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New Imidazolidindionedioximes And Their Pt(Ii) Complexes: Synthesis And Investigation Of Their Antitumoral Activities On Breast Cancer Cells, Emrah Karahan, Tuğba Gençoğlu Katmerli̇kaya, Emel Önal, Aydan Dağ, Ayşe Gül Gürek, Vefa Ahsen

Turkish Journal of Chemistry

Breast cancer is one of the most common types of cancer worldwide and has the most lethality ratio for females among all cancers. Although current cancer therapeutics have made considerable advancements, there is still room for improvement in terms of efficacy. Many anticancer drugs have a risk of causing serious adverse effects due to their non-specific cytotoxic effects on both tumor and healthy cells. New therapeutics might have a greater ability to kill cancer cells, reduce the volume of tumors, and improve overall therapy response rates. Herein, we report the efficient synthesis and characterization of three amphi vic-dioximes and their …

Synthesis And Characterization Of New Hexahydroquinoline Derivatives, Evaluation Of Their Cytotoxicity, Intracellular Ros Production And Inhibitory Effects On Inflammatory Mediators, Ezgi̇ Pehli̇vanlar, Deni̇z Arca Çakir, Sonia Sanajou, Hülya Tezel Yalçin, Terken Baydar, Pinar Erkekoğlu, Hani̇fe Avci, Rahi̇me Şi̇mşek

Turkish Journal of Chemistry

Inflammation is a response to injury and infection in the organism. It can be categorized as acute and chronic inflammation. Chronic inflammation is the underlying cause of many diseases such as Alzheimer's, diabetes, rheumatoid arthritis, atherosclerosis and cardiovascular diseases. Recent studies have proven the anti-inflammatory properties of 1,4-dihydropyridines (1,4-DHPs) and its derivatives, which have many biological properties including calcium channel blockers. The structures of the synthesized compounds were elucidated by IR, 1H-NMR, 13C-NMR and HRMS methods. The cytotoxic properties of the compounds were determined by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) method in 3T3 cell line. Among the 15 compounds, the three compounds …

Synthesis Of Addressable Libraries: New Lessons And The Need For Proper Characterization For Microelectrode Array-Based Reactions, Albert Huang

Arts & Sciences Graduate Student Theses and Dissertations

The Moeller group has been developing synthetic tools for building molecular libraries on microelectrode arrays since 2004. Such a library is intriguing because one can take advantage of the library for biological signaling studies. Microelectrode arrays can serve as a powerful platform for those experiments since every electrode in the array can be addressed individually. Unique members of the library targeting biological receptors that one is interested in can be restricted only above unique electrodes in an array. Thus, high-affinity ligands for those receptors can be identified with this strategy. To make this method work, one has to make sure …

The Role Of Sensing Modalities In Shaping Collective Motion And Group Behavior, Poorendra P. Ramlall

Doctoral Dissertations and Master's Theses

Collective behavior refers to the coordinated movements that emerge from simple interactions between individuals within a group. Traditionally, researchers have modeled these interactions assuming individuals can sense their surroundings in all directions, like having eyes all around their heads. While this is a useful simplification, it does not capture the diverse ways animals actually sense the world. In this thesis, we take inspiration from the natural world, particularly from animals like bats and dolphins that use a combination of hearing and sight to navigate their environments. We explore how combining these sensory cues in a three-dimensional space affects the way …

Advances In Stereoselective Glycosylation: Electron-Withdrawing Groups, Benzyne-Mediated Stereoinversion, And Visible-Light Photochemistry For 1,2-Cis O-Glycosylation, Erik Giovanni Alvarez Valenzuela

LSU Doctoral Dissertations

The symbiotic relationship between humans and their microbiota is essential for health, with imbalances in the complex microbiota ecosystem linked to a variety of disorders ranging from neurodegenerative to gastrointestinal diseases. Bacteria within the human microbiota, comprising over 1000 known species, are densely and diversely coated with oligosaccharides crucial for functions like cell recognition, communication, signaling, adhesion, proliferation, and pathogenic inhibition. However, studying the structure-activity relationships of these sugars which are also secreted by bacteria is challenging due to difficulties in obtaining homogenous samples from natural sources.

