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Articles 1 - 23 of 23
Full-Text Articles in Physical Sciences and Mathematics
Fluorescence Spectroscopy And Microscopy Studies Of Chromophore Coupling In Isolated Small Molecule Nanostructures, Sarah R. Marques
Fluorescence Spectroscopy And Microscopy Studies Of Chromophore Coupling In Isolated Small Molecule Nanostructures, Sarah R. Marques
Doctoral Dissertations
My thesis focused on understanding the structural changes producing different spectral signatures seen in aggregates of 7,8,15,16- tetrazaterrylene (TAT). Recent work from our group showed crystallographically selective directional charge-separation within isolated extended TAT crystals without the need of an interface. Aggregates of different size not only exhibited different exciton recombination kinetics, but different spectral signatures. The motivation for understanding the change in the structural properties producing the unique spectral signatures is elucidating the mechanism of this directional charge-separation, intrinsic or extrinsic. In this case, an intrinsic mechanism means it is caused by molecular design and packing, and extrinsic mechanism means …
Characterization Of Β-2-Microglobulin Pre-Amyloid Oligomers And Their Role In Amyloid Inhibition, Tyler M. Marcinko
Characterization Of Β-2-Microglobulin Pre-Amyloid Oligomers And Their Role In Amyloid Inhibition, Tyler M. Marcinko
Doctoral Dissertations
In dialysis patients, β-2 microglobulin (β2m) can aggregate and eventually form amyloid fibrils in a condition known as dialysis-related amyloidosis, which deleteriously affects joint, bone, and organ function, and eventually causes organ failure. To understand the early stages of the amyloid assembly process, we have employed a series of biophysical tools including chromatography, spectroscopy, and most especially, native electrospray ionization (ESI) together with ion mobility mass spectrometry (IM-MS) to study soluble pre-amyloid oligomeric species. We have also collaborated and integrated computational modeling to help better understand and rationalize the structural basis behind oligomerization. Recently, several small molecules have been identified …
Protein Detection And Structural Characterization By Mass Spectrometry Using Supramolecular Assemblies And Small Molecules, Bo Zhao
Doctoral Dissertations
Mass spectrometry (MS) has played an increasingly prominent role in proteomics and structure biology because it shows superior capabilities in identification, quantification and structural characterization of proteins. To realize its full potential in protein analysis, significant progress has been made in developing innovative techniques and reagents that can couple to MS detection. This dissertation demonstrates the use of polymeric supramolecular assemblies for enhanced protein detection in complex biological mixtures by MS. An amphiphilic random co-polymer scaffold is developed to form functional supramolecular assemblies for protein/ peptide enrichment. The influences of charge density and functional group pKa on host-guest interactions …
Top-Down And Bottom-Up Fabrication Of Key Components In Miniature Energy Storage Devices, Wenhao Li
Top-Down And Bottom-Up Fabrication Of Key Components In Miniature Energy Storage Devices, Wenhao Li
Doctoral Dissertations
The advent of miniature electronic devices demands power sources of commensurate form factors. This spurs the research of micro energy storage devices, e.g., 3D microbatteries. A 3D microbattery contains nonplanar microelectrodes with high aspect ratio and high surface area, separated by a nanoscale electrolyte. The device takes up a total volume as small as 10 mm3, allowing it to serve on a chip and to provide power in-situ. The marriage of nanotechnology and electrochemical energy storage makes microbattery research a fascinating field with both scientific excitement and application prospect. However, successful fabrication of well-functioned key components …
Providing Molecular Insight For Understanding Anion Exchange Membrane Conductivity, Michael Kwasny
Providing Molecular Insight For Understanding Anion Exchange Membrane Conductivity, Michael Kwasny
Doctoral Dissertations
Anion exchange membranes (AEMs) are notorious for having both low alkaline stability and poor ion conductivity in fuel cell operation conditions, with solutions to these two challenges often being developed independent of each other. The chemical instability of an AEM is viewed through degradation of the polymer backbone and the cationic species and improving a material’s stability is approached by altering the polymer backbone, the cation, or both. On the other hand, poor ion conductivity is typically addressed by modifying bulk membrane properties such as increasing the ion exchange capacity (IEC), changing the morphology, or increasing the water uptake. These …
Model-Form Uncertainty Quantification For Predictive Probabilistic Graphical Models, Jinchao Feng
Model-Form Uncertainty Quantification For Predictive Probabilistic Graphical Models, Jinchao Feng
Doctoral Dissertations
