Physical Sciences and Mathematics Commons^™

Calculation Guided Rational Design And Synthesis Of Novel Cationic Fluorescent Meso–Pyridinium Bodipys For Bio-Imaging, Daniel J. Lamaster

LSU Doctoral Dissertations

Chapter 1 contains a brief overview of the history, synthesis, and properties of BODIPY dyes as well as that of the biomedical applications of bio-imaging and photodynamic therapy. Additionally, an overview of the theoretical framework of density functional theory and its time-dependent variant are provided. In Chapter 2, the effects of structural modification on the electronic structure and electron dynamics of cationic meso-(4-pyridyl)-BODIPYs were investigated. A library of 2,6-difunctionalized meso-(4-pyridyl)-BODIPYs bearing various electron-withdrawing substituents was designed and DFT calculations were used to model the redox properties, while TDDFT was used to determine the effects of functionalization on the excited …

Nmr Structural Investigation Of Chlamydial Protein Complex And Lysine Glycomimetic For Drug Design, Abigael Chebichiy Songok

LSU Doctoral Dissertations

Research and design of drugs for treatment against microbial infections require the study of pathogenic proteins involved during infection and replication. Drugs can be designed to interfere with the interaction network of these pathogenic proteins and inhibit the infection process. Determination of the structure and ligands of the target proteins in microbes is essential for designing mechanistic-based drugs. Two Chlamydia proteins involved in host cell invasion were investigated in this study. The goal is to identify amino acids involved at the binding interface of Chlamydia chaperon proteins Scc1 and Scc4 by solution NMR spectroscopy. This information will give a lead …

New Platinum(Ii) And Rhenium(I) Complexes Of "Linear" Chelate Ligands Terminated With Pyridyl Or Imidazolyl N-Donor Groups, Himali Kokila Ranasinghe Pilana Vithanage

LSU Doctoral Dissertations

The overall goal of this dissertation research is to design, synthesize, and study new Pt(II) and Re(I) complexes relevant to biomedical applications. One of the projects involves the assessment of the interactions of bulky tridentate carrier ligands with a bound guanine nucleobase derivative (G) in platinum complexes, with a goal of developing chemistry potentially relevant to active anti-cancer Pt drugs. In another project, the fac-[Re^I(CO)₃]⁺ core is used to prepare novel Re(I) complexes with the purpose of developing new linking chemistry relevant to ^99mTc and ¹⁸⁷Re radiopharmaceuticals. This research explores …

Higher Energy Gap Control Of Fluorescence In Conjugated Polymers, Chien-Hung Chiang

LSU Doctoral Dissertations

Chemo- and biosensors based on fluorescent conjugated polymer benefit from greater detection sensitivity due to amplification of the electronic perturbations produced by analyte binding. This amplification stems from the exciton-transporting properties of conjugated polymers. A conventional design paradigm relies on the analyte binding events which generate sites of lower energy relative to the polymer energy: either fluorescence quenching sites (turn-off sensors) or bathochromically shifted fluorophores (turn-on sensors). In both type sensors, the excitons migrate to the lower-energy site created by analyte binding.

This dissertation primarily focused the investigation of an alternative paradigm when analyte binding creates higher energy gap sites …

Synthesis And Characterization Of Covalent Adaptable Networks Comprised Of Dynamic Imine And Aminal Covalent Bonds, Albert Chao

LSU Doctoral Dissertations

The dissertation is about the design, synthesis and characterization of materials comprised of covalent adaptable networks (CANs). There are three chapters within this dissertation.

Chapter 1 contains a short overview of conventional thermosets and thermoplastics. A new strategy of combining advantages from thermosets and thermoplastics is utilizing dynamic covalent chemistry (DCC) for material design. Dynamic covalent bonds are able to undergo dynamic exchange which allow the material to adapt to a new state when under stimuli such as stress or strain. Material comprised of such reversible networks is called covalent adaptable networks (CANs). These types of reversible covalent bonds followed …