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Full-Text Articles in Chemistry

Enhanced Neurologic Concept Recognition Using A Named Entity Recognition Model Based On Transformers, Sima Azizi, Daniel B. Hier, Donald C. Wunsch Dec 2022

Enhanced Neurologic Concept Recognition Using A Named Entity Recognition Model Based On Transformers, Sima Azizi, Daniel B. Hier, Donald C. Wunsch

Chemistry Faculty Research & Creative Works

Although Deep Learning Has Been Applied to the Recognition of Diseases and Drugs in Electronic Health Records and the Biomedical Literature, Relatively Little Study Has Been Devoted to the Utility of Deep Learning for the Recognition of Signs and Symptoms. the Recognition of Signs and Symptoms is Critical to the Success of Deep Phenotyping and Precision Medicine. We Have Developed a Named Entity Recognition Model that Uses Deep Learning to Identify Text Spans Containing Neurological Signs and Symptoms and Then Maps These Text Spans to the Clinical Concepts of a Neuro-Ontology. We Compared a Model based on Convolutional Neural Networks …


It’S Time To Change Our Documentation Philosophy: Writing Better Neurology Notes Without The Burnout, Jorge M. Rodríguez-Fernández, Jeffrey A. Loeb, Daniel B. Hier Nov 2022

It’S Time To Change Our Documentation Philosophy: Writing Better Neurology Notes Without The Burnout, Jorge M. Rodríguez-Fernández, Jeffrey A. Loeb, Daniel B. Hier

Chemistry Faculty Research & Creative Works

Succinct Clinical Documentation is Vital to Effective Twenty-First-Century Healthcare. Recent Changes in Outpatient and Inpatient Evaluation and Management (E/M) Guidelines Have Allowed Neurology Practices to Make Changes that Reduce the Documentation Burden and Enhance Clinical Note Usability. Despite Favorable Changes in E/M Guidelines, Some Neurology Practices Have Not Moved Quickly to Change their Documentation Philosophy. We Argue in Favor of Changes in the Design, Structure, and Implementation of Clinical Notes that Make Them Shorter Yet Still Information-Rich. a Move from Physician-Centric to Team Documentation Can Reduce Work for Physicians. Changing the Documentation Philosophy from "Bigger is Better" to "Short But …


Tau Kinetics In Alzheimer's Disease, Daniel B. Hier, Sima Azizi, Matthew S. Thimgan, Donald C. Wunsch Nov 2022

Tau Kinetics In Alzheimer's Disease, Daniel B. Hier, Sima Azizi, Matthew S. Thimgan, Donald C. Wunsch

Chemistry Faculty Research & Creative Works

The Cytoskeletal Protein Tau is Implicated in the Pathogenesis of Alzheimer's Disease Which is Characterized by Intra-Neuronal Neurofibrillary Tangles Containing Abnormally Phosphorylated Insoluble Tau. Levels of Soluble Tau Are Elevated in the Brain, the CSF, and the Plasma of Patients with Alzheimer's Disease. to Better Understand the Causes of These Elevated Levels of Tau, We Propose a Three-Compartment Kinetic Model (Brain, CSF, and Plasma). the Model Assumes that the Synthesis of Tau Follows Zero-Order Kinetics (Uncorrelated with Compartmental Tau Levels) and that the Release, Absorption, and Clearance of Tau is Governed by First-Order Kinetics (Linearly Related to Compartmental Tau Levels). …


Further Comments On "Engineering Shape Anisotropy Of Fe3o4-Γ-Fe2o3hollow Nanoparticles For Magnetic Hyperthermia", Fernande Grandjean, Gary J. Long Oct 2022

Further Comments On "Engineering Shape Anisotropy Of Fe3o4-Γ-Fe2o3hollow Nanoparticles For Magnetic Hyperthermia", Fernande Grandjean, Gary J. Long

