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You searched for +publisher:"Georgia Tech" +contributor:("Seley, Katherine"). Showing records 1 – 3 of 3 total matches.

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Georgia Tech

1. Sasine, Joshua Sidney. Nanocapsules: Calix[4]arene Derivatives that Self-Assemble through Ionic Interactions in Polar Solvents.

Degree: PhD, Chemistry and Biochemistry, 2005, Georgia Tech

Molecular capsules consist of two or more molecules that bind through either covalent or noncovalent interactions to form a structure with an internal void capable of containing guest molecules. These capsules can be used in catalysis/biocatalysis, in drug transport and delivery, in supramolecular arrays, and to stabilize reactive intermediates. Cavitands and calix[4]arenes are two types of macrocycles that have been used to form molecular capsules. Cavitands are used to form capsules called carceplexes, hemicarceplexes, and hemicarcerands through covalent bonds when two molecules are bridged together rim to rim. Calix[4]arene derivatives self-assemble reversibly through noncovalent interactions such as hydrogen bonding and ionic bonding to form capsules. Capsules formed form cavitands and calix[4]arenes have been shown to encapsulate a variety of guest molecules in nonpolar solvents. In order for the capsules to be used for biological applications, the capsules need to encapsulate guest molecules in water. There are only a few examples of capsules that encapsulate guests in polar solvents. Calix[4]arenes derivatives substituted with charged substituents on the upper rim and propyl groups on the lower rim were synthesized. These derivatives dimerize through ionic interactions in polar solvents forming both heterodimers and homodimers. These dimers will be used to encapsulate various guest molecules. Although the ionic propoxycalix[4]arene monomers are water-soluble, the heterodimers are not. This is due to the shielding of the charges upon assembly leaving only the propyl groups on the lower rim exposed to the polar solvent. To increase dimer solubility in water, calix[4]arene derivatives are being synthesized with hydroxy ethyl groups instead of the propyl groups on the lower rim. When the charged hydroxyethoxycalix[4]arene derivatives dimerize, the alcohols will be exposed to the polar solvent instead of the propyl groups increasing the water-solubility of the capsules. Advisors/Committee Members: Shuker, Suzanne (Committee Chair), Collard, David (Committee Member), DeWeerth, Steve (Committee Member), Doyle, Donald (Committee Member), Seley, Katherine (Committee Member).

Subjects/Keywords: Calix[4]arene; Nanocapsule; Polar; Ionic; Association; Dimers; Self-assembly; Nanostructured materials; Calixarenes; Drugs Physiological transport Research Methodology

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Sasine, J. S. (2005). Nanocapsules: Calix[4]arene Derivatives that Self-Assemble through Ionic Interactions in Polar Solvents. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/6888

Chicago Manual of Style (16th Edition):

Sasine, Joshua Sidney. “Nanocapsules: Calix[4]arene Derivatives that Self-Assemble through Ionic Interactions in Polar Solvents.” 2005. Doctoral Dissertation, Georgia Tech. Accessed January 23, 2021. http://hdl.handle.net/1853/6888.

MLA Handbook (7th Edition):

Sasine, Joshua Sidney. “Nanocapsules: Calix[4]arene Derivatives that Self-Assemble through Ionic Interactions in Polar Solvents.” 2005. Web. 23 Jan 2021.

Vancouver:

Sasine JS. Nanocapsules: Calix[4]arene Derivatives that Self-Assemble through Ionic Interactions in Polar Solvents. [Internet] [Doctoral dissertation]. Georgia Tech; 2005. [cited 2021 Jan 23]. Available from: http://hdl.handle.net/1853/6888.

Council of Science Editors:

Sasine JS. Nanocapsules: Calix[4]arene Derivatives that Self-Assemble through Ionic Interactions in Polar Solvents. [Doctoral Dissertation]. Georgia Tech; 2005. Available from: http://hdl.handle.net/1853/6888


Georgia Tech

2. Schwimmer, Lauren J. Engineering ligand-receptor pairs for small molecule control of transcription.

Degree: PhD, Chemistry and Biochemistry, 2005, Georgia Tech

Creating receptors for control of transcription with arbitrary small molecules has widespread applications including gene therapy, biosensors, and enzyme engineering. Using the combination of high throughput docking, codon randomization, and chemical complementation, we have created new receptors to control transcription with small molecules. Chemical complementation, a new method of protein engineering, was used to discover retinoid X receptors (RXR) variants that are activated by compounds that do not activate wild-type RXR. A first library of 32,768 RXR variants was designed for the synthetic retinoid-like compound LG335. The library produced ligand-receptor pairs with LG335 that have a variety of EC50s and efficacies. One engineered variant has essentially the reverse ligand specificity of wild-type RXR and is transcriptionally active at 10 and64979;fold lower LG335 concentration than wild-type RXR with 9cRA in yeast. The activity of this variant in mammalian cells correlates with its activity in yeast. A second library of 262,144 RXR variants was designed for two purposes: (i) to develop a high-throughput chemical complementation method to select variants that have high efficacies and low EC50s; and (ii) to find variants which are activated by small molecules not known to bind RXR variants. Selection conditions were manipulated to find only variants with high efficacies and low EC50s. This library was also selected for variants that activate transcription specifically in response to gamma-oxo-1-pyrenebutyric acid (OPBA), which is different from any known RXR ligand. OPBA was chosen as a potential ligand using high-throughput docking with the software program FlexX. Two variants are activated by OPBA with an EC50 of 5 mM. This is only ten-fold greater than the EC50 of wild type RXR with its ligand 9cRA (500 nM) in yeast. An improved method synthesizing LG335 and a method for quantifying intracellular ligand concentrations were developed. Although the LG335 synthetic method has an additional step, the overall yield was improved to 8% from 4% in the original publication. Liquid chromatography and mass spectrometry was used to quantify the intracellular concentration of LG335, which was found to be within four fold of the LG335 concentration in the media. Advisors/Committee Members: Doyle, Donald (Committee Chair), Bommarius, Andreas (Committee Member), Orville, Allen (Committee Member), Radhakrishna, Harish (Committee Member), Seley, Katherine (Committee Member).

