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Articles 301 - 330 of 1553

Full-Text Articles in Chemistry

Relating Detonation Parameters To The Detonation Synthesis Of Silicon Carbide, Martin Langenderfer, Eric W. Bohannan, Jeremy Lee Watts, William Fahrenholtz, Catherine E. Johnson May 2022

Relating Detonation Parameters To The Detonation Synthesis Of Silicon Carbide, Martin Langenderfer, Eric W. Bohannan, Jeremy Lee Watts, William Fahrenholtz, Catherine E. Johnson

Chemistry Faculty Research & Creative Works

Detonation synthesis of silicon carbide (SiC) nanoparticles from carbon liberated by negatively oxygen balanced explosives was evaluated in a 23 factorial design to determine the effects of three categorical experimental factors: (1) cyclotrimethylene-trinitramine (RDX)/2,4,6-trinitrotoluene (TNT) ratio, (2) silicon (Si) additive concentration, and (3) Si particle size. These factors were evaluated at low and high levels as they relate to the detonation performance of the explosive and the solid Si-containing phases produced. Detonation velocity and Chapman-Jouguet (C-J) detonation pressure, which were measured using rate stick plate dent tests, were evaluated. Solid detonation product mass, silicon carbide product concentration, and residual silicon …


Techno-Economic Feasibility Analysis Of A Fully Mobile Radiation Oncology System Using Monte Carlo Simulation, Alex T. Price, Casey I. Canfield, Geoffrey D. Hugo, James A. Kavanaugh, Lauren E. Henke, Eric Laugeman, Pamela Samson, Clair Reynolds-Kueny, Elizabeth A. Cudney May 2022

Techno-Economic Feasibility Analysis Of A Fully Mobile Radiation Oncology System Using Monte Carlo Simulation, Alex T. Price, Casey I. Canfield, Geoffrey D. Hugo, James A. Kavanaugh, Lauren E. Henke, Eric Laugeman, Pamela Samson, Clair Reynolds-Kueny, Elizabeth A. Cudney

Engineering Management and Systems Engineering Faculty Research & Creative Works

PURPOSEDisparities in radiation oncology (RO) can be attributed to geographic location, socioeconomic status, race, sex, and other societal factors. One potential solution is to implement a fully mobile (FM) RO system to bring radiotherapy to rural areas and reduce barriers to access. We use Monte Carlo simulation to quantify techno-economic feasibility with uncertainty, using two rural Missouri scenarios.METHODSRecently, a semimobile RO system has been developed by building an o-ring linear accelerator (linac) into a mobile coach that is used for temporary care, months at a time. Transitioning to a more FM-RO system, which changes location within a given day, presents …


Establishing Pteridine Metabolism In A Progressive Isogenic Breast Cancer Cell Model – Part Ii, Lindsey Rasmussen, Zachary Foulks, Jiandong Wu, Casey Burton, Honglan Shi May 2022

Establishing Pteridine Metabolism In A Progressive Isogenic Breast Cancer Cell Model – Part Ii, Lindsey Rasmussen, Zachary Foulks, Jiandong Wu, Casey Burton, Honglan Shi

Chemistry Faculty Research & Creative Works

Introduction: Determining the biological significance of pteridines in cancer development and progression remains an important step in understanding the altered levels of urinary pteridines seen in certain cancers. Our companion study revealed that several folate-derived pteridines and lumazines correlated with tumorigenicity in an isogenic, progressive breast cancer cell model, providing direct evidence for the tumorigenic origin of pteridines. Objectives: This study sought to elucidate the pteridine biosynthetic pathway in a progressive breast cancer model via direct pteridine dosing to determine how pteridine metabolism changes with tumorigenicity. Methods: First, MCF10AT breast cancer cells were dosed individually with 15 pteridines to determine …


Defining The Collapse Point In Colloidal Unimolecular Polymer (Cup) Formation, Ashish Zore, Peng Geng, Yuwei Zhang, Michael R. Van De Mark May 2022

Defining The Collapse Point In Colloidal Unimolecular Polymer (Cup) Formation, Ashish Zore, Peng Geng, Yuwei Zhang, Michael R. Van De Mark