Chemistry Faculty Research & Creative Works

In their earlier paper, Niraula et al. (ACS Appl. Nano Mater. 2021, 4, 3148-3158) described the morphological, compositional, and magnetic properties of three different magnetite/maghemite or Fe3O4/γ-Fe2O3, hollow nanoparticles, referred to herein as nanorings, short-nanotubes, and long-nanotubes. Scanning electron microscopy indicates that these nanoparticles have lengths of 275 ± 51, 411 ± 92, and 515 ± 98 nm and outer diameters of 201 ± 55, 251 ± 46, and 229 ± 42 nm, respectively, dimensions that are all rather similar in view of their distributions, as is shown in a figure herein. …


Origin Of The Second-Order Proton Catalysis Of Ferriin Reduction In Belousov-Zhabotinsky Reactions: Density Functional Studies Of Ferroin And Ferriin Aggregates With Outer Sphere Ligands Sulfate, Bisulfate, And Sulfuric Acid, Sara C. Mccauley, Rainer Glaser Oct 2022

Origin Of The Second-Order Proton Catalysis Of Ferriin Reduction In Belousov-Zhabotinsky Reactions: Density Functional Studies Of Ferroin And Ferriin Aggregates With Outer Sphere Ligands Sulfate, Bisulfate, And Sulfuric Acid, Sara C. Mccauley, Rainer Glaser

Chemistry Faculty Research & Creative Works

The detailed mechanisms of Belousov-Zhabotinsky oscillating reactions continue to present grand challenges, even after half a century of study. The origin of the pH dependence of the oscillation pattern had never been rigorously identified. In our recent kinetic study of one of the key Belousov-Zhabotinsky reactions, the iron-catalyzed bromate oxidation of malonic acid, compelling agreement between experiments and kinetic simulations was achieved only with the inclusion of second-order proton catalysis of the reduction of the [Fe(phen)3]3+ species. After exhausting all other avenues in search of an explanation of this proton catalysis, we considered the possibility that the …


Aircraft Engine Particulate Matter Emissions From Sustainable Aviation Fuels: Results From Ground-Based Measurements During The Nasa/Dlr Campaign Eclif2/Nd-Max, Tobias Schripp, Bruce E. Anderson, Uwe Bauder, Bastian Rauch, Joel C. Corbin, Greg J. Smallwood, Prem Lobo, Ewan C. Crosbie, Michael A. Shook, Richard C. Miake-Lye, Zhenhong Yu, Andrew Freedman, Philip D. Whitefield, Claire E. Robinson Oct 2022

Aircraft Engine Particulate Matter Emissions From Sustainable Aviation Fuels: Results From Ground-Based Measurements During The Nasa/Dlr Campaign Eclif2/Nd-Max, Tobias Schripp, Bruce E. Anderson, Uwe Bauder, Bastian Rauch, Joel C. Corbin, Greg J. Smallwood, Prem Lobo, Ewan C. Crosbie, Michael A. Shook, Richard C. Miake-Lye, Zhenhong Yu, Andrew Freedman, Philip D. Whitefield, Claire E. Robinson

Chemistry Faculty Research & Creative Works

The use of alternative jet fuels by commercial aviation has increased substantially in recent years. Beside the reduction of carbon dioxide emission, the use of sustainable aviation fuels (SAF) may have a positive impact on the reduction of particulate emissions. This study summarizes the results from a ground-based measurement activity conducted in January 2018 as part of the ECLIF2/ND-MAX campaign in Ramstein, Germany. Two fossil reference kerosenes and three different blends with the renewable fuel component HEFA-SPK (Hydroprocessed Esters and Fatty Acids Synthetic Paraffinic Kerosene) were burned in an A320 with V2527-A5 engines to investigate the effect of fuel naphthalene/aromatic …


Laboratory Evaluation Of A Novel Self-Healable Polymer Gel For Co2 Leakage Remediation During Co2 Storage And Co2 Flooding, Tao Song, Zhanmiao Zhai, Junchen Liu, Yugandhara Eriyagama, Mohamed Ahdaya, Adel Alotibi, Ze Wang, Thomas P. Schuman, Baojun Bai Sep 2022

