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Articles 151 - 164 of 164
Full-Text Articles in Organic Chemistry
Development Of A Chemical Biology Approach To Uncover The Influence Of Sequence Variations On Ces1 Activity In Live Cells, Samuel James Knebel
Development Of A Chemical Biology Approach To Uncover The Influence Of Sequence Variations On Ces1 Activity In Live Cells, Samuel James Knebel
Masters Theses
Drug metabolism is the biochemical process of modifying drugs to detoxify and remove them through enzymatic transformations. These biotransformation’s occur primarily in the liver and are critical to understanding how pharmaceutical compounds are chemically altered inside the human body. Human carboxylesterases (CESs) catalyze the hydrolysis of esters, amides, thioesters, and carbamates. CES-mediated hydrolysis plays an important role in the metabolism of many drugs including the first FDA approved antiviral treatment for COVID-19, remdesivir (Veklury), the seizure control medication rufinamide (Banzel), and the flu antiviral drug oseltamivir (Tamiflu). CES activity is known to be influenced by a variety of factors including …
Exploring The Role Of Ring Annulation In Polycyclic Aromatic Hydrocarbons For Organic Electronic Applications, Tanner Smith
Exploring The Role Of Ring Annulation In Polycyclic Aromatic Hydrocarbons For Organic Electronic Applications, Tanner Smith
Theses and Dissertations--Chemistry
Organic materials offer promising potential for the next generation of electronic devices, as their tunability, processability, and low-temperature manufacturing make them a cheap and versatile alternative to traditional silicon-based electronics. The ability to systematically alter the electronic properties of organic materials is vital for their incorporation into device applications. Polycyclic aromatic hydrocarbons (PAHs) are of significant interest for organic electronic applications, as relevant properties are highly dependent on their size, structure, and functionalities, and thus can be tuned to fit a wide variety of applications. Due to the enormous number of structural isomers available in larger PAHs, the development of …
Design And Synthesis Of Acetyl Coa Synthetase-1 Inhibitors, Theodore Cormac Jones
Design And Synthesis Of Acetyl Coa Synthetase-1 Inhibitors, Theodore Cormac Jones
Graduate Research Theses & Dissertations
Pathogenic fungi pose a severe threat to patients in developing countries. Although these fungi claim the lives of millions every year, modern healthcare is sorely lacking in ways to control them. This work will explore the development and synthesis of four series of compounds with potential antifungal activity via inhibition of ACS1. The first is based on a thienopyrimidine moiety and was discovered in a screen of compounds from the Hagen Group’s in-house compound library. Analogs in this series demonstrated some degree of improvement in activity over the lead compound, but they were held back by solubility issues and poor …
The Effect Of Metalation On Antimicrobial Piscidins Imbedded In Normal And Oxidized Lipid Bilayers, Ana Dreab, Craig A. Bayse
The Effect Of Metalation On Antimicrobial Piscidins Imbedded In Normal And Oxidized Lipid Bilayers, Ana Dreab, Craig A. Bayse
Chemistry & Biochemistry Faculty Publications
Metalation of the N-terminal Amino Terminal Cu(II)- and Ni(II)-binding (ATCUN) motif may enhance the antimicrobial properties of piscidins. Molecular dynamics simulations of free and nickelated piscidins 1 and 3 (P1 and P3) were performed in 3 : 1 POPC/POPG and 2.6 : 1 : 0.4 POPC/POPG/aldo-PC bilayers (POPC, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine: POPG, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol; aldo-PC, 1-palmitoyl-2-(9′-oxo-nonanoyl)-sn-glycero-3-phosphocholine) bilayer models. Nickel(II) binding decreases the conformation dynamics of the ATCUN motif and lowers the charge of the N-terminus to allow it to embed deeper in the bilayer without significantly changing the overall depth due to interactions of the charged half-helix …
Investigation Of Additives And Ingredients Of Bio-Resin For Visible Wavelength Laser-Induced Polymerization, Patrick Riggs
Investigation Of Additives And Ingredients Of Bio-Resin For Visible Wavelength Laser-Induced Polymerization, Patrick Riggs
College of Graduate Studies: Theses & Dissertations
Optical 3D printing is a branch of Additive manufacturing (AM) that utilizes low-waste production leading to efficient and rapid prototyping. Currently, this method of AM is associated with mainly petroleum-based resins. Bio-resin polymerization is an emerging research area for finding replacements for petroleum-based resins, but curing the resin with laser energy is not normally a practical use case. Current optical 3D printing uses lasers to cure liquid resins to form solid 3D objects in a layer-by-layer process which is time consuming, defect prone, and a leading limiting factor for high volume production; so, finding a way to incorporate bio-resin into …