Chemical synthesis offers a solution by enabling the production of well-defined oligosaccharides in …

Antiviral And Cytotoxic Activities And Chemical Profiles Of Two Species Of Abies Nordmanniana From Türkiye, Nazli Sarikahya, Gaye Sümer Okkali, Furkan Ozan Çöven, Sevda Zeinali̇, Gülce Gucur, Ayşe Di̇la Çağlar, Ece Uyar, Ahmet Ceyhan Gören, Ayşe Nalbantsoy

Turkish Journal of Chemistry

Abies is an important genus of the family Pinaceae, with about 50 species found in the highlands of Asia, Europe, North Africa, and North and Central America. The principal aim of the present work was to investigate the chemical content and biological potential of the resin and cone from Abies nordmanniana subsp. bornmulleriana and Abies nordmanniana subsp. equi-trojani, respectively. The flavonoid and phenolic contents of the resin and cones were evaluated using liquid chromatography-high resolution mass spectrometry (LC-HRMS). Additionally, the essential oil and fatty acid compositions were analyzed using gas chromatography-mass spectrometry (GC-MS) and gas chromatography-flame ionization detector (GC-FID).. Cytotoxicity …

(R2070) Poisson-Exponentiated Weibull Distribution: Properties, Applications And Extension, Alphonsa George, Dais George

Applications and Applied Mathematics: An International Journal (AAM)

In this article, we introduce a new member of the Poisson-X family namely, the Poisson-exponentiated Weibull distribution. The statistical as well as the distributional properties of the new distribution are studied, and the performance of the maximum likelihood method of estimation is verified by a simulation study. The flexibility of the distribution is illustrated by a real data set. We develop and study a reliability test plan for the acceptance or rejection of a lot of products submitted for inspection when their lifetimes follow the new distribution. A real data example is also given to illustrate the feasibility of the …

Molecular-Level Studies Of Nanopatterned Biomolecules With Atomic Force Microscopy, Ashley R. Walker

LSU Doctoral Dissertations

Atomic force microscopy (AFM) is an analytical technique in which a tipped probe is gently scanned across the surface in a raster pattern to generate digital images of a sample at the nanoscale. The AFM instrument has three general operational modes, which are contact, non-contact and tapping-mode, that can be used to examine materials at the atomic level. Single-molecular details of biological molecules and other soft organic materials can be captured with minimal denaturation in either ambient or liquid environments when using tapping-mode AFM. In tapping-mode, the probe is driven to oscillate vertically while the tip is scanned across the …

Biotinylated Protein Capture And Tween-20 Assisted Exosome Isolations Via Capillary Chanelled Polymer Fiber, Md Khalid Bin Islam

All Theses

In the past two decades, Marcus and colleagues have led the advancement of capillary-channeled polymer (C-CP) fiber stationary phases for biomacromolecule separations, including proteins and nanovesicles. These stationary phases offer notable advantages, including low cost ($5/column), straightforward column fabrication, and the capacity for on-column surface modification, enabling high chemical selectivity. This study examines a C-CP fiber modification strategy for capturing target proteins and develops a Tween-20-assisted C-CP-based hydrophobic interaction chromatography (HIC) method for the isolation and quantification of exosomes from human urine.

The quest for higher-throughput and cost-effective protein isolation techniques remains a key focus in a variety of end …

Fluorescence Microscopy With Deep Uv, Near Uv, And Visible Excitation For In Situ Detection Of Microorganisms, Noel Case, Nikki Johnston, Jay Nadeau

Physics Faculty Publications and Presentations

We report a simple, inexpensive design of a fluorescence microscope with light-emitting diode (LED) excitation for detection of labeled and unlabeled microorganisms in mineral substrates. The use of deep UV (DUV) excitation with visible emission requires no specialized optics or slides and can be implemented easily and inexpensively using an oblique illumination geometry. DUV excitation (<280 >nm) is preferable to near UV (365 nm) for avoidance of mineral autofluorescence. When excited with DUV, unpigmented bacteria show two emission peaks: one in the near UV ∼320 nm, corresponding to proteins, and another peak in the blue to green range, corresponding to …