Laboratory Evaluation Of A Novel Self-Healable Polymer Gel For Co2 Leakage Remediation During Co2 Storage And Co2 Flooding, Tao Song, Zhanmiao Zhai, Junchen Liu, Yugandhara Eriyagama, Mohamed Ahdaya, Adel Alotibi, Ze Wang, Thomas P. Schuman, Baojun Bai

Chemistry Faculty Research & Creative Works

For CO2 storage in subsurface reservoirs, one of the most crucial requirements is the ability to remediate the leakage caused by the natural fractures or newly generated fractures due to the increasing pore pressure associated with CO2 injection. For CO2 Enhanced Oil Recovery (EOR), high conductivity features such as fractures and void space conduits can severely restrict the CO2 sweep efficiency. Polymer gels have been developed to plug the leakage and improve the sweep efficiency. This work evaluated a CO2 resistant branched self-healable preformed particle gel (CO2-BRPPG) for CO2 plugging purpose. This …


Understanding The Effect Of Sodium Polyphosphate On Improving The Chemical Stability Of Ti3c2tz Mxene In Water, Shuohan Huang, Varun Natu, Jingyi Tao, Yumin Xia, Vadym Mochalin, Michel W. Barsoum Sep 2022

Understanding The Effect Of Sodium Polyphosphate On Improving The Chemical Stability Of Ti3c2tz Mxene In Water, Shuohan Huang, Varun Natu, Jingyi Tao, Yumin Xia, Vadym Mochalin, Michel W. Barsoum

Chemistry Faculty Research & Creative Works

Degradation of MXenes in aqueous environments severely limits the application and industrialization of this large family of two-dimensional (2D) materials. Hydrolysis and oxidation are now considered as two main degradation mechanisms and while significant efforts have been directed to prolonging the shelf-life of MXenes, separating and studying their degradation mechanisms have lagged behind. Herein, gas analysis via gas chromatography and Raman spectroscopy were used to investigate the effect of sodium polyphosphate, PP, on the degradation of Ti3C2Tz MXene. Transmission and scanning electron microscopies, as well as X-ray photoelectron spectroscopywere also used as complimentary techniques to …


Polyphenols And Small Phenolic Acids As Cellular Metabolic Regulators, Mark Obrenovich, Yi Li, Moncef Tayahi, V. Prakash Reddy Sep 2022

Polyphenols And Small Phenolic Acids As Cellular Metabolic Regulators, Mark Obrenovich, Yi Li, Moncef Tayahi, V. Prakash Reddy

Chemistry Faculty Research & Creative Works

Polyphenols and representative small phenolic acids and molecules derived from larger constituents are dietary antioxidants from fruits, vegetables and largely other plant-based sources that have ability to scavenge free radicals. What is often neglected in polyphenol metabolism is bioavailability and the role of the gut microbiota (GMB), which has an essential role in health and disease and participates in co-metabolism with the host. The composition of the gut microbiota is in constant flux and is modified by multiple intrinsic and extrinsic factors, including antibiotics. Dietary or other factors are key modulators of the host gut milieu. In this review, we …


Crystal Structure, Electronic Structure, And Optical Properties Of The Novel Li4cdge2s7, A Wide-Bandgap Quaternary Sulfide With A Polar Structure Derived From Lonsdaleite, Andrew J. Craig, Seung Han Shin, Jeong Bin Cho, Srikanth Balijapelly, Jordan C. Kelly, Stanislav S. Stoyko, Amitava Choudhury, Joon I. Jang, Jennifer A. Aitken, A. Sarjeant Sep 2022

Crystal Structure, Electronic Structure, And Optical Properties Of The Novel Li4cdge2s7, A Wide-Bandgap Quaternary Sulfide With A Polar Structure Derived From Lonsdaleite, Andrew J. Craig, Seung Han Shin, Jeong Bin Cho, Srikanth Balijapelly, Jordan C. Kelly, Stanislav S. Stoyko, Amitava Choudhury, Joon I. Jang, Jennifer A. Aitken, A. Sarjeant

