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Articles 631 - 660 of 2020

Full-Text Articles in Chemical Engineering

Preparation Of Pdcoir Tetrahedron Nanocatalysts And Its Performance Toward Ethanol Oxidation Reaction, Zhi-Yuan Yu, Rui Huang, Jie Liu, Guang Li, Qian-Tong Song, Shi-Gang Sun Feb 2021

Preparation Of Pdcoir Tetrahedron Nanocatalysts And Its Performance Toward Ethanol Oxidation Reaction, Zhi-Yuan Yu, Rui Huang, Jie Liu, Guang Li, Qian-Tong Song, Shi-Gang Sun

Journal of Electrochemistry

As a new energy conversion device, direct ethanol fuel cells (DEFCs) are widely concerned because of their remarkable advantages such as high theoretical energy density and wide fuel sources. However, the rapid development of DEFCs has been severely impeded due to the sluggish kinetic process and toxic intermediates especially in their anodic reactions. Palladium (Pd)-based materials are considered to be excellent anode catalysts for DEFCs, especially under alkaline conditions. And further improving their performance is an important direction to promote the development of DEFCs. Surface structure and composition are the key factors affecting the performance of catalysts which can be …


Research Progress In Electrodeposition Technology Of Titanium-Based Iridium Oxide Electrode, Dan-Dan Wu, Xu Wu Feb 2021

Research Progress In Electrodeposition Technology Of Titanium-Based Iridium Oxide Electrode, Dan-Dan Wu, Xu Wu

Journal of Electrochemistry

Titanium-based iridium oxide electrode has been widely used in various fields, such as electrocatalytic oxidation, biomedical applications, hydrometallurgical metal recovery, electro-osmotic dewatering, etc. At present, it is mainly prepared by traditional thermal decomposition method, however, which has high cost, cumbersome process, mainly relying on manual labor and cannot be mass-produced yet. It is, therefore, urgently necessary to explore new preparation technologies by focusing on electrodeposition technology, with technological characteristics such as eco-friendly and sustainable development. This article systematically discusses the research progress in iridium oxide electrodeposition preparation technology from the aspects of deposition solution formulation, base material selection and treatment, …


Preparations And Electrocatalytic Ethanol Properties Of Palladium Intercalated Hydrotalcite, Shou-Xun Hu, Liang Li, Jun-Hao Yang, Liu-Qiang Li, Zhi-Hao Jin Feb 2021

Preparations And Electrocatalytic Ethanol Properties Of Palladium Intercalated Hydrotalcite, Shou-Xun Hu, Liang Li, Jun-Hao Yang, Liu-Qiang Li, Zhi-Hao Jin

Journal of Electrochemistry

High-performance electrocatalysts play a vital role in the commercial application of direct fuel cells. Current anode materials still have such problems as low activity, easy poisoning and high cost. In this study, a new type of nano- palladium (Pd) catalyst was prepared by dipping method using layered double hydroxides (LDHs) as the carrier. X-ray diffractometer, scanning electron microscope (SEM), inductively coupled plasma mass spectrometer (ICP-MS), energy spectrometer, transmission electron microscope (TEM), cyclic voltammetry, chronoamperometry and electrochemical impedance spectroscope were used to analyze the structure and electrocatalytic performance of the catalyst. The results showed that the newly prepared Pd/Mg-Al-LDHs still maintained …


Syntheses Of Na3V2(Po4)2O2F As A Cathode For Sodium Ion Battery Application, Kai Wu Feb 2021

Syntheses Of Na3V2(Po4)2O2F As A Cathode For Sodium Ion Battery Application, Kai Wu

Journal of Electrochemistry

High-temperature solid-state method, hydro-thermal method and solvo-thermal method have been mainly employed to synthesize Na3V2(PO4)2O2F (NVPF) cathode materials. However, these methods are energy consuming and complicated, which is not applicable for a large scale industrial production. In this study, a rather low-temperature (70℃) co-precipitation strategy was proposed to synthesize NVPF cathode materials. The as-prepared NVPF cathode materials showed a spherical shape with a diameter of 400 ~ 500 nm, and exhibited a sodium storage of 105.6 mAh·g-1 and an efficiency of 90.06%. After a simple thermal process, the specific …