Label-Aware Distance Mitigates Temporal And Spatial Variability For Clustering And Visualization Of Single-Cell Gene Expression Data, Shaoheng Liang, Jinzhuang Dou, Ramiz Iqbal, Ken Chen

Faculty, Staff and Student Publications

Clustering and visualization are essential parts of single-cell gene expression data analysis. The Euclidean distance used in most distance-based methods is not optimal. The batch effect, i.e., the variability among samples gathered from different times, tissues, and patients, introduces large between-group distance and obscures the true identities of cells. To solve this problem, we introduce Label-Aware Distance (LAD), a metric using temporal/spatial locality of the batch effect to control for such factors. We validate LAD on simulated data as well as apply it to a mouse retina development dataset and a lung dataset. We also found the utility of our …

Studies Of Oxidopyrylium Ylide Dimers And Their Utility In The Synthesis Of Densely Functionalized Troponoids, Daniel V. Schiavone

Dissertations, Theses, and Capstone Projects

Herein, we describe our efforts to investigate mechanistic considerations of oxidopyrylium ylides and their use in cycloadditions to form complex bicyclic structures and the advancement of these cycloadducts to the synthesis of densely functionalized tropolones. This work also describes applications of tropolones as biologically relevant structures and dynamic fluorophores.

In Chapter 1, we expand upon previous studies done in the Murelli Lab describing the ability of 3-hydroxy-4-pyrone derived oxidopyrylium dimers to revert back to ylides in situ and as result can be used as a clean oxidopyrylium ylide source in accessing oxabicyclic compounds. Intermolecular cycloadditions of these ylides can be …

Weakened Pelagic-Benthic Coupling On An Arctic Outflow Shelf (Northeast Greenland) Suggested By Benthic Ecosystem Changes, Yasemin V. Bodur, Paul E. Renaud, Lidia Lins, Luana Da Costa Monteiro, William G. Ambrose, Janine Felden, Thomas Krumpen, Frank Wenzhöfer, Maria Włodarska-Kowalczuk, Ulrike Braeckman

Marine Science

Arctic marine ecosystems are becoming more boreal due to climate change. Predictions of ecosystem change focus mainly on Arctic inflow or interior shelves, with few comprehensive studies on Arctic outflow regions. During September–October 2017, soft-bottom communities were sampled and benthic ecosystem processes were quantified at 12 stations on the Northeast Greenland shelf (outflow shelf) and compared to the last regional ecosystem study, conducted in 1992 and 1993. The benthic habitat was characterized in terms of sediment granulometry, pigment concentrations, and porewater chemistry (dissolved inorganic carbon, nutrients). Total abundance and biomass of macrobenthos and meiobenthos, bacterial abundance, porewater dissolved inorganic carbon …

Development Of Microfluidic Thermal Gel Electrophoresis For Biological Analysis, Mario Ambrocio Cornejo

Wayne State University Dissertations

ABSTRACTDEVELOPMENT OF MICROFLUIDIC THERMAL GEL ELECTROPHORESIS FOR BIOLOGICAL ANALYSIS by MARIO AMBROCIO CORNEJO May 2024 Advisor: Dr. Thomas H. Linz Major: Chemistry (Analytical Chemistry) Degree: Doctor of Philosophy The molecular biology that takes place within cells is vital to the over function of an organism. Healthy cellular function is crucial to a wide web of interconnected processes that need to be balanced and regulated. When these processes become abnormal, disease states are developed. The mapping of biological networks has led to the development of gene therapy and more accurate diagnostic tests. However, there are still vital biomolecules that due to …

Design And Synthesis Of Aminoglycoside-Based Heparan Sulfate Mimetics For Structure-Activity Relationship Studies Of Heparan-Binding Proteins, Joseph Wakpal

Wayne State University Dissertations

Cancer remains a formidable challenge in modern medicine, demanding innovative approaches and treatments. Among the emerging strategies, inhibiting heparanase and fibroblast growth factor 2 (FGF2) has garnered considerable attention in recent years. This dissertation presents a novel approach to designing and synthesizing a diverse library of heparan sulfate (HS) mimetics derived from aminoglycosides to study their binding to two heparin-binding proteins involved in cancer development and metastasis. Heparanase cleaves HS polysaccharide chains in the extracellular matrix (ECM) and is a regulator of aggressive tumor behavior. Clinical studies have illustrated that aberrant heparanase expression correlates with increased tumor size, amplified tumor …