Chemistry Faculty Research & Creative Works

The novel quaternary thiogermanate Li4CdGe2S7 (tetralithium cadmium digermanium heptasulfide) was discovered from a solid-state reaction at 750 °C. Single-crystal X-ray diffraction data were collected and used to solve and refine the structure. Li4CdGe2S7 is a member of the small, but growing, class of I4-II-IV2-VI7 diamond-like materials. The compound adopts the Cu5Si2S7 structure type, which is a derivative of lonsdaleite. Crystallizing in the polar space group Cc, Li4CdGe2S7 contains 14 crystallographically unique ions, all residing on …


Advanced Glycation End Products In Health And Disease, V. Prakash Reddy, Puspa Aryal, Emmanuel K. Darkwah Sep 2022

Advanced Glycation End Products In Health And Disease, V. Prakash Reddy, Puspa Aryal, Emmanuel K. Darkwah

Chemistry Faculty Research & Creative Works

Advanced glycation end products (AGEs), formed through the nonenzymatic reaction of reducing sugars with the side-chain amino groups of lysine or arginine of proteins, followed by further glycoxidation reactions under oxidative stress conditions, are involved in the onset and exacerbation of a variety of diseases, including diabetes, atherosclerosis, and Alzheimer's disease (AD) as well as in the secondary stages of traumatic brain injury (TBI). AGEs, in the form of intra- and interprotein crosslinks, deactivate various enzymes, exacerbating disease progression. The interactions of AGEs with the receptors for the AGEs (RAGE) also result in further downstream inflammatory cascade events. The overexpression …


Cobalt Telluride Electrocatalyst For Selective Electroreduction Of Co2 To Value-Added Chemicals, Apurv Saxena, Harish Singh, Manashi Nath Aug 2022

Cobalt Telluride Electrocatalyst For Selective Electroreduction Of Co2 To Value-Added Chemicals, Apurv Saxena, Harish Singh, Manashi Nath

Chemistry Faculty Research & Creative Works

Recent emphasis on carbon dioxide utilization has necessitated the exploration of different catalyst compositions other than copper-based systems that can significantly improve the activity and selectivity towards specific CO2 reduction products at low applied potential. In this study, a binary CoTe has been reported as an efficient electrocatalyst for CO2 reduction in aqueous medium under ambient conditions at neutral pH. CoTe showed high Faradaic efficiency and selectivity of 86.83 and 75%, respectively, for acetic acid at very low potential of − 0.25 V vs RHE. More intriguingly, C1 products like formic acid was formed preferentially at slightly higher …


Combination Of High Ph And An Antioxidant Improves Chemical Stability Of Two-Dimensional Transition-Metal Carbides And Carbonitrides (Mxenes) In Aqueous Colloidal Solutions, Shuohan Huang, Vadym Mochalin Jul 2022

Combination Of High Ph And An Antioxidant Improves Chemical Stability Of Two-Dimensional Transition-Metal Carbides And Carbonitrides (Mxenes) In Aqueous Colloidal Solutions, Shuohan Huang, Vadym Mochalin

Chemistry Faculty Research & Creative Works

MXenes, a large family of two-dimensional (2D) transition-metal carbides/nitrides, have attracted increased attention in recent years because of their excellent electronic, mechanical, thermal, and optical properties. Studying chemical properties of MXenes is important to prolong the shelf life of their colloids and provide robust performance of MXenes in devices and applications. While the role of MXene reactivity with the environment, including water and components of air, is becoming more recognized, less is known about the role of parameters influencing the reactivity. In this work, we investigate the individual and combined effects of the pH and antioxidant on chemical stability of …


Ultrasmall Nanodiamonds: Perspectives And Questions, Shery L.Y. Chang, Philipp Reineck, Anke Krueger, Vadym Mochalin Jun 2022

Ultrasmall Nanodiamonds: Perspectives And Questions, Shery L.Y. Chang, Philipp Reineck, Anke Krueger, Vadym Mochalin

