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Articles 1 - 10 of 10
Full-Text Articles in Physical Sciences and Mathematics
Pyrenylpyridines: Sky-Blue Emitters For Organic Light-Emitting Diodes, Thenahandi Prasanthi Deepthika Silva, Sang Gil Youm, George G. Tamas, Boqian Yang, Chun-Han Wang, Frank R. Fronczek, Girija Sahasrabudhe, Sierra Sterling, Rashanique Quarels, Et Al
Pyrenylpyridines: Sky-Blue Emitters For Organic Light-Emitting Diodes, Thenahandi Prasanthi Deepthika Silva, Sang Gil Youm, George G. Tamas, Boqian Yang, Chun-Han Wang, Frank R. Fronczek, Girija Sahasrabudhe, Sierra Sterling, Rashanique Quarels, Et Al
Faculty Scholarship for the College of Science & Mathematics
A novel sky-blue-emitting tripyrenylpyridine derivative, 2,4,6-tri(1-pyrenyl)pyridine (2,4,6-TPP), has been synthesized using a Suzuki coupling reaction and compared with three previously reported isomeric dipyrenylpyridine (DPP) analogues (2,4-di(1-pyrenyl)pyridine (2,4-DPP), 2,6-di(1-pyrenyl)pyridine (2,6-DPP), and 3,5-di(1-pyrenyl)pyridine (3,5-DPP)). As revealed by single-crystal X-ray analysis and computational simulations, all compounds possess highly twisted conformations in the solid state with interpyrene torsional angles of 42.3°–57.2°. These solid-state conformations and packing variations of pyrenylpyridines could be correlated to observed variations in physical characteristics such as photo/thermal stability and spectral properties, but showed only marginal influence on electrochemical properties. The novel derivative, 2,4,6-TPP, exhibited the lowest degree of crystallinity as …
Effects Of Ionic Liquid Alkyl Chain Length On Denaturation Of Myoglobin By Anionic, Cationic, And Zwitterionic Detergents, Joshua Y. Lee, Katherine M. Selfridge, Eric M. Kohn, Timothy Vaden, Gregory A. Caputo
Effects Of Ionic Liquid Alkyl Chain Length On Denaturation Of Myoglobin By Anionic, Cationic, And Zwitterionic Detergents, Joshua Y. Lee, Katherine M. Selfridge, Eric M. Kohn, Timothy Vaden, Gregory A. Caputo
Faculty Scholarship for the College of Science & Mathematics
The unique electrochemical properties of ionic liquids (ILs) have motivated their use as solvents for organic synthesis and green energy applications. More recently, their potential in pharmaceutical chemistry has prompted investigation into their effects on biomolecules. There is evidence that some ILs can destabilize proteins via a detergent-like manner; however, the mechanism still remains unknown. Our hypothesis is that if ILs are denaturing proteins via a detergent-like mechanism, detergent-mediated protein unfolding should be enhanced in the presence of ILs. The properties of myoglobin was examined in the presence of a zwitterionic (N,N-dimethyl-N-dodecylglycine betaine (Empigen BB®, EBB)), cationic (tetradecyltrimethylammonium bromide (TTAB)), …
Correlating Lipid Membrane Permeabilities Of Imidazolium Ionic Liquids With Their Cytotoxicities On Yeast, Bacterial, And Mammalian Cells, Kendall Cook, Katharine Tarnawsky, Alana J. Swinton, Daniel D. Yang, Alexandria S. Senetra, Gregory A. Caputo, Benjamin Carone, Timothy Vaden
Correlating Lipid Membrane Permeabilities Of Imidazolium Ionic Liquids With Their Cytotoxicities On Yeast, Bacterial, And Mammalian Cells, Kendall Cook, Katharine Tarnawsky, Alana J. Swinton, Daniel D. Yang, Alexandria S. Senetra, Gregory A. Caputo, Benjamin Carone, Timothy Vaden
Faculty Scholarship for the College of Science & Mathematics
Alkyl-imidazolium chloride ionic liquids (ILs) have been broadly studied for biochemical and biomedical technologies. They can permeabilize lipid bilayer membranes and have cytotoxic effects, which makes them targets for drug delivery biomaterials. We assessed the lipid-membrane permeabilities of ILs with increasing alkyl chain lengths from ethyl to octyl groups on large unilamellar vesicles using a trapped-fluorophore fluorescence lifetime-based leakage experiment. Only the most hydrophobic IL, with the octyl chain, permeabilizes vesicles, and the concentration required for permeabilization corresponds to its critical micelle concentration. To correlate the model vesicle studies with biological cells, we quantified the IL permeabilities and cytotoxicities on …
