Bioinformatics Commons^™

Incorporating Solvation Thermodynamic Mapping In Computer-Aided Drug Design, Yeonji Ji

Dissertations, Theses, and Capstone Projects

Advancements in computational techniques have revolutionized structure-based drug design, substantially improving the efficiency and effectiveness of the drug discovery process by reducing time, costs, and labor requirements. These advancements include various methods, such as investigating small molecule ligands binding to proteins, exploring alternative protein conformations, and solvation mapping on the protein surfaces. Among these methods, understanding the correlation between protein-ligand binding and the role of solvation is important.

A fundamental concept in protein-ligand binding is shape and electrostatic complementarity, which is complicated by the inherent flexibility of proteins. In the absence of small molecule ligands, proteins are complementary to surface …

Exploring The Dark Matter Of Proteomics, Armin G. Geiger

Doctoral Dissertations

Proteomics, particularly mass spectrometry (MS)-based proteomics, has become an essential tool in understanding biological complexity and function at the molecular level. However, a significant fraction of spectral data generated in these studies, often referred to as the "Dark Matter of Proteomics'', remains unexplored and unidentified, concealing potentially vital biological insights. This dissertation addresses the challenge of uncovering this dark matter through the innovative use of computational techniques to enhance peptide identification and quantification in Kalanchoë fedtschenkoi, a model organism for Crassulacean Acid Metabolism (CAM).

The research employs a quantification-centered approach to MS data analysis, leveraging both MS1 and MS2 …

Assessment Of Enzyme Stability In Subsurface Sediments By Computational Methods, Kambiz Kalhor

Masters Theses

The microorganisms found in marine subseafloor sediment play a vital role in global carbon and nitrogen cycles, with an estimated 2.9×10²⁹ cells, accounting for about 0.6% of Earth’s total living biomass. These microbes grow at a very slow rate, with carbon turnover occurring over the course of years to thousands of years, about six orders of magnitude slower than sulfate reducing bacteria in pure culture. These slow metabolic rates suggest that the enzymes they produce must also have extended lifespans in order to be effective over such long periods of time. As a result, these enzymes are likely to …

Assessment Of Genetic Diversity Of The Invasive Callery Pear, Pyrus Calleryana Decne. Using Mitochondrial Microsatellites And Its Molecular Detection Using Lamp, Alina Pokhrel

Masters Theses

Pyrus calleryana Decne. (Callery pear; [PC]) is a popular ornamental tree in the urbanized areas of the United States of America (US), owing to its aesthetical value, with showy white blossoms in early spring and vibrant fall foliage. The tree native to Asia is now becoming one of the most problematic invasive tree species in the eastern US. From its introduction in the early 20^th century, PC has been commercially used as rootstocks for propagating fruiting pears, alongside other closely related pear species. Several states are restricting the sale of rootstocks to limit the ongoing spread of PC. As …

Investigation Of The Microbiome Of A Recirculating Aquaculture System (Ras) For Crassostrea Virginica Larvae, Isabelle Townsend

Master's Theses

Recirculating Aquaculture Systems (RAS) offer control over physicochemical and biological factors impacting aquaculture success. One understudied facet of RASs is the water microbiome. Oyster larval microbiomes are shaped by their aquatic microbiomes. Understanding the dynamics of and the factors shaping RAS microbiome may provide insights to how the microbiome can be a tool for optimizing larval production. This study’s goals were to investigate the microbiome stability of a RAS rearing oyster larvae across time and space, determine impacts of larval presence on the microbiome, and examine connections between larvae production outcomes and microbiome stability. Water samples were collected weekly from …

Omani Camels From A Cultural And Genomics Perspective, Al Muatasim Al Zadjali

Electronic Theses and Dissertations

The Dromedarian camel, Camelus dromedarius, is native to the Arabian Peninsula, including the Sultanate of Oman. These camels are used for food, milk, as well as show and racing competitions. Despite their economic and cultural importance research on camels in Oman is limited. The goal of this study was to examine their genomic variation, relationship with camels in other parts of the Arabian Peninsula, and to determine if selective breeding has led to the establishment of distinct breeds in Oman. Information was compiled from multiple sources to produce a comprehensive review on the breeding, management, economic and cultural use, …

Interactions Between Black Soldier Fly Larvae (Hermetia Illucens) And Pathogenic Bacteria In Culled Potato Waste, Matthew A. Moyet

Electronic Theses and Dissertations

The focus of this dissertation is to investigate the feasibility and safety of rearing black soldier fly larvae (Hermetia illucens) on culled potato waste in the presence of pathogens. World food and feed supplies remain insufficient while the demand for alternative protein sources is steadily increasing. Recycling organic waste into ingredients of animal feeds using black soldier larvae, which are omnivorous saprotrophs native to North America, is a rapidly emerging technology that shows great promise for creating circular agricultural systems. To optimize this technology on an industrial scale, assessment of rearing conditions on different feeding substrates and the …

A Phylogenetic Analysis Of The Population Dynamics Of A Captive Colony Of Diploptera Punctata., Nick Peterson

Theses/Capstones/Creative Projects

The unique milk production of Diploptera punctata makes this species a promising model species in entomology for studying the evolution of milk production and for insect endocrinology. Despite this, the genetic diversity of captive populations of the species is not well studied. To better evaluate the captive diversity and population dynamics of Diploptera punctata at UNO we extracted the DNA of 20 random individuals and amplified their DNA using 4 different primers before cleaning the amplified products and sequencing the genes of the samples for use in both individual and concatenated phylogenetic trees. Our results indicate the UNO colony of …