Subjects/Keywords: Chemical complementation; Ligand-receptor pair; Protein engineering; Retinoid X receptor; Nuclear receptor; Codon randomized libraries; Transcription factors; Protein engineering; Nuclear receptors (Biochemistry); Genetic engineering

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Schwimmer, L. J. (2005). Engineering ligand-receptor pairs for small molecule control of transcription. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/11651

Chicago Manual of Style (16th Edition):

Schwimmer, Lauren J. “Engineering ligand-receptor pairs for small molecule control of transcription.” 2005. Doctoral Dissertation, Georgia Tech. Accessed January 23, 2021. http://hdl.handle.net/1853/11651.

MLA Handbook (7th Edition):

Schwimmer, Lauren J. “Engineering ligand-receptor pairs for small molecule control of transcription.” 2005. Web. 23 Jan 2021.

Vancouver:

Schwimmer LJ. Engineering ligand-receptor pairs for small molecule control of transcription. [Internet] [Doctoral dissertation]. Georgia Tech; 2005. [cited 2021 Jan 23]. Available from: http://hdl.handle.net/1853/11651.

Council of Science Editors:

Schwimmer LJ. Engineering ligand-receptor pairs for small molecule control of transcription. [Doctoral Dissertation]. Georgia Tech; 2005. Available from: http://hdl.handle.net/1853/11651


Georgia Tech

3. O'Daniel, Peter Ivo. Exploring structural diversity in nucleoside and nucleic acid drug design.

Degree: PhD, Chemistry and Biochemistry, 2005, Georgia Tech

The design and optimization of chemotherapeutic molecules through molecular modeling is a rapidly growing aspect of drug design. The recent increase in computer power and accompanying decrease in the cost of hardware has led to the wide use of computational chemistry in the development of new drugs. In addition, virtual screening of compound libraries also aids in the rapid development of new drugs. In that regard, there are three computational projects in addition to a project involving the synthesis of potential inhibitors that compile the research presented herein. The first project involves molecular mechanics simulations of isoadenosine analogues as potential inhibitors of S-adenosylhomocysteine hydrolase (SAHase). These analogues possess a carbocyclic moiety at the N-3 position instead of the normal N-9. The second project involves molecular mechanics simulations on flexible nucleosides as bioprobes of biologically significant enzymes. These purine analogues have nucleobases that are separated into their imidazole and pyrimidine rings connected by a single carbon-carbon bond.. This feature imparts flexibility to the base. The third project involves molecular dynamics simulations on expanded purine nucleotides in modified DNA. These compounds possess a heteroaromatic spacer ring inserted between the imidazole and pyrimidine portions of adenosine and guanosine purine rings. These analogues were and are incorporated into 10- and 20-mer DNA strands to investigate the effects on DNA. The final project focuses on the synthesis of a series of chlorinated 3-deazaadenosine analogues as potential anticancer agents. These 3-deazaadenine analogues have chlorine systematically placed in the 2-, 6- and 8-positions of adenine. Advisors/Committee Members: Seley, Katherine L. (Committee Chair), Barefield, E. Kent (Committee Member), Beckham, Haskell W. (Committee Member), Doyle, Donald F. (Committee Member), Weck, Marcus (Committee Member).

Subjects/Keywords: DNA; Nucleosides; Nucleotides; Enzymes; Fleximers; Drugs Design

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

O'Daniel, P. I. (2005). Exploring structural diversity in nucleoside and nucleic acid drug design. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/14042

Chicago Manual of Style (16th Edition):

O'Daniel, Peter Ivo. “Exploring structural diversity in nucleoside and nucleic acid drug design.” 2005. Doctoral Dissertation, Georgia Tech. Accessed January 23, 2021. http://hdl.handle.net/1853/14042.

MLA Handbook (7th Edition):

O'Daniel, Peter Ivo. “Exploring structural diversity in nucleoside and nucleic acid drug design.” 2005. Web. 23 Jan 2021.

Vancouver:

O'Daniel PI. Exploring structural diversity in nucleoside and nucleic acid drug design. [Internet] [Doctoral dissertation]. Georgia Tech; 2005. [cited 2021 Jan 23]. Available from: http://hdl.handle.net/1853/14042.

Council of Science Editors:

O'Daniel PI. Exploring structural diversity in nucleoside and nucleic acid drug design. [Doctoral Dissertation]. Georgia Tech; 2005. Available from: http://hdl.handle.net/1853/14042

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