Optimal Control Frameworks For A Class Of Epidemiological And Oncological Models, Asma Ali H Alghamdi

Mathematics Dissertations - Archive

In this thesis, we employ optimal control frameworks in two distinct contexts: Human immunodeficiency virus (HIV) and esophageal cancer. For HIV, we introduce a comprehensive data-driven nonlinear optimization framework designed for personalized therapies. This framework utilizes a deterministic in-host nonlinear ordinary differential equation (ODE) model and formulates two optimization problems using individual patient data. The first problem focuses on estimating patient-specific parameters through constrained optimization, while the second problem determines optimal combination therapies to reduce viral load to undetectable levels. Several numerical experiments suggest that our framework can provide a robust and effective optimal dosages with lower toxicity levels to …

Machine Learning Algorithms To Study Multi-Modal Data For Computational Biology, Khandakar Tanvir Ahmed

Graduate Thesis and Dissertation 2023-2024

Advancements in high-throughput technologies have led to an exponential increase in the generation of multi-modal data in computational biology. These datasets, comprising diverse biological measurements such as genomics, transcriptomics, proteomics, metabolomics, and imaging data, offer a comprehensive view of biological systems at various levels of complexity. However, integrating and analyzing such heterogeneous data present significant challenges due to differences in data modalities, scales, and noise levels. Another challenge for multi-modal analysis is the complex interaction network that the modalities share. Understanding the intricate interplay between different biological modalities is essential for unraveling the underlying mechanisms of complex biological processes, including …

Next-Generation Alpha Irradiation Platform: Design, Development, And Applications In Radiobiological Research, Harsh Arya

Physics Dissertations - Archive

This dissertation unveils the innovative design, development, and application of a next-generation alpha irradiation platform, specifically crafted for pre-clinical and university-level radiobiological research. Driven by the quest to overcome the inherent limitations of existing alpha particle irradiators, this study explores the profound therapeutic potential of alpha particles in cancer treatment. Known for their exceptional high linear energy transfer (LET), alpha particles exhibit a unique prowess in inducing clustered DNA damage, sparking intriguing possibilities for highly targeted cancer therapies. Yet, their application has been historically constrained by their limited range of biological tissues and the absence of precise delivery systems.

Our …

Development Of Small Ligands Targeting Pathogenic Rna Repeats In Neurodegenerative Diseases, Zhihua Chang

Legacy Theses & Dissertations (2009 - 2024)

Pathogenic microsatellite RNA expansions are toxic and can cause neuronal degeneration and dysfunction. Therapeutics that eliminate or neutralize these RNA repeats hold great promise for the treatment of many neurodegenerative diseases because they are uniformly fatal but there is no effective treatment available today. New compounds targeting these pathogenic RNA repeat sequences represent new hope to treat these diseases. The overall goal of my dissertation is to develop a high-throughput screening assay to identify small ligands as potential drug candidates against disease-associated RNA repeats and probe binding mechanisms to guide the design of optimized drug candidates, and eventually validate therapeutic …

Advanced Mathematical Graph-Based Machine Learning And Deep Learning Models For Drug Design, Farjana Tasnim Mukta

Theses and Dissertations--Mathematics

Drug discovery is a highly complicated and time-consuming process. One of the main challenges in drug development is predicting whether a drug-like molecule will interact with a specific target protein. This prediction accelerates target validation and drug development. Recent research in biomolecular sciences has shown significant interest in algebraic graph-based models for representing molecular complexes and predicting drug-target binding affinity. In this thesis, we present algebraic graph-based molecular representations to create data-driven scoring functions (SF) using extended atom types to capture wide-range interactions between targets and drug candidates. Our model employs multiscale weighted colored subgraphs for the protein-ligand complex, colored …

Geographical Variation In Songs Of Bachman’S Sparrow (Peucaea Aestivalis), L. Nguyen, K. Doñas, J. Jackson, R. Kannan