Chemistry Faculty Research & Creative Works

Colloidal unimolecular polymer (CUP) particles were made using polymers with different ratios of hydrophobic and hydrophilic monomers via a self-organization process known as water reduction. The water-reduction process and the collapse of the polymer chain to form a CUP were tracked using viscosity measurements as a function of composition. A vibration viscometer, which allowed for viscosity measurement as the water was being added during the water-reduction process, was utilized. The protocol was optimized and tested for factors such as temperature control, loss of material, measurement stability while stirring, and changes in the solution volume with the addition of water. The …


Defining The Collapse Point In Colloidal Unimolecular Polymer (Cup) Formation, Ashish Zore, Peng Geng, Yuwei Zhang, Michael R. Van De Mark May 2022

Defining The Collapse Point In Colloidal Unimolecular Polymer (Cup) Formation, Ashish Zore, Peng Geng, Yuwei Zhang, Michael R. Van De Mark

Chemistry Faculty Research & Creative Works

Colloidal unimolecular polymer (CUP) particles were made using polymers with different ratios of hydrophobic and hydrophilic monomers via a self-organization process known as water reduction. The water-reduction process and the collapse of the polymer chain to form a CUP were tracked using viscosity measurements as a function of composition. A vibration viscometer, which allowed for viscosity measurement as the water was being added during the water-reduction process, was utilized. The protocol was optimized and tested for factors such as temperature control, loss of material, measurement stability while stirring, and changes in the solution volume with the addition of water. The …


Construction And Demonstration Of A 6–18 Ghz Microwave Three-Wave Mixing Experiment Using Multiple Synchronized Arbitrary Waveform Generators, Nicole T. Moon, Klaus Woelk, Garry S. Grubbs May 2022

Construction And Demonstration Of A 6–18 Ghz Microwave Three-Wave Mixing Experiment Using Multiple Synchronized Arbitrary Waveform Generators, Nicole T. Moon, Klaus Woelk, Garry S. Grubbs

Chemistry Faculty Research & Creative Works

This manuscript details the construction and demonstration of the first known microwave three-wave mixing (M3WM) experiment utilizing multiple arbitrary waveform generators (AWGs) completely operable in the 6–18 GHz frequency range for use in chirality determination and quantification. Many M3WM techniques, which involve two orthogonal, subsequent Rabi π/2 and π microwave pulses, suffer from flexibility in pulse types and timings as well as frequency due to most instruments only using one, one-channel AWG and the M3WM probability decreasing with an increasing quantum number, J. In this work, we presented an M3WM instrument that allows that flexibility by introducing multiple, synchronized AWGs …


Building-Block Approach To The Discovery Of Na8mn2(Ge2se6)2: A Polar Chalcogenide Exhibiting Promising Harmonic Generation Signals With A High Laser-Induced Damage Threshold, Srikanth Balijapelly, Andrew J. Craig, Jeong Bin Cho, Joon I. Jang, Kartik Ghosh, Jennifer A. Aitken, Aleksandr V. Chernatynskiy, Amitava Choudhury Apr 2022

Building-Block Approach To The Discovery Of Na8mn2(Ge2se6)2: A Polar Chalcogenide Exhibiting Promising Harmonic Generation Signals With A High Laser-Induced Damage Threshold, Srikanth Balijapelly, Andrew J. Craig, Jeong Bin Cho, Joon I. Jang, Kartik Ghosh, Jennifer A. Aitken, Aleksandr V. Chernatynskiy, Amitava Choudhury

Physics Faculty Research & Creative Works

A new polar quaternary chalcogenide, Na8Mn2(Ge2Se6)2, has been synthesized using the building-block approach by reacting preformed Na6Ge2Se6 and MnCl2 at 750 °C. The structure consists of layers of [Na(1)Mn(Ge2Se6)]3– stacked perpendicular to the c-axis and sodium ions occupying the interlayer space. An indirect bandgap of 1.52 eV has been calculated using density functional theory, which is expectedly underestimated compared to the observed optical bandgap of 1.95 eV derived from diffuse reflectance spectroscopic measurements in the UV/Vis/NIR region. Magnetic measurements confirm the paramagnetic nature of Na8Mn2(Ge2Se6)2 with an experimental magnetic moment of 5.8 μB in good agreement with the theoretical spin …