Design And Synthesis Of Novel Antibiotics And Anticancer Agents Targeting Pharmaceutically Relevant Enzymes, Sebastian Flieger
Design And Synthesis Of Novel Antibiotics And Anticancer Agents Targeting Pharmaceutically Relevant Enzymes, Sebastian Flieger
Dissertations
Boron neutron capture therapy (BNCT) is a binary radiotherapeutic modality for cancer treatment, in which delivery agents containing 10B atoms are transported into tumor cells and then irradiated with low-energy thermal neutrons. Matrix metalloproteinases (MMPs) are a family of zinc-dependent endopeptidases that are involved in the remodeling and degradation of all components of the extracellular matrix (ECM). Overexpressed levels of MMP activity have been implicated in several disease states including tumor growth and metastasis. We have appended a borane-rich carborane cluster onto MMP-targeting pharmacophores to enable delivery of 10B atoms to a tumor. Herein, we describe the molecular docking experiments …
Ultrasensitive Tapered Optical Fiber Refractive Index, Erem Ujah, Meimei Lai, Gymama Slaughter
Ultrasensitive Tapered Optical Fiber Refractive Index, Erem Ujah, Meimei Lai, Gymama Slaughter
Electrical & Computer Engineering Faculty Publications
Refractive index (RI) sensors are of great interest for label-free optical biosensing. A tapered optical fiber (TOF) RI sensor with micron-sized waist diameters can dramatically enhance sensor sensitivity by reducing the mode volume over a long distance. Here, a simple and fast method is used to fabricate highly sensitive refractive index sensors based on localized surface plasmon resonance (LSPR). Two TOFs (l = 5 mm) with waist diameters of 5 µm and 12 µm demonstrated sensitivity enhancement at λ = 1559 nm for glucose sensing (5-45 wt%) at room temperature. The optical power transmission decreased with increasing glucose concentration due …
High Figure Of Merit Spin Polarized Electron Sources Grown Via Mocvd, Benjamin Belfore, Adam Masters, Deewakar Poudel, Greg Blume, Stephen Polly, Erdong Wang, Seth M. Hubbard, Marcy Stutzman, Joseph M. Grames, Matt Poelker, Matt Grau, Sylvain Marsillac
High Figure Of Merit Spin Polarized Electron Sources Grown Via Mocvd, Benjamin Belfore, Adam Masters, Deewakar Poudel, Greg Blume, Stephen Polly, Erdong Wang, Seth M. Hubbard, Marcy Stutzman, Joseph M. Grames, Matt Poelker, Matt Grau, Sylvain Marsillac
Electrical & Computer Engineering Faculty Publications
Spin polarized photocathodes are key to the future operation of electron accelerators such as the ones at Thomas Jefferson National Accelerator Facility and Brookhaven National Laboratory. Currently, these photocathodes come in short supply due to limited production by molecular beam epitaxy. By developing a process to implement similar structures using metal organic chemical vapor deposition, the availability of these devices can be increased. In this paper, we detail the implementation of recent photocathode advancements via metal organic chemical vapor deposition process and show an improvement in both polarization and quantum efficiency of our devices compared to those fabricated via molecular …
Copper-Catalyzed Dehydrogenative Decarboxylation Reactions Of Carboxylic Acids To Alkenes, Michael P. Stanton
Copper-Catalyzed Dehydrogenative Decarboxylation Reactions Of Carboxylic Acids To Alkenes, Michael P. Stanton
Graduate Theses, Dissertations, and Problem Reports (ETD)
Linear alpha olefins (LAOs) are important building blocks in the production of linear low-density polyethylene, a plastic used in products such as shrink wraps, plastic bags, tubing, plasticizers, among others. Commercial methods for generating LAOs utilize ethylene oligomerization, but this method is reliant on fossil fuels and leads to unselective product formation. Synthesis of LAOs from renewable resources, namely carboxylic acids, by decarbonylative dehydration strategies has been well studied, however, this method has inherent drawbacks rooted in the formation of internal olefin side-products through isomerization pathways. With the goal of avoiding internal isomerization, this thesis explores a dehydrogenative decarboxylation strategy …
Enabling Technologies For Chemical Synthesis: I. Selective Microwave Heating; Ii. Synthesis And Regioselective Cyclotrimerizations Of Tethered 1,6-Diynes, Amir Tavakoli
Graduate Theses, Dissertations, and Problem Reports (ETD)