Cellulose-Based Polymer Electrolyte Derived From Waste Coconut Husk: Residual Lignin As A Natural Plasticiser, Chua Kai Ying Feb 2021

Cellulose-Based Polymer Electrolyte Derived From Waste Coconut Husk: Residual Lignin As A Natural Plasticiser, Chua Kai Ying

Student Works (2020-2029)

Polymer electrolyte (PE) finds many applications in the fabrication of electrochemical devices such as batteries, solar cells, supercapacitors, and electrochromic windows. The usage of cellulose from the waste of coconut husk is one alternative in using natural polymer as a green electrolyte. However, due to its high crystallinity, the usage of plasticiser is advantageous to reduce the crystallinity of cellulose. Lignin which co-exists with cellulose in the cell walls of the plants could act as a natural plasticiser in preparing a good polymer electrolyte. In this work, cellulose was isolated from waste coconut husk (Cocos nucifera), modified into water-soluble carboxymethylcellulose …


Open-Field Scale-Model Experiments Of Fire Whirls Over L-Shaped Line Fires, Yuto Iga, Kazunori Kuwana, Kozo Sekimoto, Yuji Nakamura Feb 2021

Open-Field Scale-Model Experiments Of Fire Whirls Over L-Shaped Line Fires, Yuto Iga, Kazunori Kuwana, Kozo Sekimoto, Yuji Nakamura

Progress in Scale Modeling, an International Journal

This paper presents the results of open-field scale-model experiments of fire-whirl formation over line fires. L-shaped line fires were burned in crosswinds, and the processes of fire-whirl formation were observed. The flame height was measured using an image-processing technique, while two-dimensional velocity components were measured at two different locations using ultrasonic anemometers. Two tests were selected for comparison: test A, in which intense fire whirls repeatedly formed, and test B, in which no whirls were observed. In test A, the wind flow was bent by the fire plume, creating swirling flows near the burning area, thereby forming fire whirls. On …


Coarse-Grained Simulation Of Pegylated And Tethered Protein Devices At All Experimentally Accessible Surface Residues On Β-Lactamase For Stability Analysis And Comparison, Addison K. Smith, Mehran Sultani, Joshua Wilkerson, Brandon Timmerman, Emily Long Zhao, Bradley C. Bundy, Thomas A. Knotts Feb 2021

Coarse-Grained Simulation Of Pegylated And Tethered Protein Devices At All Experimentally Accessible Surface Residues On Β-Lactamase For Stability Analysis And Comparison, Addison K. Smith, Mehran Sultani, Joshua Wilkerson, Brandon Timmerman, Emily Long Zhao, Bradley C. Bundy, Thomas A. Knotts

Faculty Publications

PEGylated and surface-tethered proteins are used in a variety of biotechnological applications, but traditional methods offer little control over the placement of the functionalization sites on the protein. Fortunately, recent experimental methods functionalize the protein at any location on the amino acid sequence, so the question becomes one of selecting the site that will result in the best protein function. This work shows how molecular simulation can be used to screen potential attachment sites for surface tethering or PEGylation. Previous simulation work has shown promise in this regard for a model protein, but these studies are limited to screening only …


Computational Fluid Dynamics Simulation Of Internal Fluid Flow: A Case Of Venturi Effect, Kho Tuck Sing Feb 2021

Computational Fluid Dynamics Simulation Of Internal Fluid Flow: A Case Of Venturi Effect, Kho Tuck Sing

Student Works (2020-2029)

This research project uses the Ansys Fluent software to conduct various Computational Fluid Dynamics (CFD) simulation of venturi effect occurs in an internal pipe flow based on the multi-phase flow model. In fluid dynamics, venturi effect is a common phenomenon occurs in an internal pipe flow, where a reduction in fluid pressure resultant from a fluid flow through a constricted section of a pipe. In accordance to Bernoulli's principle, an incompressible fluid's velocity increases as it passes through a constriction, in accordance to the principle of mass continuity, while its static pressure must decrease in accordance to the principle of …


An Investigation Of Cross-Links On Crystallization And Degradation In A Novel, Photocross-Linkable Poly (Lactic Acid) System, Nicholas Baksh Feb 2021