In this thesis, we focus on Uncertainty Quantification and Sensitivity Analysis, which can provide performance guarantees for predictive models built with both aleatoric and epistemic uncertainties, as well as data, and identify which components in a model have the most influence on predictions of our quantities of interest. In the first part (Chapter 2), we propose non-parametric methods for both local and global sensitivity analysis of chemical reaction models with correlated parameter dependencies. The developed mathematical and statistical tools are applied to a benchmark Langmuir competitive adsorption model on a close packed platinum surface, whose parameters, estimated from quantum-scale computations, …
Designing Ion-Containing Polymers With Controlled Structure And Dynamics, Joshua Enokida
Designing Ion-Containing Polymers With Controlled Structure And Dynamics, Joshua Enokida
Doctoral Dissertations
Ion-containing polymers are a unique class of materials for which strong electrostatic interactions dictate physical properties. By altering molecular parameters, such as the backbone chemical structure, the ion content, and the ion-pair identity, the structure and dynamics of these polymers can be altered. Further investigation of the molecular parameters that govern their structure-property relationships is critical for the future development of these polymeric materials. Particularly, the incorporation of ammonium-based counterions into these polymers offers a facile method to tune their electrostatic interactions and hydrophobicity. Applying this concept, a bulky dimethyloctylammonium (DMOA) counterion was used to modify the organic solubility of …
Double-Network Materials Via Frontal Polymerization & Supercritical Co2 Processing, Matthew Joseph Lampe
Double-Network Materials Via Frontal Polymerization & Supercritical Co2 Processing, Matthew Joseph Lampe
Doctoral Dissertations
This dissertation presents work focused on producing materials in non-equilibrium states by taking advantage of novel processing techniques. First, epoxy-based resins which can undergo radically promoted, cationic, thermal, frontal polymerization are investigated for their potential use as adhesives. These resins are found to be capable of sustaining propagating polymerization fronts between several different substrate materials, resulting in high levels of adhesion in some cases. In addition, a similar frontal resin was developed that can undergo sequential gelation and frontal polymerization. The gels are formed by radically crosslinking acrylate monomers within the epoxy resin. These gels can then be manipulated, and …
Reactive And Stimuli-Responsive Sulfonium-Based Polymer Zwitterions, Cristiam Santa Chalarca
Reactive And Stimuli-Responsive Sulfonium-Based Polymer Zwitterions, Cristiam Santa Chalarca
Doctoral Dissertations
This dissertation describes the synthesis and characterization of novel monomers and (co)polymer zwitterions that incorporate trialkylsulfonium cations. The novel materials presented herein constitute a unique type of polymer zwitterions that exhibit salt- and temperature-dependent water solubility as well as inherent reactivity. The behavior of these polymers in aqueous solutions, as nanostructures, and at liquid-liquid interfaces was studied; in all cases, the inherent reactivity of the polymers was harnessed towards the fabrication of novel polymers and soft materials. Following an introductory chapter, Chapter 2 describes the synthesis of sulfonium sulfonate monomers and polymer zwitterions. Both styrenic and methacrylic monomers were synthesized …
Synthesis Of Magnetic Ion Doped Ii-Vi Benzenechalcogenolate Molecular Clusters, Fumitoshi Kato
Synthesis Of Magnetic Ion Doped Ii-Vi Benzenechalcogenolate Molecular Clusters, Fumitoshi Kato
Doctoral Dissertations
Diluted magnetic semiconductor quantum dots (DMS-QDs) is a class of material prepared by introducing a small percentage of magnetic impurities to impart new magneto-optical properties to the host nanocrystal (NC). Such materials are regarded as promising candidates for their potential application in spintronic devices. The overall functionality of the DMS‑QD is highly dependent on the dopant position within the host structure. A thorough understanding of the doping mechanism is, therefore, critical to gain better control over the dopant speciation in nanocrystal lattice and material properties. In this work, we utilized II‑VI molecular clusters that are analogous to bulk semiconductors as …
Modulating Dopant-Defect Interactions In Transition Metal Doped Colloidal Strontium Titanate Nanocrystals, William Harrigan
Modulating Dopant-Defect Interactions In Transition Metal Doped Colloidal Strontium Titanate Nanocrystals, William Harrigan
Doctoral Dissertations
Perovskites such as strontium titanate, a wide band gap semiconductor have been widely studied due to the multitude of potential applications in photocatalysis, multiferroics, sensing, and microelectronics. Various novel optical, electrical and magnetic properties can be imparted through the introduction of different transition metal dopant ions. The introduction of these impurities has been shown to impart functionality for various applications. The use of Cr3+has been shown to introduce defect levels into the band structure of SrTiO3and increase visible light utilization for photocatalysis. Transition metal doped highly crystalline colloidal SrTiO3nanocrystals (NC) were synthesized using two …