Chemistry Faculty Research & Creative Works

Nanodiamonds are at the heart of a plethora of emerging applications in areas ranging from nanocomposites and tribology to nanomedicine and quantum sensing. The development of alternative synthesis methods, a better understanding, and the availability of ultrasmall nanodiamonds of less than 3 nm size with a precisely engineered composition, including the particle surface and atomic defects in the diamond crystal lattice, would mark a leap forward for many existing and future applications. Yet today, we are unable to accurately control nanodiamond composition at the atomic scale, nor can we reliably create and isolate particles in this size range. In this …


Carbon Nanotube Encapsulated Metal Selenide Nanostructures For Efficient Electrocatalytic Oxygen Evolution Reaction, Harish Singh, Wipula P.R. Liyanage, Manashi Nath Jun 2022

Carbon Nanotube Encapsulated Metal Selenide Nanostructures For Efficient Electrocatalytic Oxygen Evolution Reaction, Harish Singh, Wipula P.R. Liyanage, Manashi Nath

Chemistry Faculty Research & Creative Works

Nickel selenide nanowires were grown inside carbon nanotubes through in situ encapsulation via one-step chemical vapor deposition. These NiSe2@CNT nanohybrids showed excellent electrocatalytic activity for water splitting with a low overpotential of 260 mV at 10 mA cm−2, high current density, and extended stability owing to the synergistic effect between NiSe2 and CNTs.


Examining Metal Contents In Primary And Secondhand Aerosols Released By Electronic Cigarettes, Kashala Fabrice Kapiamba, Weixing Hao, Stephen Adom, Wenyan Liu, Yue-Wern Huang, Yang Wang Jun 2022

Examining Metal Contents In Primary And Secondhand Aerosols Released By Electronic Cigarettes, Kashala Fabrice Kapiamba, Weixing Hao, Stephen Adom, Wenyan Liu, Yue-Wern Huang, Yang Wang

Chemistry Faculty Research & Creative Works

The usage of electronic cigarettes (ECs) has surged since their invention two decades ago. However, to date, the health effects of EC aerosol exposure are still not well understood because of insufficient data on the chemical composition of EC aerosols and the corresponding evidence of health risks upon exposure. Herein, we quantified the metals in primary and secondhand aerosols generated by three brands of ECs. By combining aerosol filter sampling and inductively coupled plasma mass spectrometry (ICP-MS), we assessed the mass of metals as a function of EC flavoring, nicotine concentration, device power, puff duration, and aging of the devices. …


Chiral Recognition Of Hydantoin Derivatives Enabled By Tetraaza Macrocyclic Chiral Solvating Agents Using 1H Nmr Spectroscopy, Jie Wen, Lei Feng, Hongmei Zhao, Li Zheng, Pericles Stavropoulos, Lin Ai, Jiaxin Zhang Jun 2022

Chiral Recognition Of Hydantoin Derivatives Enabled By Tetraaza Macrocyclic Chiral Solvating Agents Using 1H Nmr Spectroscopy, Jie Wen, Lei Feng, Hongmei Zhao, Li Zheng, Pericles Stavropoulos, Lin Ai, Jiaxin Zhang

Chemistry Faculty Research & Creative Works

Enantiomers of a series of hydantoin derivatives were prepared from d- and l-amino acids with p-tolyl isocyanate and 3,5-bis(trifluoromethyl)phenyl isocyanate as guests for chiral recognition by 1H NMR spectroscopy. Meanwhile, several tetraaza macrocyclic compounds were synthesized as chiral solvating agents from d-phenylalanine and (1S,2S)-(+)-1,2-diaminocyclohexane. An uncommon enantiomeric discrimination has been successfully established for hydantoin derivatives, representatives of five-membered N,N-heterocycles, in the presence of tetraaza macrocyclic chiral solvating agents (TAMCSAs) 1a-1c by means of 1H NMR spectroscopy. Several unprecedented nonequivalent chemical shifts (up to 1.309 ppm) were observed in the split 1H NMR spectra. To evaluate practical applications …


