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Full-Text Articles in Physical Sciences and Mathematics

Predicting The Reactions Of Cs2, Ocs, And Co2 With Group Iv And Group Vi Transition Metal Oxides, Marissa Shea Blair, Zachary Ryan Lee Phd, David A. Dixon Phd Jan 2024

Predicting The Reactions Of Cs2, Ocs, And Co2 With Group Iv And Group Vi Transition Metal Oxides, Marissa Shea Blair, Zachary Ryan Lee Phd, David A. Dixon Phd

Posters-at-the-Capitol

Building on a recent serious of high level electronic structure studies of Lewis acid gas reactions with metal oxide sorbents, DFT (B3LYP and ωB97X-D) and CCSD(T) methods are being used to predict the Lewis acid-base addition (physisorption) and formation of metal oxide carbonate/thiocarbonate formation (chemisorption) reactions of CS2, OCS, and CO2 of CS2, OCS, and CO2 with Group IV (MO2)n and Group VI (MO3)n (n = 1 - 3) nanoclusters. For the Group IV oxides, chemisorption to form terminal carbonates and thiocarbonates is predicted to be the most favored, with thiocarbonate ligand binding energies slightly more exothermic than their carbonate …


Dual Ionic Liquid-Functionalized Cellulosic Materials: Thermal, Mechanical And Conductive Properties, Elizabeth Mcgrew, Kevin M. Miller Phd Jan 2023

Dual Ionic Liquid-Functionalized Cellulosic Materials: Thermal, Mechanical And Conductive Properties, Elizabeth Mcgrew, Kevin M. Miller Phd

Posters-at-the-Capitol

Cellulose, an inexpensive and renewable biomacromolecule, represents an intriguing synthetic foundation for new materials with task-specific properties. Here, we wish to report a synthetic route for functionalizing cellulose with a side chain containing two ionic liquid functional groups using azide-alkyne ‘click’ cyclization strategy, followed by quaternization of the two resulting heterocycles (1,2,3-triazole and imidazole). Through this functionalization strategy, the resulting cellulosic materials exhibited significant softening, with several glass transition (Tg) values observed below room temperature, indicating the amorphous nature of the materials, with the Tg dependent on both the length of the side chain and the …


Strategies For Identifying Important Residues In The Trna Modification Protein Trm732, Alex K. Mullins, Natalie N. Creech, Holly Funk, Michael Guy Jan 2023

Strategies For Identifying Important Residues In The Trna Modification Protein Trm732, Alex K. Mullins, Natalie N. Creech, Holly Funk, Michael Guy

Posters-at-the-Capitol

Post-transcriptional tRNA modifications are required for efficient protein translation. In yeast, the Trm7 methyltransferase forms a complex with Trm732 to modify tRNA at position 32. In humans, lack of the human homolog for Trm7, FTSJ1, causes intellectual disability. Little is known about the function of Trm732, although we have shown that one conserved motif in Trm732 is important for tRNA modification. We have identified other residues important for function using two strategies. First, we compared Trm732 proteins of different organisms using protein alignments to determine conserved regions to mutate for testing. We have generated four new Trm732 variants and have …


One-Pot Conversion Of Carboxylic Acids To Aldehydes, Hannah Khan, Michael Nantz, Saurin Sutaria Jan 2022

One-Pot Conversion Of Carboxylic Acids To Aldehydes, Hannah Khan, Michael Nantz, Saurin Sutaria

Posters-at-the-Capitol

There are many different ways to convert a carboxylic text acid to an aldehyde. A common way to accomplish this transformation is to use multiple steps (e.g., reduction of the carboxylic acid to the corresponding alcohol followed by selective oxidation to the aldehyde). Our success in reducing the diacid muconic acid (1) to muconaldehyde (4) in a relatively mild, one-pot process has led us to examine whether the method can be expanded to other carboxylic acids. We report here our findings using benzoic acid as a representative substrate.