Simulating Hydrogen Bonded Clusters And Zeolite Clusters For Renewable Energy Applications, Qinfang Sun
Simulating Hydrogen Bonded Clusters And Zeolite Clusters For Renewable Energy Applications, Qinfang Sun
Doctoral Dissertations
Our research attention is focused on the development of new fuel cell membrane materials and new zeolites which improve biomass conversion rate to meet the increasing demand of renewable and sustainable energy. We have simulated the dynamics of amphiprotic groups (pyrazole, imidazole, 1,2,3-triazole, 1,2,4-triazole, and tetrazole, acetic acid, formic acid, sulfuric acid, and phosphoric acid) as neat liquids and tethered via linkers to aliphatic backbones, to determine how tethering and varying functional groups affect hydrogen bond networks and reorientation dynamics, both factors thought to influence proton conduction. We used the DL_Poly_2 molecular dynamics code with the GAFF force field to …
Multiscale Simulations Of Intrinsically Disordered Proteins, Xiaorong Liu
Multiscale Simulations Of Intrinsically Disordered Proteins, Xiaorong Liu
Doctoral Dissertations
Intrinsically disordered proteins (IDPs) lack stable secondary and/or tertiary structures under physiological conditions. The have now been recognized to play important roles in numerous biological processes, particularly cellular signaling and regulation. Mutation of IDPs are frequently associated with human diseases, such as cancers and neuron degenerative diseases. Therefore, it is important to understand the structure, dynamics, and interactions of IDPs, so as to establish the mechanistic basis of how intrinsic disorder mediates versatile functions and how such mechanisms may fail in human diseases. However, the heterogeneous structural ensembles of IDPs are not amenable to high resolution characterization solely through experimental …
Design, Synthesis And Study Of Functional Amphiphilic Polymers And Their Applications, Huan He
Design, Synthesis And Study Of Functional Amphiphilic Polymers And Their Applications, Huan He
Doctoral Dissertations
Amphiphilic homopolymers with high densities of functional groups are synthetically challenging. Thiol-yne nucleophilic click reactions have been investigated to introduce multiple functional groups in polymers with high density. An electron deficient alkyne group bearing methacrylate monomer was polymerized using reversible addition−fragmentation chain-transfer (RAFT) polymerization. Subsequently, the electron deficient alkyne group on polymer side chain was readily reacted with a thiol reagent using triethylamine (TEA) as the organocatalyst. This reaction was found to be very efficient under mild conditions. The resultant homopolymer bearing thiol vinyl ether functional groups could perform a second thiol addition with a stronger base, such as triazabicyclodecene(TBD), …
Modification Of 2d Materials Utilizing Functional Polymer Interfacial Layers, Ryan Selhorst
Modification Of 2d Materials Utilizing Functional Polymer Interfacial Layers, Ryan Selhorst
Doctoral Dissertations
This dissertation describes the modification of 2D transition metal dichalcogenides (TMDCs). These materials exhibit unique electronic properties, ranging from metallic to insulating, and can transport either electrons (n-type) or holes (p-type). Polymers containing electronically-active moieties offer a path to control the electronic properties of a 2D material without altering the inherent structure of the semiconductor. This dissertation focuses on the synthesis of polymers bearing chalcogen-rich or zwitterionic moieties to alter the electronic and solution properties of 2D materials. Chapter 2 describes polymers containing sulfur-rich tetrathiafulvalene (TTF) and their effects as electroactive coatings on the TMDC molybdenum disulfide (MoS2). …
Bio-Inspired Polymers That Bind And Deliver Protein Cargo, Nicholas D. Posey
Bio-Inspired Polymers That Bind And Deliver Protein Cargo, Nicholas D. Posey
Doctoral Dissertations
Delivering functional proteins and antibodies into cells can allow researchers to probe the intracellular environment, discover new cellular pathways, and pioneer new therapeutics. However, the entry of exogenous, charged molecules, like proteins, into the cell is usually restricted by the membrane, thereby hindering intracellular delivery. Membrane permeable molecules such as cell penetrating peptides (CPPs) and protein transduction domains (PTDs) can be used to bypass the cell membrane and deliver protein into the cell, but these peptides involve iterative and laborious syntheses and are limited in terms of their chemical diversity. This dissertation work overall focuses on the design and synthesis …
Enhanced Mass Spectrometric Analysis Of Peptides And Proteins Using Polymeric Reverse Micelles, Mahalia Adelina Corazon Paningbatan Serrano
Enhanced Mass Spectrometric Analysis Of Peptides And Proteins Using Polymeric Reverse Micelles, Mahalia Adelina Corazon Paningbatan Serrano
Doctoral Dissertations