Strictinin, A Novel Ror1-Inhibitor, Represses Triple Negative Breast Cancer Survival And Migration Via Modulation Of Pi3k/Akt/Gsk3ss Activity., Norman Fultang, Abhinav Illendula, Brian Chen, Chun Wu, Subash C. Jonnalagadda, Nathan Baird, Zachary Klase, Bela Peethambaran
Strictinin, A Novel Ror1-Inhibitor, Represses Triple Negative Breast Cancer Survival And Migration Via Modulation Of Pi3k/Akt/Gsk3ss Activity., Norman Fultang, Abhinav Illendula, Brian Chen, Chun Wu, Subash C. Jonnalagadda, Nathan Baird, Zachary Klase, Bela Peethambaran
Faculty Scholarship for the College of Science & Mathematics
Triple Negative Breast Cancer (TNBC), the most aggressive subtype of breast cancer, is characterized by the absence of hormone receptors usually targeted by hormone therapies like Tamoxifen. Because therapy success and survival rates for TNBC lag far behind other breast cancer subtypes, there is significant interest in developing novel anti-TNBC agents that can target TNBC specifically, with minimal effects on non-malignant tissue. To this aim, our study describes the anti-TNBC effect of strictinin, an ellagitanin previously isolated from Myrothamnus flabellifolius. Using various in silico and molecular techniques, we characterized the mechanism of action of strictinin in TNBC. Our results suggest …
Ethanolamine Regulates Cqsr Quorum-Sensing Signaling In Vibrio Cholerae, Samit Watve, Kelsey Barrasso, Sarah A. Jung, Kristen J. Davis, Lisa A. Hawver, Atul Khataokar, Ryan G. Palaganas, Matthew B. Neiditch, Lark Perez, Wai-Leung Ng
Ethanolamine Regulates Cqsr Quorum-Sensing Signaling In Vibrio Cholerae, Samit Watve, Kelsey Barrasso, Sarah A. Jung, Kristen J. Davis, Lisa A. Hawver, Atul Khataokar, Ryan G. Palaganas, Matthew B. Neiditch, Lark Perez, Wai-Leung Ng
Faculty Scholarship for the College of Science & Mathematics
The pathogen that causes cholera, Vibrio cholerae, uses the cell-cell communication process known as quorum sensing (QS) to regulate virulence factor production and biofilm formation in response to changes in population density and complexity. QS is mediated through the detection of extracellular chemical signals called autoinducers. Four histidine kinases, LuxPQ, CqsS, CqsR and VpsS, have been identified as receptors to activate the key QS regulator LuxO at low cell density. At high cell density, detection of autoinducers by these receptors leads to deactivation of LuxO, resulting in population-wide gene expression changes. While the cognate autoinducers that regulate the activity of …
Binding Of Braco19 To A Telomeric G-Quadruplex Dna Probed By All-Atom Molecular Dynamics Simulations With Explicit Solvent., Babitha Machireddy, Holli-Joi Sullivan, Chun Wu
Binding Of Braco19 To A Telomeric G-Quadruplex Dna Probed By All-Atom Molecular Dynamics Simulations With Explicit Solvent., Babitha Machireddy, Holli-Joi Sullivan, Chun Wu
Faculty Scholarship for the College of Science & Mathematics
Although BRACO19 is a potent G-quadruplex binder, its potential for clinical usage is hindered by its low selectivity towards DNA G-quadruplex over duplex. High-resolution structures of BRACO19 in complex with neither single-stranded telomeric DNA G-quadruplexes nor B-DNA duplex are available. In this study, the binding pathway of BRACO19 was probed by 27.5 µs molecular dynamics binding simulations with a free ligand (BRACO19) to a DNA duplex and three different topological folds of the human telomeric DNA G-quadruplex (parallel, anti-parallel and hybrid). The most stable binding modes were identified as end stacking and groove binding for the DNA G-quadruplexes and duplex, …
Electrochemical Reduction Of Artemisinin: Chromatographic Identification Of Bulk Electrolysis Products, Faja Ombwayo, Zahilis Mazzhichette, Amos Mugweru
Electrochemical Reduction Of Artemisinin: Chromatographic Identification Of Bulk Electrolysis Products, Faja Ombwayo, Zahilis Mazzhichette, Amos Mugweru