Wastewater-Based Estimation Of Substances Discharged At The Rest Areas Along The State Highways In Kentucky, Katherine E. Gray, Eugene Shin, Tyler Whitt, Andrew Windhorst, Houston Hampton, Chris Delcher, Bikram Subedi Jan 2022

Wastewater-Based Estimation Of Substances Discharged At The Rest Areas Along The State Highways In Kentucky, Katherine E. Gray, Eugene Shin, Tyler Whitt, Andrew Windhorst, Houston Hampton, Chris Delcher, Bikram Subedi

Posters-at-the-Capitol

The availability of licit and illicit stimulants and its adverse consequences on public health has emerged as a major drug threat to communities in the United States. Despite several drug-involved traffic incidents along the interstate highways, this report represents the first comprehensive and quantitative report of drugs discharged at the rest areas along the interstate highways. In this National Institute of Justice-funded study, the amount of several discharged drugs focusing on stimulants but also including opioids and prescription antipsychotics are being measured in raw wastewater collected from five rest areas and a truck servicing facility using a state-of-the-art mass …


Root Cause Analysis And Method Development Of Calorimetry Experiments, Anya M. Deaton, Lydia R. Deaton, John M. Farrar Dr. Nov 2019

Root Cause Analysis And Method Development Of Calorimetry Experiments, Anya M. Deaton, Lydia R. Deaton, John M. Farrar Dr.

Posters-at-the-Capitol

First year chemistry students learn a broad range of concepts that are also proven out in the lab environment. These concepts are a basis for a solid foundation for future chemistry learning. When the lab experiments don’t produce the expected results, students understanding in these concepts diminish and overall confidence and grades suffer. Our project details the root cause analysis and subsequent method development work for two experiments related to calorimetry; heat of solution and freezing point depression. The team sought to refine these experiments after finding that many of the students were unable to generate the expected results for …


Determination Of Cannabinoids, Cathinones, And Synthetic Fentanyls Using Wastewater-Based Epidemiology, Catherine O'Rourke, Bikram Subedi Oct 2019

Determination Of Cannabinoids, Cathinones, And Synthetic Fentanyls Using Wastewater-Based Epidemiology, Catherine O'Rourke, Bikram Subedi

Posters-at-the-Capitol

Unregulated new psychoactive substances (NPS) in “pure” or “preparation” forms are designed to mimic the effects of controlled substances, and are introduced and reintroduced in the market as a cheap substitute for established regulated drugs in quick succession to loophole the law enforcement efforts on combating drugs. For example, carfentanil, a synthetic opioid activates the opioid receptors similar to morphine but it is astoundingly potent compared to a typical drug of abuse (100 times more potent than fentanyl and 10,000 times more powerful than morphine). Based on the cost- and time-intensive forensic analysis, National Drug Early Warning System reported the …


Elevated Calcium Levels In Kentucky Lake: A Possible Emerging Problem With An Invasive Species, Adam T. Martin Nov 2018

Elevated Calcium Levels In Kentucky Lake: A Possible Emerging Problem With An Invasive Species, Adam T. Martin

Posters-at-the-Capitol

Zebra mussels (Dreissena polymorpha) are an exotic and invasive mollusk that have spread extensively through various rivers and lakes in the United States. These mussels are notorious for their “biofouling” capabilities costing billions of dollars in their removal from industrial, public, and power plant water supply lines. While having been present in the Tennessee River drainage with occasional small reproducing populations since the early 1990s, zebra mussels were never abundant or widespread. In 2017, high densities were found on structures and solid substrates throughout the lower portion of Kentucky Lake. Calcium is one of the essential elements that contributes …


Consumption Profiles Of Illicit And Neuropsychiatric Drugs In Urban And Rural Communities In Kentucky Using Sewage Epidemiology, Tara Croft, Katelyn Foppe, Rhiannon Huffines, Bikram Subedi Nov 2018

Consumption Profiles Of Illicit And Neuropsychiatric Drugs In Urban And Rural Communities In Kentucky Using Sewage Epidemiology, Tara Croft, Katelyn Foppe, Rhiannon Huffines, Bikram Subedi

Posters-at-the-Capitol

The drug overdose deaths in the USA increased by ~20% from 2015 to 2016 to the total >63,600 drug overdose deaths in 2016. Kentucky is among the highest rate of drug overdose death states in the USA. The current estimates of the prevalence of substance abuse are based on the self-reported surveys, overdose/toxicological reports, and drug-related crime statistics. Survey-based conventional approaches are not only cost and time-intensive but also underestimate the actual consumption of drugs. As “wastewater never lie,” the drug residues in raw wastewater collected from the centralized wastewater treatment plants were utilized to determine the consumption rate of …


Catalytic Deoxygenation Of Model And Realistic Feeds To Fuel-Like Hydrocarbons Over Supported Nickel-Copper Catalysts, Deyshon Ward, Kazi Javed Nov 2018

