Physical Sciences and Mathematics Commons^™

Thermocatalytic Plasma-Assisted Dry Reforming Of Methane Over Ni/Al2o3 Catalyst, Tyler Wong

Seton Hall University Dissertations and Theses (ETDs)

Plasma catalysis is an advantageous approach that combines the effects of plasma with the enhancements of a catalyst. By utilizing a nickel catalyst in the plasma discharge zone of a dielectric barrier discharge (DBD), it can give an enhancement to the electrical field, boost microdischarges, and increase conversion and selectivity rates of CH₄ and CO₂ in the dry reforming of methane (DRM) reaction.

Industrial application of nickel catalysts in DBD Plasma DRM process are limited by poor stability, which is caused by the sintering of active metal particles and coke deposition on the catalyst surface. In this work, …

Investigating The Diffusion Of Solid Yttria Into Solid Zirconia For The Formation Of Yttria Stabilized Zirconia, Logan Thomas Ockershausen

Seton Hall University Dissertations and Theses (ETDs)

A molecular dynamics simulation of yttria-stabilized zirconia (YSZ) is reported in order to analyze the diffusion of the oxygen atoms from the yttria into the zirconia from an initial structure containing a layer of yttria on zirconia. The simulation was performed starting from a pure zirconia slab which was amorphized at the surface followed by placing a slab of yttria on top and a vacuum layer above that. The yttria/zirconia system was simulated at increasing temperatures to 1500K under canonical (NVT) constraints for 6.98 ns until the yttrium atom diffusion was found to occur. The final run was analyzed for …

Microwave Synthesis And Photophysical Characterization Of Heteroleptic Iridium Complexes For Applications In Oleds And Lecs, Allyson Dixon

Seton Hall University Dissertations and Theses (ETDs)

A series of heteroleptic, iridium-based ionic transition metal complexes (ir-iTMCS), with the purpose to serve as potential components of OLED and LEC devices, were synthesized through a green, combinatorial-based approach. This work utilized a microwave reactor in order to bring our research into closer alignment with the tenets of green chemistry. The aim of this research was to assess the effects of structural differences, specifically steric crowding, on the photophysical characteristics of the complexes. The radiative quantum efficiencies (Φ_f) and excited state lifetimes (τ ) of the series of Ir-iTMCs were investigated. The rates of radiative (k_{r …}

Photoacid-Catalyzed C–C And C–O Bond Formation And The Synthesis Of Triazole - Containing Bis(Indolyl)Methanes, Jason Saway

Seton Hall University Dissertations and Theses (ETDs)

From photosynthesis to transition metal-type photocatalysts, the conversion of light energy into chemical energy is a fundamental process in chemistry. While photochemistry is not new to the world of science, there has been a renewed interest in the field, specifically with the use of photocatalysts. There is a wide variety of compounds that function as photocatalysts, ranging from transitions metal complexes, organic dyes, and photoacids. Photoacids, which have typically been used for polymer synthesis and the pH modulation of biological systems and have recently gained popularity due to their catalytic potential. These compounds offer an efficient, cost-effective way to conduct …

Advances In Structure Elucidation Of Small Molecules And Peptides By Nuclear Magnetic Resonance Spectroscopy And Mass Spectrometry, Ryan D. Cohen

Seton Hall University Dissertations and Theses (ETDs)

This dissertation reports on improvements in nuclear magnetic resonance (NMR) and mass spectrometry (MS) structure determination methods of organic compounds, with particular focus on challenging cyclic peptides. A recent and important innovation in NMR spectroscopy is the combination of theoretical property predictions, such as chemical shifts, using density functional theory (DFT) to aid in challenging NMR structure assignments, such as determination of regio- and stereo-configurations. In the first part of this thesis, a comprehensive benchmark study of DFT chemical shift prediction methods was performed using experimental NMR data collected from 50 well curated compounds, which was referred to as the …

Photoisomerizable Membrane Active Peptides, Cristina Ventura

Seton Hall University Dissertations and Theses (ETDs)

Membrane active peptides (MAPs) bind and partition into the cell membrane thus causing permeabilization. Many α-helical membrane active peptides contain central proline residues that distinguish the hydrophobic and hydrophilic faces of the helix. The proline induces a bend that produces a helix-hinge-helix motif. Mutation of these proline residues has a significant effect on the activity of the MAP. Azobenzene is a photoisomerizable molecule that switches from its trans to cis isomer upon excitation with ultraviolet (UV) light and from its cis to trans isomer upon excitation with visible light (VL). In this work it is hypothesized that the hinge function …

Visible Light Photoacid Generator Catalyzed Michael Additions & In-Situ Photoredox Generated Carbocation Catalysis, Zena M. Salem

Seton Hall University Dissertations and Theses (ETDs)

Proton transfer is essential in many natural and chemical processes, and photoacids that undergo proton dissociation or generation upon photoirradiation can be beneficial for use in acid-sensitive reactions. This work describes the use of photoacid generators (PAGs) as tools for organic synthesis, generating strong acids upon light absorption catalyzing Michael addition reactions. Specifically, visible-light-induced PAGs were used to facilitate the 1,4-conjugate addition between indoles and vinyl ketones. Furthermore, carbocations have gained attention as Lewis acid catalysts in a variety of reactions providing good selectivity and yields. We also demonstrate the viability of in-situ photoredox-generated carbocation catalysis in the context of …

Rational Design, Synthesis And Biology Of Immunostimulatory Peptides, Nelson Casanova

Seton Hall University Dissertations and Theses (ETDs)

This dissertation reports the design, synthesis, characterization, and biological studies of three uniquely structured peptides, derived from ubiquitinated multiple myeloma proteins and ubiquitinated B7H6 ligand. The peptides were made into linear or branched shapes, with the branched peptides containing both major histocompatibility complex (MHC) class two and NKp30 binding motifs properties in one peptide. This results in an immunocytotoxic response (via cytokines and chemokines) of both natural killer cells and cytotoxic T lymphocytes (CTLs). These shapes were determined for data comparison but also to increase cytokine proliferation, the shapes help with healthy cell aviation. Thus, the linear monomer (contains a …

Surface Characterization Of Mixed-Mode Adsorbents Using Bet C-Constant Energy Scale, Dinah C. Lee

Seton Hall University Dissertations and Theses (ETDs)

Mixed-mode chromatography is a chromatographic method in which solutes interact with stationary phase through more than one interaction mode or mechanism. It is because of these multiple complex interactions, which makes it difficult to predict chromatographic behavior of analytes on Mixed-mode columns. In order to fully understand the retention mechanisms on Mixed-mode columns, the packing material properties must be well characterized since each characteristic may contribute to the overall chromatographic performance of the column. Many non-chromatographic and chromatographic techniques are available to characterize and compare Mixed-mode columns in terms of their interaction abilities, retentivity, surface chemistry, chemical properties and geometry. …