Theranostic Copolymers Neutralize Reactive Oxygen Species And Lipid Peroxidation Products For The Combined Treatment Of Traumatic Brain Injury, Aaron Priester, Richard Waters, Ashleigh Abbott, Krista Hilmas, Klaus Woelk, Hunter A. Miller, Aria W. Tarudji, Connor C. Gee, Brandon Mcdonald, Forrest M. Kievit, Anthony J. Convertine Apr 2022

Theranostic Copolymers Neutralize Reactive Oxygen Species And Lipid Peroxidation Products For The Combined Treatment Of Traumatic Brain Injury, Aaron Priester, Richard Waters, Ashleigh Abbott, Krista Hilmas, Klaus Woelk, Hunter A. Miller, Aria W. Tarudji, Connor C. Gee, Brandon Mcdonald, Forrest M. Kievit, Anthony J. Convertine

Chemistry Faculty Research & Creative Works

Traumatic brain injury (TBI) results in the generation of reactive oxygen species (ROS) and lipid peroxidation product (LPOx), including acrolein and 4-hydroxynonenal (4HNE). The presence of these biochemical derangements results in neurodegeneration during the secondary phase of the injury. The ability to rapidly neutralize multiple species could significantly improve outcomes for TBI patients. However, the difficulty in creating therapies that target multiple biochemical derangements simultaneously has greatly limited therapeutic efficacy. Therefore, our goal was to design a material that could rapidly bind and neutralize both ROS and LPOx following TBI. To do this, a series of thiol-functionalized biocompatible copolymers based …


Quantification Of Silver Nanoparticle Interactions With Yeast Saccharomyces Cerevisiae Studied Using Single-Cell Icp-Ms, Lindsey Rasmussen, Honglan Shi, Wenyan Liu, Katie Shannon Apr 2022

Quantification Of Silver Nanoparticle Interactions With Yeast Saccharomyces Cerevisiae Studied Using Single-Cell Icp-Ms, Lindsey Rasmussen, Honglan Shi, Wenyan Liu, Katie Shannon

Chemistry Faculty Research & Creative Works

Silver nanoparticles (AgNPs) have been used in many fields due to their anticancer, antimicrobial, and antiviral potential. Single-cell ICP-MS (SC-ICP-MS) is an emerging technology that allows for the rapid characterization and quantification of a metal analyte across a cell population in a single analysis. In this study, a new rapid and sensitive SC-ICP-MS method was developed to quantitatively study the interactions of AgNPs with yeast Saccharomyces cerevisiae. The method can quantify the cell concentration, silver concentration per cell, and profile the nanoparticle distribution in a yeast cell population. AgNP dosing time, concentration, and AgNP size were quantitatively evaluated for their …


Transition Metal‐Catalyzed And Mao‐Assisted Olefin Polymerization. Cyclic Isomers Of Sinn’S Dimer Are Excellent Ligands In Iron Complexes And Great Methylating Reagents, Kaidi Yang, Rainer Glaser Mar 2022

Transition Metal‐Catalyzed And Mao‐Assisted Olefin Polymerization. Cyclic Isomers Of Sinn’S Dimer Are Excellent Ligands In Iron Complexes And Great Methylating Reagents, Kaidi Yang, Rainer Glaser

Chemistry Faculty Research & Creative Works

Methylaluminoxane (MAO) is the most commonly used co‐catalyst for transition metalcatalyzed olefin polymerization, but the structures of MAO species and their catalytic functions remain topics of intensive study. We are interested in MAO‐assisted polymerization with catalysts L(R2)FeCl2 (L = tridentate pyridine‐2,6‐diyldimethanimine; imine‐R = Me, Ph). It is our hypothesis that the MAO species is not merely enabling Fe−Me bond formation but functions as an integral part of the active catalyst, a MAO adduct of the Fe‐precatalyst [L(R2)FeCl]+. In this paper, we explored the possible structures of acyclic and cyclic MAO species and their …


Thiol Antioxidants Protect Human Lens Epithelial (Hle B-3) Cells Against Tert-Butyl Hydroperoxide-Induced Oxidative Damage And Cytotoxicity, Annalise Pfaff, Anna Chernatynskaya, Hannah Vineyard, Nuran Ercal Mar 2022

Thiol Antioxidants Protect Human Lens Epithelial (Hle B-3) Cells Against Tert-Butyl Hydroperoxide-Induced Oxidative Damage And Cytotoxicity, Annalise Pfaff, Anna Chernatynskaya, Hannah Vineyard, Nuran Ercal

