Engineering Commons^™

Molecular Dynamics Modeling Of Polymers For Aerospace Composites, Swapnil Sambhaji Bamane

Dissertations, Master's Theses and Master's Reports

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Polymer matrix composite materials are widely used as structural materials in aerospace and aeronautical vehicles. Resin/reinforcement wetting and the effect of polymerization on the thermo-mechanical properties of the resin are key parameters in the manufacturing of aerospace composite materials. Determining the contact angle between combinations of liquid resin and reinforcement surfaces is a common method for quantifying wettability. It is challenging to determine contact angle values experimentally of high-performance resins on CNT materials such as CNT, graphene, bundles or yarns, and BNNT surfaces. It is also experimentally difficult to determine the effect of polymerization reaction on material properties of a …

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Predicting The Reactivities And Reaction Mechanisms Of Photochemically Produced Reactive Intermediates, Benjamin Barrios Cerda

Dissertations, Master's Theses and Master's Reports

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Photochemically produced reactive intermediates (PPRIs) such as the hydroxyl radical, carbonate radical (CO₃^•-) singlet oxygen (¹O₂) and triplet state of chromophoric dissolved organic matter (³CDOM^*) are formed in sunlit natural waters upon photoexcitation of chromophoric dissolved organic matter (CDOM). PPRIs react with the organic compounds involved in key environmental processes, resulting in transformation products of smaller molecular weight than their parent compounds. Photochemical transformation of these key water constituents due to their reactions with PPRIs may pose potential effects on human and aquatic ecosystems. Consequently, there is a need …

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Chemical Decomposition Of Flexible Polyurethane Foam To Generate A Media For Microbial Upcycling, Kaushik Baruah

Dissertations, Master's Theses and Master's Reports

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Polyurethane waste is becoming a global concern as a large amount is being disposed of in landfills every year, and only a fraction is being recycled. Several polyurethane recycling techniques exist, of which ammonolysis and base-catalyzed hydrolysis is the least explored. Flexible polyurethane foam (FPUF) decomposition can generate amines that can act as a carbon source for the growth of microbial consortia. This study aims to generate a novel media capable of microbial upcycling via ammonolysis and base-catalyzed hydrolysis of flexible polyurethane foams (FPUFs) using ammonium hydroxide and subsequently determine the reaction conditions for maximum solubilization of polyurethane foam in …

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Water-Soluble Saponins Accumulate In Drought-Stressed Switchgrass And May Inhibit Yeast Growth During Bioethanol Production, Sarvada Hemant Chipkar, Katherine Smith, Elizabeth M. Whelan, Derek J. Debrauske, Annie Jen, Katherine A. Overmyer, Andrea Senyk, Larkin Hooker-Moericke, Marissa Gallmeyer, Joshua J. Coon, A. Daniel Jones, Trey K. Sato, Rebecca G. Ong

Michigan Tech Publications

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Background: Developing economically viable pathways to produce renewable energy has become an important research theme in recent years. Lignocellulosic biomass is a promising feedstock that can be converted into second-generation biofuels and bioproducts. Global warming has adversely affected climate change causing many environmental changes that have impacted earth surface temperature and rainfall patterns. Recent research has shown that environmental growth conditions altered the composition of drought-stressed switchgrass and directly influenced the extent of biomass conversion to fuels by completely inhibiting yeast growth during fermentation. Our goal in this project was to find a way to overcome the microbial inhibition and …

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The Photo-Transformation Of Free Methionine In The Presence Of Surrogate And Standard Isolate Dissolved Organic Matter Under Sunlit Irradiation, Benjamin J. Mohrhardt

Dissertations, Master's Theses and Master's Reports

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Sulfur (S)-containing amino acids are key sources of carbon, nitrogen, and sulfur involved in protein synthesis, protein function, and providing energy for microbial growth. Dissolved free and combined methionine is one of two S-containing amino acids incorporated into proteins and has been attributed to their stability and function. The oxidation of methionine has received considerable attention given its ubiquitous presence in most biological systems and has been associated with losses in protein function and pathological disorders. In natural waters, methionine is rapidly and selectively taken up by microorganisms to achieve cellular requirements of carbon, nitrogen, and sulfur. The abiotic transformation …