Reaction discoveries, method developments, and technology advancements lie at the heart of synthetic organic chemistry. These innovations are essential for creating and manipulating complex molecules, which are the building blocks of many important chemical compounds, including pharmaceuticals, materials, and agrochemicals. Here, we first describe new methods to prepare neopentylene-tethered (NPT) 1,6-diynes which are valuable substrates for reaction discovery and target-oriented synthesis, especially in benzannulation strategies toward illudalane natural products. NPT 1,6-diynes have been employed as coupling partners in cyclotrimerization reactions for the synthesis of highly substituted benzene rings which present a persistent challenge in chemical synthesis and are underrepresented scaffolds …
Enantioselective Dearomatization Facilitated By Non-Covalent Interactions Of N-Heterocyclic Carbene Catalysts And Pyridinium Salts, Jack A. Patterson
Enantioselective Dearomatization Facilitated By Non-Covalent Interactions Of N-Heterocyclic Carbene Catalysts And Pyridinium Salts, Jack A. Patterson
Graduate Theses, Dissertations, and Problem Reports (ETD)
Dihydropyridines are a practical organic scaffold commonly used for their pharmaceutical properties. Nucleophilic dearomatization of pyridines has proven to be a useful method in obtaining dihydropyridines. By using N-heterocyclic carbene (NHC) organocatalysts, dihydropyridines can be synthesized with high regioselectivity of the 1,4 regioisomer over the 1,2- regioisomer but often with low enantioselectivity. By incorporating non-covalent interaction contact points, we hypothesize that enantioselectivity can be enhanced. By synthesizing numerous NHCs, each proposed to exhibit a different type of non-covalent interaction (i.e., hydrogen bonding or ion pairing), an understanding of the secondary interactions within this reaction system can be studied and …
Synthesis And Pharmacology Of Illudalic Acid And Analogous Chemical Structures, Robert Gaston Jr
Synthesis And Pharmacology Of Illudalic Acid And Analogous Chemical Structures, Robert Gaston Jr
Graduate Theses, Dissertations, and Problem Reports (ETD)
Natural products are the foundation of modern medicine and an inspiration for chemical innovation. Developing new synthetic strategies to complex natural products drives synthetic innovation and promotes pharmacological exploration. As bioactive secondary metabolites of fungi, illudalic acid and associated analogs have unrealized medicinal potential due to synthetic limitations. Illudalic acid is notably the first selective covalent inhibitor of the LAR-PTPs, a class of enzymes linked to many human illnesses, including stimulant addiction. The chemistry herein focuses on optimizing synthetic routes to illudalic acid and associated analogs toward exploring their pharmaceutical potential. We report a second-generation synthesis of illudinine (55% overall …
Investigations Into Indole Formation: Base-Mediated Formation Of N-Hydroxy- And N-Alkoxyindoles, Ancillary Ligand Development For Watanabe-Cenini-Söderberg Cyclization, And Total Synthesis Of Racemosin B, Blaine Thomas Mcclay
Graduate Theses, Dissertations, and Problem Reports (ETD)
A novel, base-mediated cyclization was developed to form N-hydroxy- and N-alkoxyindoles from 2-(2-nitrophenyl)butenoates. Potassium tert-butoxide or sodium tert-pentoxide, with or without the in-situ addition of an electrophile, formed a multitude of N-hydroxy- and N-alkoxyindoles. The formation of these butanoate precursors was improved via a Barluenga coupling reaction. Novel 4,5,6,7-tetramethoxy-1,10-phenanthroline was utilized as an ancillary ligand within the Watanabe-Cenini-Söderberg reductive cyclization reaction conditions. These new reaction conditions produced high yields for sterically hindered 2-nitrostyrenes and the first synthesis of dilemmaone A using this reductive cyclization. Racemosin B was synthesized in a three-step process utilizing a …
2-Aminopyridyl Functionalized Scaffold As A Tool For Systematic Investigation Of B-Glucan Binding And Dectin-1 Activation, Jasper Alinea Aquino
2-Aminopyridyl Functionalized Scaffold As A Tool For Systematic Investigation Of B-Glucan Binding And Dectin-1 Activation, Jasper Alinea Aquino
Graduate Student Theses, Dissertations, & Professional Papers
Tuberculosis (TB) – an infectious disease caused by Mycobacterium tuberculosis (Mtb) – remains an epidemic worldwide contributing to millions of deaths each year. Vaccination is possibly the best means of addressing this global threat. In recent years, synergistic Th1 and Th17 immune responses have emerged as the key players for a vaccine-induced protection against TB. There is currently no vaccine approved for humans that elicits a Th17-mediated immune response. C-Type Lectin Receptors (CLR), specifically Dectin-1, a pattern recognition receptor (PRR) of β-1,3-glucans (β-glucans) primarily from fungi cell walls, is known to induce a Th17-mediated response. The Th17 response upon binding …