Preparation Of Carbon Aerogels From Polymer-Cross-Linked Xerogel Powders Without Supercritical Fluid Drying And Their Application In Highly Selective Co2adsorption, Rushi U. Soni, Vaibhav A. Edlabadkar, Daniel Greenan, Parwani M. Rewatkar, Nicholas Leventis, Chariklia Sotiriou-Leventis Jun 2022

Preparation Of Carbon Aerogels From Polymer-Cross-Linked Xerogel Powders Without Supercritical Fluid Drying And Their Application In Highly Selective Co2adsorption, Rushi U. Soni, Vaibhav A. Edlabadkar, Daniel Greenan, Parwani M. Rewatkar, Nicholas Leventis, Chariklia Sotiriou-Leventis

Chemistry Faculty Research & Creative Works

Carbon aerogels are well-known materials for their high porosity and high surface areas. They are typically made from pyrolysis of carbonizable polymeric aerogels. Here, we report an alternative route to monolithic carbon aerogels starting from xerogel powders. Use of powders speeds up solvent exchanges along sol-gel processing, and xerogelling bypasses the supercritical fluid drying step that is needed for making polymeric aerogels. Overall, this alternative route results in time, energy, and materials efficiency in the fabrication of carbon aerogels. Specifically, polymer-cross-linked silica xerogel powders were prepared via free-radical surface-initiated polymerization of acrylonitrile (AN) on a suspension of silica particles derived …


Synthesis, Physicochemical Characterization, And Catalytic Evaluation Of Fe3+-Containing Ssz-70 Zeolite, Christopher M. Lew, Cong Yan Chen, Gary J. Long, Fernande Grandjean, Andrew S. Ichimura, Dan Xie, Nicolás A. Grosso-Giordano, Khetpakorn Chakarawet, Howard S. Lacheen, Kurt O. Jensen, Abraham Martinez, Alexander Katz, Bi Zeng Zhan, Stacey I. Zones Jun 2022

Synthesis, Physicochemical Characterization, And Catalytic Evaluation Of Fe3+-Containing Ssz-70 Zeolite, Christopher M. Lew, Cong Yan Chen, Gary J. Long, Fernande Grandjean, Andrew S. Ichimura, Dan Xie, Nicolás A. Grosso-Giordano, Khetpakorn Chakarawet, Howard S. Lacheen, Kurt O. Jensen, Abraham Martinez, Alexander Katz, Bi Zeng Zhan, Stacey I. Zones

Chemistry Faculty Research & Creative Works

Whereas one-dimensional, 10-membered ring zeolites are typically used for hydroisomerization, Fe3+-containing SSZ-70 (Fe-SSZ-70) shows remarkable isomerization selectivity for a zeolite containing 12- and partially blocked 14-membered rings, in addition to 10-membered rings. Fe-SSZ-70 was compared to Al3+-containing SSZ-70 (Al-SSZ-70) in constraint index and n-decane hydrocracking tests. Fe-SSZ-70 exhibited a 74% total isomer yield (64% yield of monobranched isomers and 10% cracking yield) at 85% conversion compared to 49% total isomer yield (41% yield of monobranched isomers and 36% cracking yield) for Al-SSZ-70 at the same conversion. The selectivity to isomerization is attributed to the weaker acid …


Equilibrium And Dynamic Surface Tension Behavior In Colloidal Unimolecular Polymers (Cup), Ashish Zore, Peng Geng, Michael R. Van De Mark Jun 2022

Equilibrium And Dynamic Surface Tension Behavior In Colloidal Unimolecular Polymers (Cup), Ashish Zore, Peng Geng, Michael R. Van De Mark

Chemistry Faculty Research & Creative Works

Studies of the interfacial behavior of pure aqueous nanoparticles have been limited due tothe difficulty of making contaminant-free nanoparticles while also providing narrow size distribu-tion. Colloidal unimolecular polymers (CUPs) are a new type of single-chain nanoparticle with a particle size ranging from 3 to 9 nm, which can be produced free of surfactants and volatile organic contents (VOCs). CUP particles of different sizes and surface charges were made. The surface tension behavior of these CUP particles in water was studied using a maximum bubble pressure tensiometer. The equilibrium surface tension decreased with increasing concentration and the number of charges present …