An Investigation Of Cross-Links On Crystallization And Degradation In A Novel, Photocross-Linkable Poly (Lactic Acid) System, Nicholas Baksh

USF Tampa Graduate Theses and Dissertations

Polymeric molecular structure consists of repeating units bonded together. Mechanicalproperties can be altered without affecting chemical makeup by altering the number of these units. Small molecules can be introduced and/or polymers can be modified to form bonds between molecular chains. Cross-linking, as this is called, also introduces mechanical variation with minimal effects on chemical composition. Lastly, polymer chains reorient themselves in response to intermolecular forces. This temperature dependent response is known as crystallization. Although chemistry is unaltered, mechanical properties can depend highly on the percent of the sample that is crystallized.

Cross-linking is known to enhance the mechanical properties of …


Effects Of Dimensionless Numbers On Decomposition Of Methane Hydrate, Shoma Shimizu, Genichiro Kushida Feb 2021

Effects Of Dimensionless Numbers On Decomposition Of Methane Hydrate, Shoma Shimizu, Genichiro Kushida

Progress in Scale Modeling, an International Journal

It is necessary to elucidate the decomposition and combustion of methane hydrate for fire safety during transportation and storage to utilize it for commercial practice. The amount of methane evolved during the decomposition of methane hydrates is affected by the conditions such as the initial temperature, initial density and ambient temperature. In the present study, the internal temperature of methane hydrate and the amount of methane evolved during its decomposition were investigated by a dimensionless numerical analysis using a transient one-dimensional conduction model from a symmetrical methane hydrate ball heated by ambient air. The numerically calculated central temperature and the …


A Study On Fire Hazards Of Oil Tanks In Urban Areas With Scale Model Experiments, Ho Yin Ng, Yu Wan, Wan Ki Chow Feb 2021

A Study On Fire Hazards Of Oil Tanks In Urban Areas With Scale Model Experiments, Ho Yin Ng, Yu Wan, Wan Ki Chow

Progress in Scale Modeling, an International Journal

Large fuel tanks are located in an urban area of Tsing Yi in Hong Kong, giving potentially high risks to people living nearby if a fire was to occur. Scale modeling experiments were carried out to investigate the potential of fire hazards. Propanol pool fires with five different scales of oil tanks were studied first. Appropriate tank sizes were then put in a 1/2500 architectural scale model on the Tsing Yi Island to study a fuel tank fire. Results show that the heat and smoke from a fire would affect occupants staying in areas near to the fuel tanks. Fire …


Fingering Behavior Of Flame Spread Over Solid Combustibles, Tsuneyoshi Matsuoka, Kentaro Nakashima, Takuma Kajimoto, Akihiro Yoshimasa, Yuji Nakamura Feb 2021

Fingering Behavior Of Flame Spread Over Solid Combustibles, Tsuneyoshi Matsuoka, Kentaro Nakashima, Takuma Kajimoto, Akihiro Yoshimasa, Yuji Nakamura

Progress in Scale Modeling, an International Journal

In this study, the fingering pattern formation and the following flamelet spreading over three different kinds of thick combustibles, i.e., Poly methacrylate (PMMA), Poly ethylene (PE) and Poly carbonate (PC) were observed and the effective Lewis number correlation was validated. Experiments were performed with a narrow channel apparatus. In addition to the kinds of solid fuel materials, the channel height and the oxidizer velocity were varied as experimental parameters. An image analysis method was developed to quantify the number, diameter and spread rate of the flamelets. Replacing the fuel thickness into the thermal thickness, the effective Lewis number which is …


Preparation Of Nanoemulsion Using Lipase-Synthesized Glucose Monooleate Through Low Energy Technique, Muhammad Fakhrurazi Ahmad Fadzil Feb 2021

Preparation Of Nanoemulsion Using Lipase-Synthesized Glucose Monooleate Through Low Energy Technique, Muhammad Fakhrurazi Ahmad Fadzil

Student Works (2020-2029)