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Hydrochloric Acid Modification And Lead Removal Studies On Naturally Occurring Zeolites From Nevada, New Mexico, And Arizona, Garven M. Huntley, Rudy Luck, Michael Mullins, Nick Newberry

Michigan Tech Publications

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Four naturally occurring zeolites were examined to verify their assignments as chabazites AZLB-Ca and AZLB-Na (Bowie, Arizona) and clinoptilolites NM-Ca (Winston, New Mexico) and NV-Na (Ash Meadows, Nevada). Based on powder X-ray diffraction, NM-Ca was discovered to be mostly quartz with some clinoptilolite residues. Treatment with concentrated HCl (12.1 M) acid resulted in AZLB-Ca and AZLB-Na, the chabazite-like species, becoming amorphous, as confirmed by powder X-ray diffraction. In contrast, NM-Ca and NV-Na, which are clinoptilolite-like species, withstood boiling in concentrated HCl acid. This treatment removes calcium, magnesium, sodium, potassium, aluminum, and iron atoms or ions from the framework while leaving …

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Multi-Level Analysis Of Atomic Layer Deposition Barrier Coatings On Additively Manufactured Plastics For High Vacuum Applications, Nupur Bihari

Dissertations, Master's Theses and Master's Reports

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While hardware innovations in micro/nano electronics and photonics are heavily patented, the rise of the open-source movement has significantly shifted focus to the importance of obtaining low-cost, functional and easily modifiable research equipment. This thesis provides a foundation of open source development of equipment to aid in the micro/nano electronics and photonics fields.

First, the massive acceptance of the open source Arduino microcontroller has aided in the development of control systems with a wide variety of uses. Here it is used for the development of an open-source dual axis gimbal system. This system is used to characterize optoelectronic properties of …

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Antibacterial Properties Of Mussel-Inspired Polydopamine Coatings Prepared By A Simple Two-Step Shaking-Assisted Method, Pegah Kord Fooroshani, Elizabeth Polega, Kevin Thomson, Mohammad Saleh Akram Bhuiyan, Rattapol Pinnaratip, Mikhail Trought, Chito E. Kendrick, Yuesheng Gao, Kahryn Perrine, Lei Pan, Bruce P. Lee

Michigan Tech Publications

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A simple two-step, shaking-assisted polydopamine (PDA) coating technique was used to impart polypropylene (PP) mesh with antimicrobial properties. In this modified method, a relatively large concentration of dopamine (20 mg ml⁻¹) was first used to create a stable PDA primer layer, while the second step utilized a significantly lower concentration of dopamine (2 mg ml⁻¹) to promote the formation and deposition of large aggregates of PDA nanoparticles. Gentle shaking (70 rpm) was employed to increase the deposition of PDA nanoparticle aggregates and the formation of a thicker PDA coating with nano-scaled surface roughness (RMS = 110 …

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Printing 3d Models For Chemistry: A Step-By-Step Open-Source Guide For Hobbyists, Corporate Professionals, And Educators And Students In K-12 And Higher Education, Elisabeth Grace Billman-Benveniste, Jacob Franz, Loredana Valenzano-Slough

Open Access Books

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3D-printing is a relatively inexpensive additive manufacturing method used to create tangible objects. As a relatively new technology, the true capability of 3D-printing has not yet been fully exploited, especially in academic and research/teaching settings. Through this work, 3D-printing in a classroom and research environment is employed as a tool for creation of fully customizable, three-dimensional molecular models and for the visualization of theoretical abstract concepts.

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Spontaneous Selective Deposition Of Iron Oxide Nanoparticles On Graphite As Model Catalysts, Chathura De Alwis, Timothy Leftwich, Pinaki Mukherjee, Alex Denofre, Kahryn Perrine

Michigan Tech Publications

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Iron oxide nanomaterials participate in redox processes that give them ideal properties for their use as earth-abundant catalysts. Fabricating nanocatalysts for such applications requires detailed knowledge of the deposition and growth. We report the spontaneous deposition of iron oxide nanoparticles on HOPG in defect areas and on step edges from a metal precursor solution. To study the nucleation and growth of iron oxide nanoparticles, tailored defects were created on the surface of HOPG using various ion sources that serve as the target sites for iron oxide nucleation. After solution deposition and annealing, the iron oxide nanoparticles were found to nucleate …