Mass spectrometry (MS) has become a key and indispensable tool in the identification, characterization, and quantitative analysis of proteins owing to its universality, sensitivity, specificity, and its capability for multiplexed detection. Because biological samples containing these protein analytes are almost always complex systems, various techniques are employed in conjunction with MS to fully harness its analytical potential and enhance its detection capabilities. This dissertation explores the use of amphiphilic polymeric reverse micelles in enriching proteins and peptides from complex biological mixtures and in enhancing their mass spectrometric analysis. Fundamental studies that elucidate the molecular basis for the observed MS signal …
Synthesis And Molecular Transport Studies In Zeolites And Nanoporous Membranes, Vivek Vattipalli
Synthesis And Molecular Transport Studies In Zeolites And Nanoporous Membranes, Vivek Vattipalli
Doctoral Dissertations
The advent of nanoporous materials such as zeolites and nanoporous membranes has provided cost-effective solutions to some of the most pressing problems of the 20th century such as the conversion of crude oil into fuels and valuable chemicals. Hierarchical zeolites and mesoporous inorganic membranes are showing great promise in addressing new problems such as the conversion of biomass into value-added chemicals and development of energy-efficient separation processes. The synthesis and fundamental aspects of molecular transport in these new materials with hierarchical porosities need to be better understood in order to rationally develop them for these desired applications. Pore narrowing …
Precipitation And Coacervation In Polyelectrolyte-Colloid Systems, Fatih Comert
Precipitation And Coacervation In Polyelectrolyte-Colloid Systems, Fatih Comert
Doctoral Dissertations
Complex coacervation between oppositely charged polyelectrolytes (PEs) and colloids (i.e. micelles and proteins) has increasingly become popular due to the use of these materials in a range of applications including but not limited to personal care, biomaterials, protein purification, and food science. In taking advantage of complex coacervation, which is a liquid-liquid phase separation, precipitation has always represented a problem by introducing inhomogeneities, irreversibility and irreproducible kinetics. Therefore, understanding the dominant factors driving the formation of precipitates is important to control outcomes. In this work, we have performed comparative studies of coacervation and precipitation in model PE-colloid systems to investigate …
Design And Self-Assembly Of Responsive Scaffolds For Food And Sensing Applications, Uma Sridhar
Design And Self-Assembly Of Responsive Scaffolds For Food And Sensing Applications, Uma Sridhar
Doctoral Dissertations
Developing an understanding of how molecules, materials and complex systems contribute to biological functions is important since the interpretation of such mechanisms paves the way to further the development of materials that replicate natural functions or impart the observed properties to synthetic materials. The self-assembly of stimuli-responsive scaffolds based on micelles, liposomes, hydrogels and thin films has been of considerable interest. These systems need to be endowed with certain design features which influence the self-assembly and the responsiveness of the scaffold when subjected to external stimuli which could be physical, chemical or biological in nature. This kind of insight is …
Amphiphilic Assemblies With Responsive Characteristics At Surfaces And Interfaces, Piyachai Khomein
Amphiphilic Assemblies With Responsive Characteristics At Surfaces And Interfaces, Piyachai Khomein
Doctoral Dissertations
Amphiphilic self-assembly has gained a lot of interest in both academic and industrial fields. Amphiphiles have a unique ability to self-assemble in water, providing a range of nanosized materials of various morphologies. Many efforts have been dedicated to developing responsive amphiphilic assemblies by introducing responsive characteristics into the amphiphile building blocks. Responsive assemblies have been utilized in many promising applications such as targeted drug delivery systems, smart sensors, and electronic devices. Here, we reported four different types of responsive assemblies created via the incorporation of different responsive groups either at the material’s surface or interface. To achieve the responsive characteristics …
Solar Cells, D. Venkataraman
Solar Cells, D. Venkataraman
Science and Engineering Saturday Seminars
Solar cells convert the sun's energy into electrical energy. In this workshop, I will discuss the processes involved in solar cell and various types of solar cells that are being developed as an alternative to silicon solar cells. I will also demonstrate how students can build a solar cell from readily available materials.
Source Data For "Tuning Charge Transport Dynamics Via Clustering Of Doping In Organic Semiconductor Thin Films", Connor J. Boyle, Meenakshi Upadhyaya, Dhandapani Venkataraman, Zlatan Aksamija, Michael Lu-Díaz
Source Data For "Tuning Charge Transport Dynamics Via Clustering Of Doping In Organic Semiconductor Thin Films", Connor J. Boyle, Meenakshi Upadhyaya, Dhandapani Venkataraman, Zlatan Aksamija, Michael Lu-Díaz
Data and Datasets
No abstract provided.