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Articles 1 - 21 of 21
Full-Text Articles in Physical Sciences and Mathematics
Film Stabilizaiton And Photophysics Of Unconventional Conjugated Polymers, Kara Martin
Film Stabilizaiton And Photophysics Of Unconventional Conjugated Polymers, Kara Martin
Doctoral Dissertations
Conjugated polymers offer a unique opportunity to develop high performing, flexible, lightweight, and large area electronic devices. With advances in conjugated polymer understanding and synthesis, the use of polymers as active layer materials in electronic applications, rather than just substrate materials, has become more promising. However, defects in morphological stability, as well as imperfect electronic understanding, are still present, limiting the use of these materials in commercializable electronics. Fundamental understanding of structure-property relationships can allow for facile synthetic solutions to major drawbacks of conjugated polymer integration in standard device architectures. Chapter 1 presents background research on the history of conjugated …
Investigating The Role Of Topological Frustration On Morphology Of Novel Multiblock Copolymers, Rohit Gupta
Investigating The Role Of Topological Frustration On Morphology Of Novel Multiblock Copolymers, Rohit Gupta
Doctoral Dissertations
Multiblock copolymers have gained considerable attention due to their ability to offer immense potential for designing soft materials with complex architectures for diverse applications. The enlarged parameter space offered by these multiblock copolymers gives access to a wide variety of multiply continuous morphologies which can be used to produce highly ordered nanostructures. The investigation on multiblock copolymers has been subjected to two critical limitations: (i) A suitable synthetic strategy for accessing these structures and (ii) computational tools which can help in application driven design of these molecules. In this dissertation, the goal was to develop methodologies for the synthesis of …
Impact Of Chemical Doping On The Thermoelectric Charge Transport Of Organic Semiconductors, Connor J. Boyle
Impact Of Chemical Doping On The Thermoelectric Charge Transport Of Organic Semiconductors, Connor J. Boyle
Doctoral Dissertations
The thermoelectric properties of organic semiconductors allow them to directly convert heat into electricity without the use of moving parts and to directly convert electricity into heat without the use of working fluids. These properties offer opportunities for the generation of electricity from non-conventional or renewable sources of heat and for refrigeration without the risk of leaking harmful working fluids at any length scale down to the nanoscale. Since organic materials are lightweight, flexible, and made from abundant resources, these opportunities could one day become affordable for widespread use and could be expanded to include specialized and otherwise difficult to …
Voltage-Driven Polyelectrolyte Complexation Inside A Nanopore, Prabhat Tripathi
Voltage-Driven Polyelectrolyte Complexation Inside A Nanopore, Prabhat Tripathi
Doctoral Dissertations
This thesis investigates how a pair of oppositely charged macromolecules can be driven by an electric field to form a polyelectrolyte complex inside a nanopore. To observe and isolate an individual complex pair, a model protein nanopore, embedded in artificial phospholipid membrane, allowing compartmentalization (cis/trans) is employed. A polyanion in the cis and a polycation in the trans compartments are subjected to electrophoretic capture by the pore. We find that the measured ionic current across the pore has a distinguishable signature of complex formation, which is different from the signature of the passage of individual molecules …
The Balance Between Dipole-Dipole Interactions And Steric Exclusion On Ordering In Cationic Polymers, Chinomso Nwosu
The Balance Between Dipole-Dipole Interactions And Steric Exclusion On Ordering In Cationic Polymers, Chinomso Nwosu
Doctoral Dissertations