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Metabolism-Driven High-Throughput Cancer Identification With Glut5-Specific Molecular Probes, Srinivas Kannan, Vagarshak Begoyan, Joseph Fedie, Shuai Xia, Łukasz J. Weseliński, Marina Tanasova, Smitha Rao

Michigan Tech Publications

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Point-of-care applications rely on biomedical sensors to enable rapid detection with high sensitivity and selectivity. Despite advances in sensor development, there are challenges in cancer diagnostics. Detection of biomarkers, cell receptors, circulating tumor cells, gene identification, and fluorescent tagging are time-consuming due to the sample preparation and response time involved. Here, we present a novel approach to target the enhanced metabolism in breast cancers for rapid detection using fluorescent imaging. Fluorescent analogs of fructose target the fructose-specific transporter GLUT5 in breast cancers and have limited to no response from normal cells. These analogs demonstrate a marked difference in adenocarcinoma and …

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A Model To Predict Concentrations And Uncertainty For Mercury Species In Lakes, Ashley Hendricks

Dissertations, Master's Theses and Master's Reports

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To increase understanding of mercury cycling, a seasonal mass balance model was developed to predict mercury concentrations in lakes and fish. Results indicate that seasonality in mercury cycling is significant and is important for a northern latitude lake. Models, when validated, have the potential to be used as an alternative to measurements; models are relatively inexpensive and are not as time intensive. Previously published mercury models have neglected to perform a thorough validation. Model validation allows for regulators to be able to make more informed, confident decisions when using models in water quality management. It is critical to quantify uncertainty; …

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Wildfire Emissions In The Context Of Global Change And The Implications For Mercury Pollution, Aditya Kumar

Dissertations, Master's Theses and Master's Reports

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Wildfires are episodic disturbances that exert a significant influence on the Earth system. They emit substantial amounts of atmospheric pollutants, which can impact atmospheric chemistry/composition and the Earth’s climate at the global and regional scales. This work presents a collection of studies aimed at better estimating wildfire emissions of atmospheric pollutants, quantifying their impacts on remote ecosystems and determining the implications of 2000s-2050s global environmental change (land use/land cover, climate) for wildfire emissions following the Intergovernmental Panel on Climate Change (IPCC) A1B socioeconomic scenario.

A global fire emissions model is developed to compile global wildfire emission inventories for major atmospheric …

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Influence Of Magnetic Nanoparticles And Magnetic Stress On An Ionic Liquid Electrospray Source, Kurt Joseph Terhune

Dissertations, Master's Theses and Master's Reports

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Two electrospray sources were developed to operate on an ionic liquid ferrofluid; one source was a pressure‑fed capillary electrospray source and the other was a novel electrospray source which used a magnetically‑induced instability to produce a peak from which an electric field could extract electrospray. Multiple characteristics of electrospray operation were examined for both sources using faraday plates/cups, a quartz crystal microbalance, a retarding potential analyzer, and a time-of-flight mass spectrometer. The ILFF electrosprays for a capillary source were shown to operate in a mixed ion/droplet regime. The mass flow of the electrospray beam was primarily transported by larger particles …

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Recent Approaches In Designing Bioadhesive Materials Inspired By Mussel Adhesive Protein, Pegah Kord Forooshani, Bruce P. Lee

Department of Biomedical Engineering Publications

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Marine mussels secret protein-based adhesives, which enable them to anchor to various surfaces in a saline, intertidal zone. Mussel foot proteins (Mfps) contain a large abundance of a unique, catecholic amino acid, Dopa, in their protein sequences. Catechol offers robust and durable adhe-sion to various substrate surfaces and contributes to the curing of the adhesive plaques. In this article, we review the unique features and the key functionalities of Mfps, catechol chemistry, and strategies for preparing catechol-functionalized poly- mers. Specifically, we reviewed recent findings on the contributions of various features of Mfps on interfacial binding, which include coacervate formation, surface …

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Dynamic Atomistic Study Of Tunnel Functions In Nanostructured Transitional Metal Oxides, Yifei Yuan

Dissertations, Master's Theses and Master's Reports

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Alpha (α-) MnO₂ is a well know transitional metal oxide possessing one dimensional 2×2 (4.6 × 4.6 Ų) tunnels for accommodation of various ions. Such a characteristic tunneled structure has enabled the wide applications of α-MnO₂ in the fields of ion exchange, molecular sieves, biosensor, catalysis and energy storage. This PhD dissertation focuses on the dynamic study of ion transport functionality of α-MnO₂ at atomic level using an aberration corrected scanning transmission electron microscopy equipped with a special holder with a scanning tunneling microscopy probe.