In this study, glucose monooleate (GluO) was synthesized and compared to its counterpart i.e. Tween-80 (Tw-80) and Span-80 (Sp-80) to investigate the influence of the different hydrophilic head structure of the surfactants on emulsification property. Utilizing sugar molecules like glucose as the hydrophilic head group of surfactants is of interest as it has a high potential to be used as a targeted delivery agent. The main objective of this study is to investigate the capability of lipase synthesized GluO in the formation of O/W nanoemulsion in four different types of vegetable oils that are sunflower oil, olive oil, palm oil, …


Characterization And Oil Recovery Enhancement By A Polymeric Nanogel Combined With Surfactant For Sandstone Reservoirs, Mustafa Mohammed Almahfood, Baojun Bai Feb 2021

Characterization And Oil Recovery Enhancement By A Polymeric Nanogel Combined With Surfactant For Sandstone Reservoirs, Mustafa Mohammed Almahfood, Baojun Bai

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

The characterization and enhanced oil recovery mechanisms of a nanosized polymeric cross-linked gel are presented herein. A negatively charged nanogel was synthesized using a typical free radical suspension polymerization process by employing 2-acrylamido 2-methyl propane sulfonic acid monomer. The synthesized nanogel showed a narrow size distribution with one peak pointing to a predominant homogeneous droplet size. The charged nanogels were also able to adsorb at the oil-water interfaces to reduce interfacial tension and stabilize oil-in-water emulsions, which ultimately improved the recovered oil from hydrocarbon reservoirs. In addition, a fixed concentration of negatively charged surfactant (sodium dodecyl sulfate or SDS) was …


Data-Driven Tools Guided By First-Principles For Scale Modeling, Sadegh Poozesh Jan 2021

Data-Driven Tools Guided By First-Principles For Scale Modeling, Sadegh Poozesh

Progress in Scale Modeling, an International Journal

For decades, traditional scale-modeling techniques have been relying on first-principles models (FPMs). FPMs have been used to find non-dimensional numbers (PIs) and identify normalized underlying forces and energies behind the phenomenon in focus. The two main challenges with FPM-based PIs extraction are finding the relevant PIs and proper correlations between PIs. The emergence and surge of data-driven modeling (DDM) provide a new opportunity to leverage experimental data in model development across scales/plants. In this paper, first, the two mentioned issues in PIs development will be elaborated to reveal the gap, and second, a new insight into scale modeling and similarity …


Coating Compositions And Methods For Using The Same, Fateme Rezaei, Thomas P. Schuman, Glenn Morrison Jan 2021

Coating Compositions And Methods For Using The Same, Fateme Rezaei, Thomas P. Schuman, Glenn Morrison

Chemical and Biochemical Engineering Faculty Research & Creative Works

Coating compositions and methods for using the same are disclosed. The coating compositions can include an aminosilica adsorbent. The coating compositions can adsorb CO2.


Modelling And Analysis Of Performance For Biogas Fuelled Gas Engine Using Matlab, Indran Kunusilin Jan 2021

Modelling And Analysis Of Performance For Biogas Fuelled Gas Engine Using Matlab, Indran Kunusilin

Student Works (2020-2029)

A wide-ranging performance evaluation of a multi-cylinder gas engine operating wit biogas as a fuel were studied based on its performance parameters such as effective power, torque, SFC, MEP and Thermal Efficiency and its HRR analysis with the aid of modeling software, MATLAB. The analysis and performance study were used based on the thermodynamic model of an Otto cycle, which is based on the gas engines used. Parameters such as cylinder pressure with domain of crank angle and heat addition model (using Wiebe function ) were studied to model the and analyze the HRR .Besides that , the contributing factors …


Study On Engine Performance And Exhaust Pollutant Using Isobutanol - Calophyllum Inophyllum Biodiesel - Diesel Ternary Blends In A Diesel Engine, Mohd Azham Mohd Alwi Jan 2021

Study On Engine Performance And Exhaust Pollutant Using Isobutanol - Calophyllum Inophyllum Biodiesel - Diesel Ternary Blends In A Diesel Engine, Mohd Azham Mohd Alwi

Student Works (2020-2029)

