Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 5 of 5
Full-Text Articles in Physical Sciences and Mathematics
Gene Vectors With Fluorescence Tracking Capabilities, Sophia Despina Angelopoulos
Gene Vectors With Fluorescence Tracking Capabilities, Sophia Despina Angelopoulos
Browse all Theses and Dissertations
This project focuses on the optimization of benzothiazole-based chromophores to utilize them as fluorescent tags functionalized onto stimuli-responsive, or “smart,” polymers as non-viral gene delivery vectors for gene therapy applications. Blue-fluorescent emissive chromophores will allow tracking capabilities for the transfection pathway of the vector to be monitored as it delivers the DNA payload within intercellular space. The most appropriate chromophore must be covalently bound to a free amine within the vector, which is accomplished through NAS chemistry from fluorophenyl-benzothiazoles (F-BTZ-CBz) derivatives to amidated hyperbranched poly(ethyleneimine)(HPEI-IBAm0.61). HPEI is considered to be a synthetic polycation, which promotes tunable solubility through characteristics of …
Quantum Chemical Pka Estimation Of Carbon Acids, Saturated Alcohols, And Ketones Via Quantitative Structure-Activity Relationships, Corey Adam Baldasare
Quantum Chemical Pka Estimation Of Carbon Acids, Saturated Alcohols, And Ketones Via Quantitative Structure-Activity Relationships, Corey Adam Baldasare
Browse all Theses and Dissertations
Acid dissociation constants, often expressed as pKa values, afford vital information with regards to molecular behavior in various environments and are of significance in fields of organic, inorganic, and medicinal chemistry. Several quantitative structure-activity relationships (QSARs) were developed that correlate experimental pKas for a given class of compounds with a descriptor(s) calculated using density functional theory at the B3LYP/6-31+G** level utilizing the CPCM solvent model. A set of carbon acids provided a good final QSAR model of experimental aqueous pKas versus ΔEH2O (R2 = 0.9647) upon removal of three aldehydes as outliers. A study of saturated alcohols offered a final …
Computational Estimation Of The Pka's Of Purines And Related Compounds, Kara L. Geremia
Computational Estimation Of The Pka's Of Purines And Related Compounds, Kara L. Geremia
Browse all Theses and Dissertations
The acid dissociation value pKa of a compound provides important information regarding the neutral and ionic forms of the compound present under different conditions. However, for many compounds experimental pKa values are not available, and for others the measured values are sometimes uncertain. Consequently, having a computational means for estimating pKa values can be of benefit for biochemical, pharmaceutical, polymer, and many other studies. Purines form a key group of bioactive compounds whose acid/base activities are of considerable interest. The purine class includes such diverse compounds as the nucleic acid bases adenine and guanine, the gout-related compound uric acid, the …
Work Function Modification Of Metal Electrodes Via Printing Of Pedot:Pss And Carbon Nanotubes, Carly A. Jordan
Work Function Modification Of Metal Electrodes Via Printing Of Pedot:Pss And Carbon Nanotubes, Carly A. Jordan
Browse all Theses and Dissertations
Work function tunability of metal electrodes provides a route to improving performance of organic electronic devices. Using an electrode with a different work function changes the potential barrier at the polymer/electrode interface, leading to altered device characteristics, such as turn-on voltage in light emitting diodes or series resistance photodiodes. In this work, we explore work function modification by employing solution-based conducting materials, poly(3,4-ethylenedioxythiophene) : poly(styrene sulfonate) (PEDOT:PSS) and carbon nanotubes (CNTs), printed as overcoatings on oxidized Ni. The capability of direct write technologies, namely inkjet and aerosol jet printing, to control thin film thickness is investigated. The correlation between film …
Near Single-Molecule Sers-Based Detection Using Ultrafiltered, Unfunctionalized Silver Nanoparticles, Joshua Dale Baker
Near Single-Molecule Sers-Based Detection Using Ultrafiltered, Unfunctionalized Silver Nanoparticles, Joshua Dale Baker
Browse all Theses and Dissertations
Silver nanoparticles (AgNPs) are currently widely-used in consumer products, therapeutics, biomedical devices, and electronics. Yet, one application for which AgNPs have been used extensively is surface-enhanced Raman spectroscopy (SERS)-based sensing. However, AgNP size and aggregation state are known to greatly influence these applications. This works aimed 1) to synthesize a large volume of unfunctionalized, Creighton AgNPs, to characterize their chemical and physical properties, 2) then to size-select AgNPs of 1-50 nm and 50-100 nm in diameter and to concentrate them using a three-step, "green" tangential flow ultrafiltration (TFU) process. 3) Finally, to determine and compare the SERS-based sensing capabilities of …