Structure-property correlations in charged polymers is an interesting facet of polymer science. Understanding the effects of intermolecular forces on the morphologies of polymers can lead to the design of membranes with desired structures to improve properties, for example ion conductivity. In random, comb-shaped polycations, competing intermolecular forces result in two different short-range orderings. Side-chain steric repulsion results in backbone-backbone morphology characterized by periodic spacing between polymer backbones. However, dipole - dipole attraction in these polycations can facilitate the formation of ionomer cluster morphology characterized by a spacing between clustered dipoles. Although both of these short-range orderings have disparate origins, their …
The Dissociative Chemisorption Of Methane And Its Isotopologues On Metal Surfaces, Han Guo
The Dissociative Chemisorption Of Methane And Its Isotopologues On Metal Surfaces, Han Guo
Doctoral Dissertations
The dissociative chemisorption of small molecules on metal surfaces is an important step in many heterogeneous catalytic processes, and has received considerable scientific attention. In this thesis, a quantum approach based on the reaction path Hamiltonian is used to explore the dissociative chemisorption of methane and its deuterated isotopologues on several metal surfaces. The theoretical approach is described in Chapter 2. This approach treats all 15 degrees of freedom of the methane molecule, and includes the effects of lattice motion, allowing us to examine the translational and vibrational enhancements, mode- and bond-selectivity and the surface temperature dependence observed in experiments. …
Surface Functionalization Of Fabrics And Threads For Smart Textiles, Morgan Baima
Surface Functionalization Of Fabrics And Threads For Smart Textiles, Morgan Baima
Doctoral Dissertations
The future of electronics is moving toward wearable devices and therefore requires a shift away from hard, inflexible materials towards fibers, threads, and fabrics that conform to the shape of the body. Therefore new methods for incorporating textiles as electronic components are needed to replace conventional processing techniques used with smooth, flat substrates like glass, silicon, and many polymers. Toward this end, this work investigates different methods that can be used to tune textile surfaces for electronic functionality, including weaving, solution grafting, and initiated chemical vapor deposition (iCVD). While all of these methods were used to make triboelectrically-active textiles, iCVD …
Combined Spectroscopic And Scanning Probe Studies Of Electronic Interactions In Nanostructured 1d And 2d Semiconductors, Peijian Wang
Combined Spectroscopic And Scanning Probe Studies Of Electronic Interactions In Nanostructured 1d And 2d Semiconductors, Peijian Wang
Doctoral Dissertations
This dissertation includes the exploration about the following research questions: 1. What is the correlation between the work function and ground state interactions in organic semiconductor assemblies? 2. How do non-covalent chemical doping tune the work function in MoS2? 3. Are there surface charges in the Aluminum doped ZnO nanocrystals (AZO) and what's the evolution of the surface charges and polarizabilities from undoped AZO to doped AZO? 4. How is the homogeneity like during doping in the organic thermoelectric materials? The techniques we employed in the research is the spatially registered Kelvin Probe Force Microscopy and Photoluminescence spectroscopy …
Novel Mass Spectrometry Methods For The Analysis Of Covalent And Non-Covalent Protein Structures And Their Influence On The Functions Of Therapeutic Proteins, Jake Pawlowski
Doctoral Dissertations
Biotherapeutics consist of biopolymers (proteins, polysaccharides, DNA, and RNA) that are used to treat a wide range of conditions from cancer to autoimmune disease to enzyme replacement. In recent years biotherapeutics have experience tremendous growth due to advances in technology and our understanding of human biology. They are very important to modern medicine due to their ability to treat diseases which are unable to be treated with small molecule-based drugs. Unlike small molecule drugs which are synthetically produced, biotherapeutics are expressed inside cells. Produced biotherapeutics are not made up of a single homogenous population but instead a population of highly …
Photofragment Imaging Fast Ion Beams, Michael D. Johnston Jr.
Photofragment Imaging Fast Ion Beams, Michael D. Johnston Jr.