Journal of the Arkansas Academy of Science

We present an analysis of geographic variation in primary song components of the Near Threatened North American endemic, Bachman’s Sparrow (Peucaea aestivalis). These songs have 2 distinct portions: an introductory tweet we call the "whistle" and a more complex second portion that we call the "trill". We analyzed 327 songs from 111 recordings downloaded from eBird.org from the entire current range of the species. We grouped the recordings into 3 distinct geographic clusters, East, Central, and West. The data measured from spectrograms suggest a significant statistical difference among groups for 3 measured characteristics: frequency range of trill, number of horizontal …

A Class Of Game-Theoretic And Fokker-Planck Optimal Control Frameworks In Colon And Esophageal Cancer, Mesfer Alajmi Phd

Mathematics Dissertations - Archive

In this dissertation, we first present a new stochastic framework for parameter estimation and uncertainty quantification in colon cancer-induced immune responses. A stochastic process that captures the system's inherent randomness determines the dynamics of colon cancer. The stochastic framework is based on the Fokker-Planck equation, which represents the evolution of the probability density function corresponding to the stochastic process. We formulate an optimization problem that takes individual patient data with randomness present and solves it to obtain the unknown parameters corresponding to the individual tumor characteristics. Furthermore, we perform a sensitivity analysis of the optimal parameter set to identify the …

Identifying Nutrient Dynamics And Relative Groundwater Contribution In Wetlands At Fish Lake Environmental Center, Lapeer Mi, Rose Allen

Senior Honors Theses and Projects

Wetlands are complex ecosystems that are dependent on hydrologic processes and water chemistry. Understanding the role that water chemistry and nutrients play in wetland ecosystems is crucial to wetland management and restoration. The Fish Lake Environmental Education Center near Lapeer Michigan, is glacially influenced, and contains a large bog. Between the bog and lake there are multiple kettles that contain ephemeral wetlands in the spring. Bogs are primarily precipitation sourced, whereas the kettle wetlands may be a combination of precipitation and groundwater sourced. Previous studies indicated that groundwater flow direction is towards Fish Lake, but it was unclear to what …

Functionalized 1,4-Naphthoquinone-Annulated N-Heterocyclic Carbenes For Biomedical Applications, Dilsha Samanali Wickramasinghe

Browse all Theses and Dissertations

Gold has long been recognized for its medicinal applications, dating back centuries. The use of N-heterocyclic carbenes (NHCs), stable, tunable ligands, has revolutionized the development of metal complexes, particularly those involving gold. Among these, Au-NHC complexes have shown significant promise in treating various diseases, especially arthritis and cancer. More recently, our research has focused on synthesizing dual-targeting naphthoquinone-annulated NHC-based gold(I) complexes, which have demonstrated impressive therapeutic potential in cancer treatment. This emphasizes the growing importance of gold-based complexes in developing more selective and effective cancer therapies. By strategically tuning the electronic and steric properties of these complexes, we have explored …

Advanced Techniques In Time Series Forecasting: From Deterministic Models To Deep Learning, Xue Bai

Graduate Theses, Dissertations, and Problem Reports (ETD)

This dissertation discusses three instances of temporal prediction, applied to population dynamics and deep learning.

In population modeling, dynamic processes are frequently represented by systems of differential equations, allowing for the analysis of various phenomena. The first application explores modeling cloned hematopoiesis in chronic myeloid leukemia (CML) via a nonlinear system of differential equations. By tracking the evolution of different cell compartments, including cycling and quiescent stem cells, progenitor cells, differentiated cells, and terminally differentiated cells, the model captures the transition from normal hematopoiesis to the chronic and accelerated-acute phases of CML. Three distinct non-zero steady states are identified, representing …

Conformational Investigation Of Biopolymers Through Molecular Dynamics (Md) Simulations And In-Droplet Hdx-Ms Utilizing Cvssi, Samira Hajian Foroushani

Graduate Theses, Dissertations, and Problem Reports (ETD)