The wide application of in situ TEM studying the dynamic …

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Biological Materials: Part A. Temperature-Responsive Polymers And Drug Delivery And Part B. Polymer Modification Of Fish Scale And Their Nano-Mechanical Properties, Xu Xiang

Dissertations, Master's Theses and Master's Reports - Open

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This research has three parts. Two parts deal with novel nanoparticle assemblies for drug delivery, and are described in Part A, while the third part looks at properties of fish scales, an abundant and little-used waste resource, that can be modified to have value in medical and other areas.

Part A describes fundamental research into the affects of block sequence of amphiphilic block copolymers prepared from on a new and versatile class of monomers, oligo(ethylene glycol) methyl ether acrylate (OEGA) and the more hydrophobic di(ethylene glycol) methyl ether methacrylate (DEGMA). Polymers from these monomers are biologically safe and give polymers …

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Design, Synthesis And Applications Of Fluorescent And Electrochemical Probes, Giri K. Vegesna

Dissertations, Master's Theses and Master's Reports - Open

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“Seeing is believing” the proverb well suits for fluorescent imaging probes. Since we can selectively and sensitively visualize small biomolecules, organelles such as lysosomes, neutral molecules, metal ions, anions through cellular imaging, fluorescent probes can help shed light on the physiological and pathophysiological path ways. Since these biomolecules are produced in low concentrations in the biochemical pathways, general analytical techniques either fail to detect or are not sensitive enough to differentiate the relative concentrations. During my Ph.D. study, I exploited synthetic organic techniques to design and synthesize fluorescent probes with desirable properties such as high water solubility, high sensitivity and …

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Modeling Dynamics Of Ozone And Nitrogen Oxides At Summit, Greenland With A 1-D Process-Scale Model, Keenan Anton Murray

Dissertations, Master's Theses and Master's Reports - Open

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This work presents a 1-D process scale model used to investigate the chemical dynamics and temporal variability of nitrogen oxides (NO_x) and ozone (O₃) within and above snowpack at Summit, Greenland for March-May 2009 and estimates surface exchange of NO_x between the snowpack and surface layer in April-May 2009. The model assumes the surface of snowflakes have a Liquid Like Layer (LLL) where aqueous chemistry occurs and interacts with the interstitial air of the snowpack. Model parameters and initialization are physically and chemically representative of snowpack at Summit, Greenland and model results are compared to …

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Parametric Study Of Reaxff Simulation Parameters For Molecular Dynamics Modeling Of Reactive Carbon Gases, Benjamin David Jensen

Dissertations, Master's Theses and Master's Reports - Open

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Abstract

The development of innovative carbon-based materials can be greatly facilitated by molecular modeling techniques. Although the Reax Force Field (ReaxFF) can be used to simulate the chemical behavior of carbon-based systems, the simulation settings required for accurate predictions have not been fully explored. Using the ReaxFF, molecular dynamics (MD) simulations are used to simulate the chemical behavior of pure carbon and hydrocarbon reactive gases that are involved in the formation of carbon structures such as graphite, buckyballs, amorphous carbon, and carbon nanotubes. It is determined that the maximum simulation time step that can be used in MD simulations with …

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Studies Of Functionalized Nanoparticles For Smart Self-Assembly And As Controlled Drug Delivery, Xiaochu Ding

Dissertations, Master's Theses and Master's Reports - Open

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This dissertation is related to the studies of functionalized nanoparticles for self-assembly and as controlled drug delivery system. The whole topic is composed of two parts. In the first part, the research was conducted to design and synthesize a new type of ionic peptide-functionalized copolymer conjugates for self-assembly into nanoparticle fibers and 3D scaffolds with the ability of multi-drug loading and governing the release rate of each drug for tissue engineering. The self-assembly study confirmed that such peptide-functionalized amphiphilic copolymers underwent different self-assembly behavior. The bigger nanoparticles were more easily assembled into nanoparticle fibers and 3D scaffolds with larger pore …

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