Doctoral Dissertations
Metal-containing ions have been the subject of much research due to their roles in catalytic activation and small cluster chemistries. However, they can be difficult to study both experimentally and theoretically, and new approaches are needed. The goal of the research described here is to characterize the electronic structures and thermodynamics of metal-containing ions using gas-phase spectroscopy experiments performed on a powerful new instrument. Presented in the following chapters are the details of a recently built velocity map imaging mass spectrometer that is capable of imaging the photofragments of trap-cooled (≥7K) ions produced in a versatile ion source. This instrument …
Gas-Surface Interactions: Reactive And Non-Reactive Scattering, Azar Farjamnia
Gas-Surface Interactions: Reactive And Non-Reactive Scattering, Azar Farjamnia
Doctoral Dissertations
The adsorption and dissociation of small molecules on metal surfaces are key steps in many industrial reactions. A detailed understanding of the dynamics of these reactions provides us with the ability to control the outcome and efficacy of the reactions. The molecule-metal interactions will lead to reorientation, energy redistribution, or bond dissociation in the molecule. The process is strongly depending upon the initial conditions, i. e. the incident energy and vibrational state of the molecule, and the surface temperature. We use a fully quantum approach to compute the dissociative sticking probability of the molecules at zero overage, on the surface …
Polymeric Peptide Mimics For Protein Delivery, Coralie Backlund
Polymeric Peptide Mimics For Protein Delivery, Coralie Backlund
Doctoral Dissertations
The plasma membrane is a major obstacle in the development and use of biomacromolecules for intracellular applications. Consequently, proteins with intracellular targets represent an enormous, yet under studied avenue for therapeutics. Extended research has aimed at facilitating intracellular delivery of exogenous proteins using protein transduction domains (PTDs), which allow transport of bioactive molecules into cells. Synthetic polymers, inspired by PTDs, provide a well-controlled platform to vary molecular architecture for structure activity relationship studies. Specifically, this thesis focuses on the use of ring-opening metathesis, a facile and efficient polymerization technique, through which we can vary structural parameters to optimize delivery of …
Effects Of Floral Phytochemicals On Growth And Evolution Of A Parasite Of Bumble Bees, Evan Palmer-Young
Effects Of Floral Phytochemicals On Growth And Evolution Of A Parasite Of Bumble Bees, Evan Palmer-Young
Doctoral Dissertations
Background: Nectar and pollen are rich in phytochemicals, some of which can reduce disease in pollinators, including agriculturally important honey and bumble bees. Floral phytochemicals could influence the ecological and evolutionary relationships between plants, their pollinators, and parasites that cause pollinator disease. Antiparasitic effects of phytochemicals could be exploited to ameliorate pollinator disease and decline, and thereby sustain pollinator-dependent agricultural production. However, prior studies showed variable effects of phytochemicals on infection in live bees, where differences in bee genotype, abiotic conditions, and parasite strain could influence results. Approach: I used cell cultures of the intestinal trypanosome parasite of bumble bees, …
Synthesis Of Novel Zwitterionic Polymers: From Functional Surfactants To Therapeutics, Matthew Skinner
Synthesis Of Novel Zwitterionic Polymers: From Functional Surfactants To Therapeutics, Matthew Skinner
Doctoral Dissertations
This dissertation describes the synthesis, characterization, and investigation of novel zwitterionic polymers containing phosphorylcholine (PC), sulfobetaine (SB), and functional choline phosphate (CP) zwitterions for use as surfactants, self-assembled nanomaterials, and therapeutics. Facile, reproducible, and modular chemistries were utilized for incorporating zwitterions into a range of polymer backbones, and strategies were developed for overcoming difficult challenges encountered in zwitterionic polymer synthesis, especially related to the varying solubility of zwitterions, hydrophobic polymers, and functional comonomers. Synthetic strategies utilized in this work give access to well-defined materials with narrow molecular weight distributions, tunable compositions and architectures, and versatile chemical functionality. Chapter 2 describes …
The Molecular Basis Of Caspase-9 Inactivation By Pka And C-Abl Kinases, Banyuhay Paningbatan Serrano
The Molecular Basis Of Caspase-9 Inactivation By Pka And C-Abl Kinases, Banyuhay Paningbatan Serrano
Doctoral Dissertations
Caspases are the cysteine proteases that facilitate the fundamental pathway of programmed cell death or apoptosis. The activation and function of these powerful enzymes are tightly regulated to ensure the faithful execution of apoptosis and prevent untimely cell death. Many deadly human diseases such as cancer, neurodegeneration and autoimmune disorders have been associated with defective activation and faulty regulation of caspases. As such, caspases are considered as attractive drug targets, which when properly controlled, can lead to effective therapeutics for apoptosis-related diseases. Thus, comprehensive investigations of the structure, function and regulation of caspases are necessary to understand the complex mechanisms …
Study Of Self-Assembly And Stimuli Responsive Behavior In Polymeric And Dendritic Amphiphiles, Poornima Rangadurai