Catalytic Deoxygenation Of Model And Realistic Feeds To Fuel-Like Hydrocarbons Over Supported Nickel-Copper Catalysts, Deyshon Ward, Kazi Javed

Posters-at-the-Capitol

The goal was to make a renewable fuel by using catalysts to remove oxygen molecules from fats. This is a current issue that society faces today because nonrenewable fossil fuels hurt the environment more than they help it. There are two components that make up a heterogeneous catalyst, a support and a reduced metal active phase. The active metal phases Nickel, Palladium, Platinum have been studied in the past on an alumina and carbon supports. We were investigating other supports using Nickel as the active phase component to determine the effect the support has on the catalyst removing oxygen of …


An In Vitro Study On Skin Protection Across The Uv Spectra, Cheyenne Boone Nov 2018

An In Vitro Study On Skin Protection Across The Uv Spectra, Cheyenne Boone

Posters-at-the-Capitol

Skin cancer is the number one cancer in the United States. Lack of awareness of how harmful UV radiation is could be the cause of the over two million cases reported since 2012. It appears that there is not a lot information on the active ingredients used in sunscreens. Some of the compounds have been linked to birth defects, hormone disruptions, and the bleaching of coral reefs. Samples of commonly used sunscreens (both sprays and creams), cosmetic foundation, essential oils, lotions, and three pure organic actives were tested at specific concentrations and ran through a UV spectrometer. The results have …


Tunable Copper Complexes For Sustainable Photocatalysis, David Kline Nov 2017

Tunable Copper Complexes For Sustainable Photocatalysis, David Kline

Posters-at-the-Capitol

Photoredox catalysis has direct applications in sustainable chemistry and thus an immense impact on our environment. With the ability to harness energy directly from the sun to catalyze useful chemical reactions, photocatalysts can help to eliminate the need for harsh reaction conditions and reduce generation of hazardous chemical waste. Photocatalysts based on Earth-abundant metals such as copper have recently emerged as sustainable alternatives to rare-earth metals including iridium and ruthenium, which are no longer required for many photocatalyzed chemical transformations.


Graphene Quantum Dots Electrochemistry And Development Of Sensitive Electrochemical Biosensor [Hybrid Poster 1-B], Tyler Smith, Alexander Banaszak Nov 2016

Graphene Quantum Dots Electrochemistry And Development Of Sensitive Electrochemical Biosensor [Hybrid Poster 1-B], Tyler Smith, Alexander Banaszak

Posters-at-the-Capitol

Graphene quantum dots (GQDs) are zero-dimensional material derived from graphene derivatives with characteristics from the structure of graphene with quantum confinement and edge effects possessing unique properties. Intense research activity in GQDs is attributed to their novel physical-chemical phenomena arising from the sp2-bonded carbon core surrounded with edge functional moieties. In this work, GQDs of optimal 5-7 nm size are investigated for their fundamental electrochemical properties and use in electrochemical sensing including enzyme-based glucose biosensor. Glucose oxidase (GOx) was immobilized on GQDs modified glassy carbon (GC) and the UV-Vis absorption and fluorescence spectroscopy, electron microscopy, cyclic …


Molecular Sensitivity And Selectivity Of Metal Nanoparticles Decorated Graphene As ‘Smart’ Surface-Enhanced Raman Scattering (Sers) Platforms [Hybrid Poster 1-A], Alexander Banaszak, Tyler Smith Nov 2016

Molecular Sensitivity And Selectivity Of Metal Nanoparticles Decorated Graphene As ‘Smart’ Surface-Enhanced Raman Scattering (Sers) Platforms [Hybrid Poster 1-A], Alexander Banaszak, Tyler Smith

Posters-at-the-Capitol

Raman scattering signal enhancement that uses graphene as support, graphene-enhanced Raman scattering (GERS), is a recent phenomenon. It can produce clean and reproducible Raman signals of chemical molecules with significantly enhanced signal intensity in contrast to traditional surface- (SERS) and tip- enhanced Raman scattering (TERS) techniques. While enhancement in SERS and TERS arise due to the electromagnetic mechanism, GERS also relies on a chemical mechanism and therefore shows unique molecular sensitivity and selectivity. In this work, we developed graphene materials decorated with noble metal (silver and gold) nanoparticles for detection of different chemical molecules e.g. methylene blue (MB) and rhodamine …