Computational Study Of Confined Cytoskeletal Assemblies: Simple Rules, Complex Behavior, Oghosa Honor Akenuwa

Doctoral Dissertations

The actin cytoskeleton is crucial for cellular processes and proper organization in cells. Physical regulators like actin crosslinking proteins, molecular motors, and physical confinement significantly impact the organization of the actin cytoskeleton. Despite advances, much remains unknown about how these physical regulators affect actin organization. In this thesis, we employ coarse-grained computer simulations to investigate the effect of physical regulators on the dynamics and organization of semiflexible actin filaments. First, we explore the role of crosslinker properties and confinement shape on actin organization by varying the system shape, the number and type of crosslinking proteins, and the length of filaments. …

Remodeling Anaplastic Thyroid Cancer's Aggressive Profile And Metabolic Signature By Natural Alkaloid Berberine, Tara Elizabeth Jarboe

NYMC Student Theses and Dissertations

Anaplastic thyroid cancer is a rare, fatal cancer with a five-year survival of 4%. Universally diagnosed at stage IV, anaplastic thyroid cancer is characterized by its lack of differentiation, rapid proliferative rate, highly inflammatory tumor microenvironment, and metabolic dysregulation. Refractory to all established therapies, anaplastic thyroid cancer requires a novel therapeutic approach that targets all of these drivers of anaplastic thyroid cancer carcinogenesis. We propose natural alkaloid berberine as a therapeutic with multitarget efficacy to alter mitochondrial metabolism and reprogram anaplastic thyroid cancer’s aggressive phenotype. Our in vitro model uses monocyte cell line U937, anaplastic thyroid cancer cell lines T238 …

Protein-Protein Interactions In Cell Cycle Proteins: An In Silico Investigation Of Two Important Players, Andriele Eichner

Dissertations, Theses, and Capstone Projects

The examination of the cell cycle carries significant implications for the biology, health, and overall existence of all living things. These implications span from the development and growth of these organisms to the aging process and cancer, as well as the potential of stem cell therapies to repair diseases and injuries. Numerous proteins of the cell cycle are essential for cellular division and proliferation and are widely conserved over the course of evolution. In this work, we aimed to investigate the molecular processes of protein-protein interactions in cell cycle proteins, centering on two key players: Cdc6 in budding yeast and …

Elastin-Like Polypeptide As A Model To Study Intrinsically Disordered Proteins, Sadegh Majdi

Theses and Dissertations

The elastin-like polypeptide (ELP) is a well-studied structural protein that is easily amenable to amino acid (AA) sequence modifications and has the potential to yield a wide variety of uses in bioengineering and biomedical applications. One unique property of ELP is the inclusion of intrinsically disordered domains (IDP) within the structure that allow for its diversity of physical properties. While it is generally understood that amino acid sequence dictates protein folding arrangements, the contributions of specific amino acid sequences to the intrinsic disorder of ELP has yet to be fully resolved. Therefore, identifying the contributions of specific amino acid sequences …

Exploring 3d Genome Interaction And Epigenetic Regulation Via Swi/Snf Complex And Deep Learning Models, Ruoyun Wang

Dartmouth College Ph.D Dissertations

The three-dimensional organization of the genome is fundamental in regulating gene expression and maintaining cellular function. This organization's complexities, influenced by epigenetic marks and chromatin remodeling complexes, are crucial for understanding genomic regulation. Among these, the SWI/SNF complexes are key, facilitating chromatin accessibility and regulating gene activity across cell types. The first part of my dissertation focuses on SWI/SNF complexes, exploring their role in chromatin remodeling and their impact on 3D genome architecture. Utilizing next-generation sequencing (NGS) techniques, this section investigates the interplay between these complexes and chromatin structure. During my research on the SWI/SNF complex, I was intrigued by …

Compliance And Roughness In Relation To Gecko Locomotion, Brooklynn Campbell

Williams Honors College, Honors Research Projects

Geckos move efficiently through a variety of substrates, from swaying branches to wooden fences to the sides of structures. Previous studies have studied locomotion and adhesion on manmade and rough substrates; however, the work is limited when discussing locomotion and adhesion as a relationship of compliance and roughness. Ease of movement was quantified by speed, under the assumption that the faster a gecko moves, the easier it is for the gecko to cross the substrate. Gehyra oceanica geckos from Moorea, French Polynesia were tested on substrates varying in compliance and roughness with four different treatments in total. Compliance, roughness, and …

Practical Challenges In Delivering Dsrna For Woody Plant Protection, Zachary Bragg

Theses and Dissertations--Entomology

Unprecedented weather events associated with climate change, coupled with extensive anthropogenic stresses, have reduced the effectiveness of traditional forest pest management approaches, which can no longer keep pace with invasive species overwhelming naïve landscapes and native pests experiencing eruptive and expansive outbreaks. Double-stranded RNA-(dsRNA) mediated gene silencing, a type of RNA interference (RNAi), has been coopted for use as a biopesticide against a multitude of agricultural and horticultural pests and could serve as a powerful tool for woody plant protection. While effective initiation of gene silencing and subsequent mortality have been demonstrated in multiple tree pests, effective and efficient methods …