Chemistry Faculty Research & Creative Works

Oxidative damage to lens epithelial cells plays an important role in the development of age-related cataract, and the health of the lens has important implications for overall ocular health. As a result, there is a need for effective therapeutic agents that prevent oxidative damage to the lens. Thiol antioxidants such as tiopronin or N-(2-mercaptopropionyl)glycine (MPG), N-acetylcysteine amide (NACA), N-acetylcysteine (NAC), and exogenous glutathione (GSH) may be promising candidates for this purpose, but their ability to protect lens epithelial cells is not well understood. The effectiveness of these compounds was compared by exposing human lens epithelial cells (HLE B-3) to the …


Computational Study On The Microscopic Adsorption Characteristics Of Linear Alkylbenzene Sulfonates With Different Chain Lengths On Anthracite Surface, Xuanlai Chen, Guochao Yan, Guang Xu, Xianglin Yang, Jinfa Dong, Zidong Liang, Shuai Wei Feb 2022

Computational Study On The Microscopic Adsorption Characteristics Of Linear Alkylbenzene Sulfonates With Different Chain Lengths On Anthracite Surface, Xuanlai Chen, Guochao Yan, Guang Xu, Xianglin Yang, Jinfa Dong, Zidong Liang, Shuai Wei

Mining Engineering Faculty Research & Creative Works

In order to explore the influence of different lengths of hydrophobic carbon chains on the diffusion characteristics of surfactants on the surface of anthracite, six linear alkyl benzene sulfonates with different hydrophobic carbon chain lengths were selected (mC, m = 8, 10, 12, 14, 16, 18; m represents the numbers of carbon atoms in the hydrophobic carbon chain), and molecular dynamics (MD) simulations were adopted. Models of surfactant-anthracite, surfactant-graphite layer, and water-surfactant-anthracite were constructed. After analyzing a series of properties such as adsorption energy, diffusion coefficient, radial distribution function (RDF), and hydrophobic tail order parameters, it was found that 12C …


Noninvasive Detection, Tracking, And Characterization Of Aerogel Implants Using Diagnostic Ultrasound, Sagar Ghimire, Martina Rodriguez Sala, Swetha Chandrasekaran, Grigorios Raptopoulos, Marcus Worsley, Patrina Paraskevopoulou, Nicholas Leventis, Firouzeh Sabri Feb 2022

Noninvasive Detection, Tracking, And Characterization Of Aerogel Implants Using Diagnostic Ultrasound, Sagar Ghimire, Martina Rodriguez Sala, Swetha Chandrasekaran, Grigorios Raptopoulos, Marcus Worsley, Patrina Paraskevopoulou, Nicholas Leventis, Firouzeh Sabri

Chemistry Faculty Research & Creative Works

Medical implants are routinely tracked and monitored using different techniques, such as MRI, X‐ray, and ultrasound. Due to the need for ionizing radiation, the two former methods pose a significant risk to tissue. Ultrasound imaging, however, is non‐invasive and presents no known risk to human tissue. Aerogels are an emerging material with great potential in biomedical implants. While qualitative observation of ultrasound images by experts can already provide a lot of infor-mation about the implants and the surrounding structures, this paper describes the development and study of two simple B‐Mode image analysis techniques based on attenuation measurements and echogenicity comparisons, …


Multi-Walled Carbon Nanotube Supported Manganese Selenide As A Highly Active Bifunctional Oer And Orr Electrocatalyst, Harish Singh, Mckenzie Marley-Hines, Shatadru Chakravarty, Manashi Nath Feb 2022

Multi-Walled Carbon Nanotube Supported Manganese Selenide As A Highly Active Bifunctional Oer And Orr Electrocatalyst, Harish Singh, Mckenzie Marley-Hines, Shatadru Chakravarty, Manashi Nath

Chemistry Faculty Research & Creative Works

Transition metal selenides have attracted intensive interest as cost-effective electrocatalysts for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) because of the continuous thrust in sustainable energy conversion. In this article a Mn-based bifunctional electrocatalyst, MnSe, has been identified which shows efficient OER and ORR activity in alkaline medium. The catalytic activity could be further enhanced by using multiwalled carbon nanotubes (MWCNTs) which increases the charge transfer and electronic conductivity of the catalyst composite. This MnSe@MWCNT catalyst composite exhibits a very low overpotential of 290 mV at 10 mA cm−2, which outperforms state-of-the-art RuO2 as …