Renewable energy sources such as biodiesel and bio-alcohol are desirable and are alternative to meet energy demand and control emission, from renewable sources such as ethanol, methanol, butanol, and pentanol. Biodiesel has a notable interest in offering many advantages with few disadvantages and needs to be extended for comprehensive use. Applying greater alcohols such as butanol with biodiesel in fuel blends is a beneficial technic to enhance the fuel characteristics and use biodiesel and alcohol efficiently. Isobutanol is an organic compound that has very low volatility, higher-chain alcohols have energy densities close to gasoline. It is not as volatile or …


Removal Of Selected Organic Pollutants In Landfill Leachate Using Natural Coagulant From Dillenia Indica Seed Extract, Aziz Ahmed Jan 2021

Removal Of Selected Organic Pollutants In Landfill Leachate Using Natural Coagulant From Dillenia Indica Seed Extract, Aziz Ahmed

Student Works (2020-2029)

This study is aimed to identify and characterise novel green coagulant from Dillenia indica seed extracts for the removal of selected persistent organic pollutants (POPs) in landfill leachate using coagulation-flocculation process. The removal efficacy of D. indica seed extracts was compared with commercially available coagulants namely Locust Bean Gum (LBG) and alum. Additionally, it focused on the optimisation of the variables of the coagulation-flocculation process such as coagulants dosage, pH and mixing speed for POPs removal. The functional groups, morphological behaviour and surface area of the dried flocs and samples were analysed using Fourier transform infrared (FTIR), Scanning Electron Microscopy …


Effects Of Resin Chemistries On The Selective Removal Of Industrially Relevant Metal Ions Using Wafer-Enhanced Electrodeionization, Humeyra B. Ulusoy Erol, Christa N. Hestekin, Jamie A. Hestekin Jan 2021

Effects Of Resin Chemistries On The Selective Removal Of Industrially Relevant Metal Ions Using Wafer-Enhanced Electrodeionization, Humeyra B. Ulusoy Erol, Christa N. Hestekin, Jamie A. Hestekin

Chemical Engineering Faculty Publications and Presentations

Wafer-enhanced electrodeionization (WE-EDI) is an electrically driven separations technology that occurs under the influence of an applied electric field and heavily depends on ion exchange resin chemistry. Unlike filtration processes, WE-EDI can be used to selectively remove ions even from high concentration systems. Because every excess ion transported increases the operating costs, the selective separation offered by WE-EDI can provide a more energy-efficient and cost-effective process, especially for highly concentrated salt solutions. This work reports the performance comparison of four commonly used cation exchange resins (Amberlite IR120 Na+, Amberlite IRP 69, Dowex MAC 3 H+, and …


Valorization Of Xylan In Agroforestry Waste Streams, Harrison Appiah Jan 2021

Valorization Of Xylan In Agroforestry Waste Streams, Harrison Appiah

Graduate Theses, Dissertations, and Problem Reports (ETD)

Valorization of Xylan in Agroforestry Waste Streams.

Harrison Appiah

Microwave-assisted deep eutectic solvent and gamma-valerolactone metallic chloride catalyzed conversion of xylan to furfural were investigated using a 2x3 factorial experimental design at two levels of percent microwave power, reaction time, and catalyst concentration. The levels of each factor studied were (20%, 60% microwave power, 2, 4 minutes, and 10, 20mg) respectively. The effect of three metallic chloride catalysts (LiCl, FeCl3.6H20, CuCl2) on the conversion of xylan to furfural was also investigated. The gamma-valerolactone-ferric chloride sent system exhibited the highest mean yield of furfural (56.50%). The next highest furfural yield of …


Review On Carbon Dioxide Utilization For Cycloaddition Of Epoxides By Ionic Liquid-Modified Hybrid Catalysts: Effect Of Influential Parameters And Mechanisms Insight, Jimmy Nelson Appaturi, Rajabathar. Jothi Ramalingam, Muthu Kumaran Gnanamani, Govindasami Periyasami, Prabhakarn Arunachalam, Rohana Adnan, Farook Adam, Mohammed D. Wasmiah, Hamad A. Al‐Lohedan Jan 2021