Faculty Scholarship for the College of Science & Mathematics
Artemisinin is a naturally occurring sesquiterpene lactone with an endo-peroxide bond. This drug is used for treatment of many diseases including malaria. The reduction of this molecule on an electrode surface was carried out by cyclic voltammetry as well as amperometry. Cyclic voltammetry of artemisinin generated one prominent peak wave at -1.0 V and another, smaller one at -0.3 V vs Ag/AgCl reference electrode. The bulk electrolysis of artemisinin on a carbon electrode generated two other irreversible peak waves at around -0.7 and -0.1 V. The concentration of the products was dependent on the time of electrolysis. LC-MS was used …
3d-Qsar, Molecular Docking, And Dynamics Simulation Of Quinazoline-Phosphoramidate Mustard Conjugates As Egfr Inhibitor, Ruslin Ruslin, Amelia Resky, Yamin Yamin, Sandra Megantara, Chun Wu, Muhammad Arba
3d-Qsar, Molecular Docking, And Dynamics Simulation Of Quinazoline-Phosphoramidate Mustard Conjugates As Egfr Inhibitor, Ruslin Ruslin, Amelia Resky, Yamin Yamin, Sandra Megantara, Chun Wu, Muhammad Arba
Faculty Scholarship for the College of Science & Mathematics
To develop novel and more potent quinazoline–phosphoramidate mustard conjugates as epidermal growth factor receptor (EGFR) inhibitor, three-dimensional quantitative structure-activity relationship [comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA)] combined with molecular docking were performed. A series of 13 compounds in the training set gave q2 values of 0.577 and 0.537, as well as r2 values of 0.926 and 0.921 for CoMFA and CoMSIA models, respectively. The contour maps that were produced by the CoMFA and CoMSIA models revealed that steric, electrostatic, and hydrophobic fields were crucial in the inhibitory activity of quinazoline–phosphoramidate derivatives. Based on the …
Inhibition Of Pseudomonas Aeruginosa Biofilm Formation With Surface Modified Polymeric Nanoparticles, T. R. Flockton, L. Schnorbus, A. Araujo, J. Adams, M. Hammel, Lark Perez
Inhibition Of Pseudomonas Aeruginosa Biofilm Formation With Surface Modified Polymeric Nanoparticles, T. R. Flockton, L. Schnorbus, A. Araujo, J. Adams, M. Hammel, Lark Perez
Faculty Scholarship for the College of Science & Mathematics
The gram-negative bacterial pathogen Pseudomonas aeruginosa represents a prominent clinical concern. Due to the observed high levels of antibiotic resistance, copious biofilm formation, and wide array of virulence factors produced by these bacteria, new treatment technologies are required. Here, we present the development of a series of P. aeruginosa LecA-targeted polymeric nanoparticles and demonstrate the anti-adhesion and biofilm inhibitory properties of these constructs.
Conductivity, Viscosity, Spectroscopic Properties Of Organic Sulfonic Acid Solutions In Ionic Liquids, A. T. Tran, J. Tomlin, P. H. Lam, B. L. Stinger, A. D. Miller, D. J. Walczyk, O. Cruz, Timothy Vaden, Lei Yu
Conductivity, Viscosity, Spectroscopic Properties Of Organic Sulfonic Acid Solutions In Ionic Liquids, A. T. Tran, J. Tomlin, P. H. Lam, B. L. Stinger, A. D. Miller, D. J. Walczyk, O. Cruz, Timothy Vaden, Lei Yu
Faculty Scholarship for the College of Science & Mathematics
Sulfonic acids in ionic liquids (ILs) are used as catalysts, electrolytes, and solutions for metal extraction. The sulfonic acid ionization states and the solution acid/base properties are critical for these applications. Methane sulfonic acid (MSA) and camphor sulfonic acid (CSA) are dissolved in several IL solutions with and without bis(trifluoromethanesulfonyl)imine (HTFSI). The solutions demonstrated higher conductivities and lower viscosities. Through calorimetry and temperature-dependent conductivity analysis, we found that adding MSA to the IL solution may change both the ion migration activation energy and the number of “free” charge carriers. However, no significant acid ionization or proton transfer was observed in …