Epitaxial Electrodeposition Of Hole Transport Cuscn Nanorods On Au(111) At The Wafer Scale And Lift-Off To Produce Flexible And Transparent Foils, Bin Luo, Avishek Banik, Eric W. Bohannan, Jay A. Switzer Feb 2022

Epitaxial Electrodeposition Of Hole Transport Cuscn Nanorods On Au(111) At The Wafer Scale And Lift-Off To Produce Flexible And Transparent Foils, Bin Luo, Avishek Banik, Eric W. Bohannan, Jay A. Switzer

Chemistry Faculty Research & Creative Works

The wide bandgap p-type metal pseudohalide semiconductor copper(I) thiocyanate (CuSCN) can serve as a transparent hole transport layer in various opto-electronic applications such as perovsksite and organic solar cells and light-emitting diodes. The material deposits as one-dimensional CuSCN nanorod arrays, which are advantageous due to their high surface area and good charge transport properties. However, the growth of high-quality epitaxial CuSCN nanorods has remained a challenge. Here, we introduce a low cost and highly scalable room temperature procedure for producing epitaxial CuSCN nanorods on Au(111) by an electrochemical method. Epitaxial CuSCN grows on Au(111) with a high degree of in-plane …


Special Issue: Microbiota-Gut-Brain Axis, Mark Obrenovich, Prakash Reddy Feb 2022

Special Issue: Microbiota-Gut-Brain Axis, Mark Obrenovich, Prakash Reddy

Chemistry Faculty Research & Creative Works

No abstract provided.


Collisional Excitation And Non-Lte Modeling Of Interstellar Chiral Propylene Oxide, Karlis Dzenis, Alexandre Faure, B. A. Mcguire, A. J. Remijan, P. J. Dagdigian, C. Rist, Richard Dawes, Ernesto Quintas-Sánchez, F. Lique, M. Hochlaf Feb 2022

Collisional Excitation And Non-Lte Modeling Of Interstellar Chiral Propylene Oxide, Karlis Dzenis, Alexandre Faure, B. A. Mcguire, A. J. Remijan, P. J. Dagdigian, C. Rist, Richard Dawes, Ernesto Quintas-Sánchez, F. Lique, M. Hochlaf

Chemistry Faculty Research & Creative Works

The first set of theoretical rotational cross sections for propylene oxide (CH3CHCH2O) colliding with cold He atoms has been obtained at the full quantum level using a high-accuracy potential energy surface. By scaling the collision reduced mass, rotational rate coefficients for collisions with para-H2 are deduced in the temperature range 5-30 K. These collisional coefficients are combined with radiative data in a non-LTE radiative transfer model in order to reproduce observations of propylene oxide made toward the Sagittarius B2(N) molecular cloud with the Green Bank and Parkes radio telescopes. The three detected absorption lines are …


Noninvasive Detection, Tracking, And Characterization Of Aerogel Implants Using Diagnostic Ultrasound, Sagar Ghimire, Martina Rodriguez Sala, Swetha Chandrasekaran, Grigorios Raptopoulos, Marcus Worsley, Patrina Paraskevopoulou, Nicholas Leventis, Firouzeh Sabri Feb 2022

Noninvasive Detection, Tracking, And Characterization Of Aerogel Implants Using Diagnostic Ultrasound, Sagar Ghimire, Martina Rodriguez Sala, Swetha Chandrasekaran, Grigorios Raptopoulos, Marcus Worsley, Patrina Paraskevopoulou, Nicholas Leventis, Firouzeh Sabri

Chemistry Faculty Research & Creative Works

Medical implants are routinely tracked and monitored using different techniques, such as MRI, X‐ray, and ultrasound. Due to the need for ionizing radiation, the two former methods pose a significant risk to tissue. Ultrasound imaging, however, is non‐invasive and presents no known risk to human tissue. Aerogels are an emerging material with great potential in biomedical implants. While qualitative observation of ultrasound images by experts can already provide a lot of infor-mation about the implants and the surrounding structures, this paper describes the development and study of two simple B‐Mode image analysis techniques based on attenuation measurements and echogenicity comparisons, …


