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Full-Text Articles in Physical Sciences and Mathematics

Near Real-Time Determination Of The Prevalence Of Cannabinoids, Cathinones, And Synthetic Opioids, Catherine O'Rourke, Bikram Subedi Oct 2019

Near Real-Time Determination Of The Prevalence Of Cannabinoids, Cathinones, And Synthetic Opioids, Catherine O'Rourke, Bikram Subedi

Scholars Week

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 of 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 …


Polycarbodiimides And Polyguanidines : Their Reactivity And Applications In Covalent Adaptable Networks, Alberto Melchor Bañales May 2019

Polycarbodiimides And Polyguanidines : Their Reactivity And Applications In Covalent Adaptable Networks, Alberto Melchor Bañales

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We have recently discovered a new chemical transformation in which N,N’,N’’ tri-substituted guanidines undergo a thermal exchange reaction. Kinetic investigations indicate that the transformation is first order with respect to the guanidine, indicating a dissociative mechanism in which a carbodiimide and amine are formed as intermediates. This new reaction has been applied to polymer systems. Polycarbodiimides were shown to undergo postpolymerization modification with amines to form polyguanidines at room temperature under an hour. Polyguanidines undergo the newly found chemical transformation to form different substituted polyguanidines. This exchange reaction will be applied to the preparation of a covalent adaptable network by …


Engineering Sortase; Activity And Selectivity Of New Hybrid And Ancestral Variants Of Sortase A, Sarah Struyvenberg May 2019

Engineering Sortase; Activity And Selectivity Of New Hybrid And Ancestral Variants Of Sortase A, Sarah Struyvenberg

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Bacterial sortase enzymes are a beneficial tool in innovative mechanisms of protein engineering. However, important limitations to utilization of sortases for engineered purposes exist; namely, that sortase A (SrtA) is a relatively poor enzyme and very specific for the substrate containing LPATXG motif. Exciting previous work from our collaborators reveals that sortases from different species recognize different sequences and that activity can vary. Therefore, we wanted to create and investigate hybrid sortase enzymes between SrtA from S. aureus and Streptococcus pneumoniae, wherein we swapped a substrate-interacting loop between the beta-E and beta-F strands. Our hypothesis is that these residues are …


Bottom-Up Shape Engineering Of Organic Molecular Single-Crystals, Griffin Reed May 2019

Bottom-Up Shape Engineering Of Organic Molecular Single-Crystals, Griffin Reed

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The ability to fabricate complex submicron-scale components from inorganic crystalline semiconductor materials such as c-Si enables countless modern technologies, from microelectromechanical systems to integrated circuits. For single-crystal molecular materials on the other hand, comparable approaches to defining micron- and submicron-scale structure are much less well developed, in part because weak intermolecular binding forces make molecular crystals vulnerable to damage by conventional techniques such as reactive ion etching, wet etching, and energetic beam milling. Here we show how the same weak forces that are problematic for top-down patterning of molecular crystals can be exploited to enable controlled bottom-up growth, by leveraging …


Hour-Level Resolution On Consumption Pattern Of Substance Abuse, Jarrett Mauk, Rhiannon Huffines, Brittney Nelson, Tara Croft, Bikram Subedi Apr 2019

Hour-Level Resolution On Consumption Pattern Of Substance Abuse, Jarrett Mauk, Rhiannon Huffines, Brittney Nelson, Tara Croft, Bikram Subedi

Scholars Week

Conventional survey-based approaches of determining the consumption statistics of drugs in communities are suffered from non-response biases, and typically underestimate the actual consumption. Time and cost-intensive conventional approaches, therefore, can’t be utilized to determine high-resolution temporal variability in drug consumption. In this study, the temporal trend of consumption of 10 illicit and 26 prescribed neuropsychiatric drugs was determined at hour-level resolution utilizing wastewater-based epidemiology. The hourly composite raw wastewater (every 10 minutes) samples were collected for three consecutive days in a typical week (total of 72 samples), analyzed for target drug residues using UPLC-MS/MS, and back-calculated the consumption rate of …


Uncertainties Treatment For Wastewater-Based Epidemiological Estimation Of The Consumption Of Illicit And Prescribed Neuropsychiatric Drugs In Two Urban Communities In Kentucky Using Ammonium Normalized Population And Monte Carlo Simulation, Rhinannon Huffines, Tara Croft, Manoj Pathak, Bikram Subedi Apr 2019

Uncertainties Treatment For Wastewater-Based Epidemiological Estimation Of The Consumption Of Illicit And Prescribed Neuropsychiatric Drugs In Two Urban Communities In Kentucky Using Ammonium Normalized Population And Monte Carlo Simulation, Rhinannon Huffines, Tara Croft, Manoj Pathak, Bikram Subedi

Scholars Week

The conventional estimation of the prevalence of substance use in a community based on self-reported surveys typically underestimates the actual consumption. Drug’s residues in raw wastewater collected from the centralized wastewater treatment plants were utilized – Wastewater-Based Epidemiology (WBE) – to determine the consumption rate of illicit and prescribed neuropsychiatric residues in two urban communities in eastern Kentucky and two rural communities in western Kentucky. The ammonical nitrogen content in raw wastewater samples was used to minimize the uncertainty associated with the population dynamicity. Uncertainties associated with the several WBE parameters to back-calculate the consumption rate of drugs such as …