Over the last two decades, mass spectrometry (MS) has received significant interest in biological study platforms, especially in the areas of proteomics and metabolomics. With the development of soft ionization methods like electrospray ionization (ESI), mass spectrometry has emerged as a potent method for directly characterizing proteins in their native state. The recent invention of capillary vibrating sharp-edge spray ionization has opened new avenues for the study of biopolymer native structure including the usage of droplet charge tuning and in-droplet hydrogen-deuterium exchange (HDX) labeling. With this new technique comes the opportunity to study biopolymer ion structure preservation with molecular dynamics …

The Combined Focal Loss And Dice Loss Function Improves The Segmentation Of Beta-Sheets In Medium-Resolution Cryo-Electron-Microscopy Density Maps, Yongcheng Mu, Thu Nguyen, Bryan Hawickhorst, Willy Wriggers, Jiangwen Sun, Jing He

Computer Science Faculty Publications

Although multiple neural networks have been proposed for detecting secondary structures from medium-resolution (5–10 Å) cryo-electron microscopy (cryo-EM) maps, the loss functions used in the existing deep learning networks are primarily based on cross-entropy loss, which is known to be sensitive to class imbalances. To monitor and tune the performance of various loss functions for the secondary structure detection problem, we investigated five loss functions: cross-entropy, Focal loss, Dice loss, and two combined loss functions. Using a U-Net architecture in our DeepSSETracer method and a dataset composed of 1,355 box-cropped atomic-structure/density-map pairs, we found that a newly designed loss function …

Trends And Patterns Of Plant Conservation Research In Borneo: A Review, Rizmoon Nurul Zulkarnaen, Sabri Mohd. Ali, Daniele Cicuzza

ASEAN Journal on Science and Technology for Development

Borneo hosts exceptional plant diversity, including numerous endemic species, but faces significant threats from rapid habitat loss driven by deforestation and land-use changes. This study aimed to analyze research trends and forecast future directions through a bibliometric analysis of Scopus data spanning from 1914 to 2023. The bibliometric analysis included publication outputs, citation patterns, thematic mapping, and keyword co-occurrence. We used VOSviewer to visualize bibliometric networks and the Bibliometrix package in R to perform advanced bibliometric analysis and interactive data exploration. The analysis revealed a continuous rise in publications (998 documents), with the Journal of Ecology identified as the most …

Natural Selection On Feralization Genes Contributed To The Invasive Spread Of Wild Pigs Throughout The United States, Niek W. G. Barmentlo, Patrick G. Meirmans, William H. Stiver, Joseph G. Yarkovich, Blake E. Mccann, Antoinette J. Piaggio, Dominic Wright, Timothy J. Smyser, Mirte Bosse

United States Department of Agriculture Wildlife Services: Staff Publications

Despite a long presence in the contiguous United States (US), the distribution of invasive wild pigs (Sus scrofa × domesticus) has expanded rapidly since the 1980s, suggesting a more recent evolutionary shift towards greater invasiveness. Contemporary populations of wild pigs represent exoferal hybrid descendants of domestic pigs and European wild boar, with such hybridization expected to enrich genetic diversity and increase the adaptive potential of populations. Our objective was to characterize how genetic enrichment through hybridization increases the invasiveness of populations by identifying signals of selection and the ancestral origins of selected loci. Our study focused on invasive …

Binding Affinity, Selectivity, And Pharmacokinetics Of The Oxytocin Receptor Antagonist L-368,899 In The Coyote (Canis Latrans), Sara M. Freeman, J. Leon Catrow, James Eric Cox, Alexandra Turano, Mckenna A. Rich, Hillary P. Ihrig, Naveena Poudyal, Cheng-Wei Tom Chang, Eric M. Gese, Julie K. Young, Aaron L. Olsen

United States Department of Agriculture Wildlife Services: Staff Publications

L-368,899 is a selective small-molecule oxytocin receptor (OXTR) antagonist originally developed in the 1990s to prevent preterm labor. Although its utility for that purpose was limited, L-368,899 is now one of the most commonly used drugs in animal research for the selective blockade of neural OXTR after peripheral delivery. A growing number of rodent and primate studies have used L-368,899 to evaluate whether certain behaviors are oxytocin dependent. These studies have improved our understanding of oxytocin’s function in the brains of rodents and monkeys, but very little work has been done in other mammals, and only a single paper in …