Collisional Excitation And Non-Lte Modeling Of Interstellar Chiral Propylene Oxide, Karlis Dzenis, Alexandre Faure, B. A. Mcguire, A. J. Remijan, P. J. Dagdigian, C. Rist, Richard Dawes, Ernesto Quintas-Sánchez, F. Lique, M. Hochlaf Feb 2022

Collisional Excitation And Non-Lte Modeling Of Interstellar Chiral Propylene Oxide, Karlis Dzenis, Alexandre Faure, B. A. Mcguire, A. J. Remijan, P. J. Dagdigian, C. Rist, Richard Dawes, Ernesto Quintas-Sánchez, F. Lique, M. Hochlaf

Chemistry Faculty Research & Creative Works

The first set of theoretical rotational cross sections for propylene oxide (CH3CHCH2O) colliding with cold He atoms has been obtained at the full quantum level using a high-accuracy potential energy surface. By scaling the collision reduced mass, rotational rate coefficients for collisions with para-H2 are deduced in the temperature range 5-30 K. These collisional coefficients are combined with radiative data in a non-LTE radiative transfer model in order to reproduce observations of propylene oxide made toward the Sagittarius B2(N) molecular cloud with the Green Bank and Parkes radio telescopes. The three detected absorption lines are found …


Comprehensive Evaluation Of A High-Temperature Resistant Re-Crosslinkable Preformed Particle Gel For Water Management, Bowen Yu, Shuda Zhao, Yifu Long, Baojun Bai, Thomas P. Schuman Feb 2022

Comprehensive Evaluation Of A High-Temperature Resistant Re-Crosslinkable Preformed Particle Gel For Water Management, Bowen Yu, Shuda Zhao, Yifu Long, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Gel treatment has been widely applied to control conformance for improving oil recovery and control water production in mature oil fields. However, most of the hydrogel systems are limited when being applied in the harsh environments of high temperatures. A systematic evaluation was conducted in this study to evaluate a modified PPG product, the high temperature resistant re-crosslinkable preformed particle gel (HT-RPPG) which can re-crosslink to form a bulky material and keep thermostable in the large-opening features after placement. This material was developed to overcome the limitations of conventional PPGs in the reservoirs with large- opening features such as open …


A Novel Branched Polymer Gel System With Delayed Gelation Property For Conformance Control, Tao Song, Qi Feng, Thomas P. Schuman, Jie Cao, Baojun Bai Feb 2022

A Novel Branched Polymer Gel System With Delayed Gelation Property For Conformance Control, Tao Song, Qi Feng, Thomas P. Schuman, Jie Cao, Baojun Bai

Chemistry Faculty Research & Creative Works

Excessive water production from oil reservoirs not only affects the economical production of oil, but it also results in serious environmental concerns. Polymer gels have been widely applied to decrease water production and thus improve oil production. However, traditional polymer gels such as partially hydrolyzed polyacrylamide (HPAM)/chromium (III) gel systems usually have a short gelation time and cannot meet the requirement of some conformance control projects. This paper introduces a novel polymer gel system of which crosslinking time can be significantly delayed. A branched polymer grafted from arginine by the surface initiation method is synthesized as the backbone, chromium acetate …


Special Issue: Microbiota–Gut–Brain Axis, Mark Obrenovich, V. (Prakash) Reddy Feb 2022

Special Issue: Microbiota–Gut–Brain Axis, Mark Obrenovich, V. (Prakash) Reddy

Chemistry Faculty Research & Creative Works

No abstract provided.


The Molecular Structure And Curious Motions In 1,1-Difluorosilacyclopent-3-Ene And Silacyclopent-3-Ene As Determined By Microwave Spectroscopy And Quantum Chemical Calculations, Thomas M.C. Mcfadden, Nicole Moon, Frank E. Marshall, Amanda J. Duerden, Esther J. Ocola, Jaan Laane, Gamil A. Guirgis, Garry S. Grubbs Jan 2022

The Molecular Structure And Curious Motions In 1,1-Difluorosilacyclopent-3-Ene And Silacyclopent-3-Ene As Determined By Microwave Spectroscopy And Quantum Chemical Calculations, Thomas M.C. Mcfadden, Nicole Moon, Frank E. Marshall, Amanda J. Duerden, Esther J. Ocola, Jaan Laane, Gamil A. Guirgis, Garry S. Grubbs