State-To-State Rate Coefficients For Hcs+In Rotationally Inelastic Collisions With H2at Low Temperatures, Otoniel Denis-Alpizar, Ernesto Quintas-Sánchez, Richard Dawes Jun 2022

State-To-State Rate Coefficients For Hcs+In Rotationally Inelastic Collisions With H2at Low Temperatures, Otoniel Denis-Alpizar, Ernesto Quintas-Sánchez, Richard Dawes

Chemistry Faculty Research & Creative Works

HCS+ ions have been detected in several regions of the interstellar medium (ISM), but an accurate determination of the chemical-physical conditions in the molecular clouds where this molecule is observed requires detailed knowledge of the collisional rate coefficients with the most common colliders in those environments. In this work, we study the dynamics of rotationally inelastic collisions of HCS+ + H2 at low temperature, and report, for the first time, a set of rate coefficients for this system. We used a recently developed potential energy surface for the HCS+-H2 van der Waals complex and …


Equilibrium And Dynamic Surface Tension Behavior In Colloidal Unimolecular Polymers (Cup), Ashish Zore, Peng Geng, Michael R. Van De Mark Jun 2022

Equilibrium And Dynamic Surface Tension Behavior In Colloidal Unimolecular Polymers (Cup), Ashish Zore, Peng Geng, Michael R. Van De Mark

Chemistry Faculty Research & Creative Works

Studies of the interfacial behavior of pure aqueous nanoparticles have been limited due tothe difficulty of making contaminant-free nanoparticles while also providing narrow size distribu-tion. Colloidal unimolecular polymers (CUPs) are a new type of single-chain nanoparticle with a particle size ranging from 3 to 9 nm, which can be produced free of surfactants and volatile organic contents (VOCs). CUP particles of different sizes and surface charges were made. The surface tension behavior of these CUP particles in water was studied using a maximum bubble pressure tensiometer. The equilibrium surface tension decreased with increasing concentration and the number of charges present …


Aircraft-Engine Particulate Matter Emissions From Conventional And Sustainable Aviation Fuel Combustion: Comparison Of Measurement Techniques For Mass, Number, And Size, Joel C. Corbin, Tobias Schripp, Bruce E. Anderson, Greg J. Smallwood, Patrick Leclercq, Ewan C. Crosbie, Steven Achterberg, Philip D. Whitefield, Richard C. Miake-Lye, Zhenhong Yu, Andrew Freedman, Max B. Trueblood, David Satterfield, Wenyan Liu May 2022

Aircraft-Engine Particulate Matter Emissions From Conventional And Sustainable Aviation Fuel Combustion: Comparison Of Measurement Techniques For Mass, Number, And Size, Joel C. Corbin, Tobias Schripp, Bruce E. Anderson, Greg J. Smallwood, Patrick Leclercq, Ewan C. Crosbie, Steven Achterberg, Philip D. Whitefield, Richard C. Miake-Lye, Zhenhong Yu, Andrew Freedman, Max B. Trueblood, David Satterfield, Wenyan Liu

Chemistry Faculty Research & Creative Works

Sustainable aviation fuels (SAFs) have different compositions compared to conventional petroleum jet fuels, particularly in terms of fuel sulfur and hydrocarbon content. These differences may change the amount and physicochemical properties of volatile and non-volatile particulate matter (nvPM) emitted by aircraft engines. In this study, we evaluate whether comparable nvPM measurement techniques respond similarly to nvPM produced by three blends of SAFs compared to three conventional fuels. Multiple SAF blends and conventional (Jet A-1) jet fuels were combusted in a V2527-A5 engine, while an additional conventional fuel (JP-8) was combusted in a CFM56-2C1 engine. We evaluated nvPM mass concentration measured …


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 …


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 …


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 …


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 …


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 …