Review On Carbon Dioxide Utilization For Cycloaddition Of Epoxides By Ionic Liquid-Modified Hybrid Catalysts: Effect Of Influential Parameters And Mechanisms Insight, Jimmy Nelson Appaturi, Rajabathar. Jothi Ramalingam, Muthu Kumaran Gnanamani, Govindasami Periyasami, Prabhakarn Arunachalam, Rohana Adnan, Farook Adam, Mohammed D. Wasmiah, Hamad A. Al‐Lohedan

Center for Applied Energy Research Faculty and Staff Publications

The storage, utilization, and control of the greenhouse (CO2) gas is a topic of interest for researchers in academia and society. The present review article is dedicating to cover the overall role of ionic liquid-modified hybrid materials in cycloaddition reactions. Special emphasis is on the synthesis of various cyclic carbonate using ionic liquid-based modified catalysts. Catalytic activity studies have discussed with respect to process conditions and their effects on conversion and product selectivity for the reaction of cycloaddition of CO2 with styrene oxide. The reaction temperature and the partial pressure of CO2 have found to play …


Oxygen Harvesting From Carbon Dioxide: Simultaneous Epoxidation And Co Formation, Han Xu, Muhammad Shaban, Sui Wang, Anas Alkayal, Dingxin Liu, Michael G. Kong, Felix Plasser, Benjamin R. Buckley, Felipe Iza Jan 2021

Oxygen Harvesting From Carbon Dioxide: Simultaneous Epoxidation And Co Formation, Han Xu, Muhammad Shaban, Sui Wang, Anas Alkayal, Dingxin Liu, Michael G. Kong, Felix Plasser, Benjamin R. Buckley, Felipe Iza

Bioelectrics Publications

Due to increasing concentrations in the atmosphere, carbon dioxide has, in recent times, been targeted for utilisation (Carbon Capture Utilisation and Storage, CCUS). In particular, the production of CO from CO2 has been an area of intense interest, particularly since the CO can be utilized in Fischer–Tropsch synthesis. Herein we report that CO2 can also be used as a source of atomic oxygen that is efficiently harvested and used as a waste-free terminal oxidant for the oxidation of alkenes to epoxides. Simultaneously, the process yields CO. Utilization of the atomic oxygen does not only generate a valuable product, …


A Geometric Description Of The Set Of Stabilizing Pid Controllers, Keqin Gu, Qian Ma, Huiqing Zhou, Mahzoon Salma, Xingzi Yang Jan 2021

A Geometric Description Of The Set Of Stabilizing Pid Controllers, Keqin Gu, Qian Ma, Huiqing Zhou, Mahzoon Salma, Xingzi Yang

SIUE Faculty Research, Scholarship, and Creative Activity

This article developed a new method to described the set of stabilizing PID control. The method is based on D-parameterization with natural description of the set. It was found that the stability crossing surface is a ruled surface that is completely determined by a curve known as discriminant. The discriminant is divided into sectors at the cusps. Corresponding to the sectors, the stability crossing surface is divided into positive and negative patches. A systematic study is conducted to identify the regions with a fixed number of right half-plane characteristic roots. The crossing directions of characteristic roots for positive patches and …


Relationships Among Mineralogy, Geochemistry, And Oil And Gas Production In The Tuscaloosa Marine Shale, Hayley Roxana Beitel Jan 2021

Relationships Among Mineralogy, Geochemistry, And Oil And Gas Production In The Tuscaloosa Marine Shale, Hayley Roxana Beitel

Masters Theses

"The Tuscaloosa Marine Shale (TMS) is an unconventional shale reservoir located in southeast Louisiana and southwest Mississippi. Limited mineralogical and geochemical data for the TMS have been published. The data that do exist indicate that the formation is heterogeneous. Consequently, previous investigators and oil and gas companies have not managed to effectively link mineralogical and chemical changes to oil and gas production in the TMS. These linkages are critical to establish for future exploration efforts. In this study, we attempt to establish these relationships by gathering all existing mineralogical and chemical data in the TMS, including newly acquired data from …


Establishing Independent Tunability Of The Mechanical And Transport Properties Of Polymer Gels, Lucas Rankin Jan 2021

Establishing Independent Tunability Of The Mechanical And Transport Properties Of Polymer Gels, Lucas Rankin