Chemistry Faculty Research & Creative Works

The molecules 1,1-difluorosilacyclopent-3-ene (3SiCPF2) and silacyclopent-3-ene (3SiCP) have been synthesized and studied using chirped pulse, Fourier transform microwave (CP-FTMW) spectroscopy. For 3SiCP this is the first ever microwave study of the molecule and, for 3SiCPF2, the spectra reported in this work have been combined with that of previous work in a global fit. The spectra of each contain splitting which has been fit using a Hamiltonian consisting of semirigid and Coriolis coupling parameters. A refit of the original 3SiCPF2 work was also carried out. All fits and approaches are reported. Analyses of the spectra provide evidence that the molecule is …


Chimeranet: U-Net For Hair Detection In Dermoscopic Skin Lesion Images, Norsang Lama, Reda Kasmi, Jason R. Hagerty, R. Joe Stanley, Reagan Harris Young, Jessica Miinch, Januka Nepal, Anand Nambisan, William V. Stoecker Jan 2022

Chimeranet: U-Net For Hair Detection In Dermoscopic Skin Lesion Images, Norsang Lama, Reda Kasmi, Jason R. Hagerty, R. Joe Stanley, Reagan Harris Young, Jessica Miinch, Januka Nepal, Anand Nambisan, William V. Stoecker

Electrical and Computer Engineering Faculty Research & Creative Works

Hair and ruler mark structures in dermoscopic images are an obstacle preventing accurate image segmentation and detection of critical network features. Recognition and removal of hairs from images can be challenging, especially for hairs that are thin, overlapping, faded, or of similar color as skin or overlaid on a textured lesion. This paper proposes a novel deep learning (DL) technique to detect hair and ruler marks in skin lesion images. Our proposed ChimeraNet is an encoder-decoder architecture that employs pretrained EfficientNet in the encoder and squeeze-and-excitation residual (SERes) structures in the decoder. We applied this approach at multiple image sizes …


Polybenzodiazine Aerogels: All-Nitrogen Analogues Of Polybenzoxazines Synthesis, Characterization, And High-Yield Conversion To Nanoporous Carbons, Vaibhav A. Edlabadkar, Saidulu Gorla, Rushi U. Soni, A. B.M.Shaheen Ud Doulah, Joseph Gloriod, Samuel Hackett, Nicholas Leventis, Chariklia Sotiriou-Leventis Jan 2022

Polybenzodiazine Aerogels: All-Nitrogen Analogues Of Polybenzoxazines Synthesis, Characterization, And High-Yield Conversion To Nanoporous Carbons, Vaibhav A. Edlabadkar, Saidulu Gorla, Rushi U. Soni, A. B.M.Shaheen Ud Doulah, Joseph Gloriod, Samuel Hackett, Nicholas Leventis, Chariklia Sotiriou-Leventis

Chemistry Faculty Research & Creative Works

Tetrahydroquinazoline (THQ) was designed as an all-nitrogen analogue of main-stream benzoxazine monomers. THQ solutions in DMF gelled at 100 °C via HCl-catalyzed ring-opening polymerization to polybenzodiazine (PBDAZ) wet gels, which were dried in an autoclave with supercritical fluid CO2 to aerogels. These as-prepared PBDAZ-100 aerogels undergo ring-fusion aromatization at 240 °C under O2. This oxidized form is referred to as PBDAZ-240. Chemical identification of PBDAZ-100 and PBDAZ-240 relied on consideration of all nine possible polymerization pathways, in combination with elemental analysis, infrared and solid-state 13C NMR spectroscopy, and 15N NMR spectroscopy of aerogels from the selectively 15N-enriched …


Synthesis And Process Optimization Of Colloidal Unimolecular Polymer, Cup, Particle Formation, And Its Interfacial Surface Tension Behavior, Ashish Zore Jan 2022

Synthesis And Process Optimization Of Colloidal Unimolecular Polymer, Cup, Particle Formation, And Its Interfacial Surface Tension Behavior, Ashish Zore