Study Of Self-Assembly And Stimuli Responsive Behavior In Polymeric And Dendritic Amphiphiles, Poornima Rangadurai
Doctoral Dissertations
Natural processes are intricately detailed and able to convert molecular-level events into macroscopic or visually observable properties. This is made possible through multiple interactions at the molecular level, signaling due to covalent and non-covalent interactions, and supramolecular networks that rely on dynamic, non-equilibrium structures. Detailing processes in this manner is the current quest for material science research and designing materials for this purpose is usually via a key process known as self-assembly. Self-assembly is a process in which a material with varied components organizes itself into a particular pattern due to various specific inter and intra molecular interactions. By understanding …
Formulation And Characterization Of Lipogels As A Tunable Delivery Scaffold, Celia Homyak
Formulation And Characterization Of Lipogels As A Tunable Delivery Scaffold, Celia Homyak
Doctoral Dissertations
Nanomedicines within the clinic commonly utilize lipid-based scaffolds due to their aqueous assembly and non-covalent dual-guest loading capabilities. Nevertheless, poor stability in vivo and premature guest release remains a challenge with these systems. Polymeric nanomaterials are a popular alternative due to their good stability in vivo with controllable guest release. A caveat to polymeric scaffolds though, is the excess synthetic effort involved for non-covalent dual-drug encapsulation. Benefit lies in harnessing advantages of lipid and polymeric materials via lipid-polymer hybrid scaffold. Such materials have promise due to their dual-encapsulation and dual-stimuli-sensitive characteristics. The need to better understand these materials led us …
Design And Synthesis Of Stimuli-Responsive Polymeric Nanogels Towards Therapeutic Translation, Mallory R. Gordon
Design And Synthesis Of Stimuli-Responsive Polymeric Nanogels Towards Therapeutic Translation, Mallory R. Gordon
Doctoral Dissertations
In the application of delivery of therapeutics, nanostructures of various composition have been employed due to their capacity to act as a host for lipophilic payloads. Advances in the synthetic preparation, size, morphology, and chemical or physical characteristics of polymers have impacted their development and versatility. A detailed understanding of polymeric nanoparticle host-guest properties is crucial to their practical translation to specific delivery applications. Further, these features must be highly tailorable to overcome biological barriers, stably encapsulate their therapeutic contexts, and exhibit payload release selectively in the target environment. In this dissertation, we aim to rationally design polymeric nano-scale assemblies …
Molecular Design, Characterization, And Implementation Of Organic Semiconducting Oligothiophenes, Benjamin Cherniawski
Molecular Design, Characterization, And Implementation Of Organic Semiconducting Oligothiophenes, Benjamin Cherniawski
Doctoral Dissertations
This work describes new self-assembly strategies and realizes new directions for rational side chain design in organic semiconductors. I examined the synthesis and structure property relations of monomers and dimers of a benchmark organic semiconductor system using a variety of linear alkyl side chains. I observed critical onsets for packing trends based on alkyl side chain length in both monomers and dimers. Monomer systems exhibited a pronounced even-odd effect manifesting directly from side chain length. In the dimer systems, I observed spontaneous bimolecular crystal formation with PC61BM which undergoes an order-to-disorder transition at small side chain lengths. Combining …
Light-Harvesting And Light-Responsive Materials For Optoelectronic And Biological Applications, Youngju Bae
Light-Harvesting And Light-Responsive Materials For Optoelectronic And Biological Applications, Youngju Bae
Doctoral Dissertations
In photodynamic therapy, several critical standards are required of photosensitizers including high singlet oxygen quantum yield, biocompatibility in dark, and long term photochemical stability. In addition, current PDT systems lack active targeting strategies to tumor cells, and instead mainly rely on the natural distribution of PS in the body following injection and application of near-infrared light treatment in the tumor region. This thesis describes a series of BODIPY-based molecules that were designed, synthesized and studied as photosensitizers with high singlet oxygen generation capacity through utilizing the heavy atom effect. Additionally, aqueous solubility and active targeting capability were introduced by photosensitizer …
Spectroscopic Studies Of Gas-Phase Metal Cation Complexes With Alkanes And Ammonia, Muhammad Affawn Ashraf
Spectroscopic Studies Of Gas-Phase Metal Cation Complexes With Alkanes And Ammonia, Muhammad Affawn Ashraf
Doctoral Dissertations
Understanding the non-covalent interaction between metals and small ligands such as methane and ammonia is of key importance because of their industrial and biological applications. However, these interactions are difficult to study and quantify in the bulk phase due to the interaction with neighboring molecules or atoms. Gas phase spectroscopy of mass-selected clusters is a powerful technique that overcomes this challenge by allowing clusters with known composition to be studied in the gas phase. In this thesis, we investigate the interaction between three types of small molecular ligands with metal and metal cluster ions, and answer questions about their geometries …