spectroradiometer as an indicator of chlorophyll a concentration (Chl a). First, from the spatiotemporal variations of nFLH between 2001 and 2017, a reduction of nFLH after the DwH oil spill was observed (for a relatively long period, from 2011 to 2014). Second, a stepwise multiple regression model was used to examine which of the following environmental factors could explain …

Associations Between Chronic Exposure To Polycyclic Aromatic Hydrocarbons And Health Indices In Gulf Of Mexico Tilefish (Lopholatilus Chamaeleonticeps) Post Deepwater Horizon, Susan M. Syder, Erin Pulster, Steven Murawski

C-IMAGE Publications

A time series of polycyclic aromatic hydrocarbon (PAH) data was collected for Gulf of Mexico demersal fishes in the years following the Deepwater Horizon oil spill (2012–2017). Tilefish (Lopholatilus chamaeleonticeps ) were sampled via demersal longline at repeat stations in the northern Gulf of Mexico in 2012 to 2015 and 2017. Bile samples (n  = 256) were analyzed via high‐performance liquid chromatography with fluorescence detection for PAH metabolites as a biomarker of exposure to PAHs. Liver tissues (n  = 230) were analyzed for accumulation of PAHs and alkylated homologs via quick, easy, cheap, effective, rugged, and safe …

Design And Implementation Of Degenerate Qpcr/Qrt-Pcr Primers To Detect Microbial Nitrogen Metabolism In Wastewater And Wastewater-Related Samples, Ryan F. Keeley

USF Tampa Graduate Theses and Dissertations

Nitrogen cycling processes can be tracked using quantitative Polymerase Chain Reaction (qPCR) to determine the presence and qReverse Transcriptase-PCR (qRT-PCR) to determine expression of key genes, or ‘biological markers’, for nitrogen metabolism. Nitrification is catalyzed in part, by two enzymes: ammonia monooxygenase (AMO; NH3 NH2OH) and nitrite oxidoreductase (NXR; NO2- NO3-). For denitrification, four enzymes act sequentially: nitrate reductase (NAR/NAP; NO3- NO2-), nitrite reductase (NIR; NO2- NO), nitric oxide reductase (NOR; NO  N2O), and nitrous oxide reductase (NOS; N2O  N2). A principle of wastewater treatment (WWT) is to remove excess nitrogen by taking advantage of natural nitrogen cycling …

Are Microclimate Conditions In El Malpais National Monument Caves In New Mexico, Usa Suitable For Pseudogymnoascus Growth?, Terry J. Torres-Cruz, Andrea Porras-Alfaro, Nicole A. Caimi, Ogochukwu Nwabologu, Edward W. Strach, Kaitlyn J.H. Read, Jesse M. Young, Debbie C. Buecher, Diana E. Northup

International Journal of Speleology

White-nose syndrome (WNS) is a bat disease caused by the fungal pathogen Pseudogymnoascus destructans, which thrives in cold and very humid environments where bats frequently hibernate. Conidia of Pseudogymnoascus species are often documented on bats prior to the onset of WNS, but characterization of high-risk areas defined by microclimate cave conditions have been lacking. Investigating the occurrence of this fungal genus and appropriate environmental conditions to support P. destructans in southwestern U.S. caves is key to understanding the sites most likely to be impacted by WNS. Microclimate conditions in ten caves at El Malpais (ELMA) National Monument in New …

Hydrocarbon Concentration Data Collected During A Coastal Survey Conducted In The Bay Of Campeche, Southern Gulf Of Mexico On 2016-08-09, Isabel Romero

C-IMAGE data

On 2016 a coastal survey was conducted in the Bay of Campeche (Mexico) to search for remnants of the Ixtoc-1 spill. This spill occurred on June 3 of 1979 releasing about 3 million barrels of oil during 9.75 months. In the aftermath of the spill (1979-1980), a survey conducted by Texas A&M University-Corpus Christi indicated oil reached and impacted several areas, including mangroves, reefs and rocky beaches. Previous visual surveys and observations from locals confirmed the coastal areas were not impacted by oil before the Ixtoc-1 spill. In 2016, C-IMAGE II researchers conducted a similar survey with the additional goal …