Doctoral Dissertations

"Colloidal Unimolecular Polymer (CUP) particles are 3-9 nm size single-chain polymer nanoparticles that are made from amphiphilic acrylic co-polymers using the process of water reduction. The formation of CUP particles was driven by the polymer-polymer interactions being greater than polymer-solvent interactions as well as the charge-charge repulsion due to the increasing dielectric of the medium. CUPs provide a surfactant or additive-free nanoparticle system that was useful for studying the interfacial behavior of pure aqueous nanoparticles using a maximum bubble pressure tensiometer. The equilibrium surface tension shows a dependence on concentration and the charge density of the CUP particle. The equilibrium …


Synthesis, Characterization And Chemistry Of Two-Dimensional Transition Metal Carbides And Nitrides (Mxenes), Shuohan Huang Jan 2022

Synthesis, Characterization And Chemistry Of Two-Dimensional Transition Metal Carbides And Nitrides (Mxenes), Shuohan Huang

Doctoral Dissertations

"MXenes represent a relatively new and quickly growing family of two-dimensional (2D) early transition-metal carbides and nitrides first synthesized in 2011 from bulk layered crystalline MAX phases. Because of their 2D structure and unique combination of high conductivity and hydrophilicity, MXenes have raised a significant interest for various applications. However, it has been found that in some cases colloidal MXene flakes are not stable and can spontaneously degrade on a time scale from hours to days. In this work, we investigate the crucial factors for MXene degradation and demonstrate gas analysis as a powerful method to gain further insights into …


Establishing Pteridine Metabolism In A Breast Cancer Cell Model And Quantification Of Silver Nanoparticle Interactions With Yeast Cells Using Mass Spectrometry, Lindsey Katherine Rasmussen Jan 2022

Establishing Pteridine Metabolism In A Breast Cancer Cell Model And Quantification Of Silver Nanoparticle Interactions With Yeast Cells Using Mass Spectrometry, Lindsey Katherine Rasmussen

Doctoral Dissertations

"Recent advances in analytical methods have furthered the quantitative insights that can be gleaned from cellular analyses, with applications in cancer and nanoparticle research. In the first part of the research presented, a recently developed HPLC-MS/MS method was advanced to elucidate pteridine metabolism in an isogenic progressive MCF10A breast cancer cell model. The folate-derived pteridine pathway in breast cells was established by individually dosing cell cultures with folic acid and 15 pteridines. Eight potential pteridine biomarkers in breast cancer cells were identified including pterin and isoxanthopterin, which yielded the first in vitro evidence for the cellular metabolisms behind previously reported …


Electrocatalytic Processes For Energy Storage & Conversion, Apurv Saxena Jan 2022

Electrocatalytic Processes For Energy Storage & Conversion, Apurv Saxena

Doctoral Dissertations

"The continuous excessive usage of fossil fuels has resulted in its fast depletion leading to an escalating energy crisis as well as several environmental issues leading to increased research towards sustainable energy conversion. Electrocatalysts play crucial role in the development of numerous novel energy conversion devices including fuel cells and solar fuel generators.

High-efficiency and cost-effective catalysts are required for large-scale implementation of these new devices. Over the last few years transition metal chalcogenides have emerged as highly efficient electrocatalysts for several electrochemical devices such as water splitting, carbon dioxide electroreduction and, solar energy converters. These transition metal chalcogenides exhibit …


Design And Synthesis Of Purine Based Neuroprotectors And Novel Synthetic Methods For The Trifluoromethylation Of Aldehyde Hydrazones, Puspa Aryal Jan 2022

Design And Synthesis Of Purine Based Neuroprotectors And Novel Synthetic Methods For The Trifluoromethylation Of Aldehyde Hydrazones, Puspa Aryal

Doctoral Dissertations

"Purine-derived compounds are widely investigated as cyclin-dependent kinase inhibitors that have broad applications in the design of pharmaceuticals for treating diseases, such as diabetes, atherosclerosis, and cancers. Towards the goal of effective AGE-inhibitors, and neuroprotector compounds we have synthesized a series of novel purine-based triazoles and investigated their neuroprotective effects, using SHSY-3Y human neuroblastoma cell line. Through these studies, we have identified purine-based neuroprotector compounds that favorably modulate oxidative stress induced by the Fenton reaction-generated reactive oxygen species (ROS).

The C(sp2−H)-trifluoromethylation of hydrazones would give access to the αtrifluoromethylated hydrazones that can serve as intermediates in the synthesis …