Master’s Theses

Polymer gels can be used in the fabrication of materials for filtering liquid and gaseous media, solid-state electrolytes, and transdermal medical patches. This diverse range of applications primarily relies on the transport and mechanical properties of polymer gels. Both sets of properties have shown excellent tunability, but typically in a coupled fashion. Establishing the independent tunability of the transport and mechanical properties of polymer gels (using simple, cost-effective methods) is paramount if polymer gels are to be used to their full potential. Specifically, block copolymer gels self-assemble into organized nanoscale networks within the gel solvent, which allows for facile control …


Detection Of 2,4,6-Trinitrotoluene Using A Colorimetric Gold Nanoparticle Air Cassette Filter, Andrea I. Ferrer Vega Jan 2021

Detection Of 2,4,6-Trinitrotoluene Using A Colorimetric Gold Nanoparticle Air Cassette Filter, Andrea I. Ferrer Vega

Master of Science in Forensic Science Directed Research Projects

Trinitrotoluene (TNT) is an explosive commonly used during military and terrorist activities. Current methods to identify this compound require sampling, transport and analysis at a forensic lab using analytical instrumentation. However, on-site detection is needed to assist efforts to prevent detonation. Gold nanoparticles have been used as sensors throughout the years due to their versatility and surface enhanced Raman scattering properties in the presence of an analyte and low limits of detection. By taking advantage of the Meisenheimer complex that TNT forms in the presence of amines, it is possible to determine its presence at picogram levels. Subsequently, adhering amine …


Advanced Raman Spectroscopy Detection Of Oxidative Damage In Nucleic Acid Bases: Probing Chemical Changes And Intermolecular Interactions In Guanosine At Ultralow Concentration, Francesca Ripanti, Claudia Fasolato, Flavia Mazzarda, Simonetta Palleschi, Marina Ceccarini, Chunchun Li, Margherita Bignami, Enrico Bodo, Steven E.J. Bell, Filomena Mazzei, Paolo Postorino Jan 2021

Advanced Raman Spectroscopy Detection Of Oxidative Damage In Nucleic Acid Bases: Probing Chemical Changes And Intermolecular Interactions In Guanosine At Ultralow Concentration, Francesca Ripanti, Claudia Fasolato, Flavia Mazzarda, Simonetta Palleschi, Marina Ceccarini, Chunchun Li, Margherita Bignami, Enrico Bodo, Steven E.J. Bell, Filomena Mazzei, Paolo Postorino

Bioelectrics Publications

DNA/RNA synthesis precursors are especially vulnerable to damage induced by reactive oxygen species occurring following oxidative stress. Guanosine triphosphates are the prevalent oxidized nucleotides, which can be misincorporated during replication, leading to mutations and cell death. Here, we present a novel method based on micro-Raman spectroscopy, combined with ab initio calculations, for the identification, detection, and quantification of oxidized nucleotides at low concentration. We also show that the Raman signature in the terahertz spectral range (<100 >cm(-1)) contains information on the intermolecular assembly of guanine in tetrads, which allows us to further boost the oxidative damage detection limit. Eventually, we …


Simulation Of Water Loading In Filter Medium, Anthony Mole Jan 2021

Simulation Of Water Loading In Filter Medium, Anthony Mole

Williams Honors College, Honors Research Projects

This research will model fluid flow through a filter plugged with water droplets using FlexPDE software. After simulations are run at various initial conditions, curves will be developed to correlate the permeability of the filter to variables like water droplet distribution and size.


Information Architecture For A Chemical Modeling Knowledge Graph, Adam R. Luxon Jan 2021

Information Architecture For A Chemical Modeling Knowledge Graph, Adam R. Luxon

Theses and Dissertations

Machine learning models for chemical property predictions are high dimension design challenges spanning multiple disciplines. Free and open-source software libraries have streamlined the model implementation process, but the design complexity remains. In order better navigate and understand the machine learning design space, model information needs to be organized and contextualized. In this work, instances of chemical property models and their associated parameters were stored in a Neo4j property graph database. Machine learning model instances were created with permutations of dataset, learning algorithm, molecular featurization, data scaling, data splitting, hyperparameters, and hyperparameter optimization techniques. The resulting graph contains over 83,000 nodes …