Digital Commons Network^™

Rapid Prediction Of Phonon Density Of States By Graph Neural Network And High-Throughput Screening Of Candidate Substrates For Wide Bandgap Electronic Cooling, Mohammed Saif Ali Al-Fahdi

Theses and Dissertations

Machine learning has demonstrated superior performance in predicting vast materials properties. However, predicting a continuous material property such as phonon density of states (DOS) is more challenging for machine learning due to the inherent issues of data smoothing and sensitivity to peak positions. In this work, phonon DOS of 2,931 inorganic cubic structures with 63 unique elements from the Open Quantum Materials Database are calculated by high precision density functional theory (DFT). With these training data, we build an equivariant graph neural network (GNN) for total phonon DOS of crystalline materials that utilizes site positions and atomic species as input …

Cationic Metallocene-Containing Biomaterials For Antimicrobial Applications, Parasmani Pageni

Theses and Dissertations

Metal-containing polymers or metallopolymers, are one of the major classes of polymers which stand out independently because of a unique combination of organic and inorganic components in one macromolecular system. Among the variety of metallopolymers, metallocene-containing polymers have been widely utilized for applications ranging from electrochemical sensors to templates for advanced inorganic catalysts to battery materials, due to their unique physicochemical properties. This dissertation is focused on the synthesis, characterization, and application of cationic metallocene-containing polymeric materials. Cationic-cobaltocenium was grafted in various inorganic nanoparticles using polymerization techniques such as reversible addition-fragmentation chain transfer polymerization.

In Chapter 1, the overall background …

Antimicrobial Biomaterials And Sustainable Polymers From Renewable Biomass, Mitra Shiran Ganewatta

Theses and Dissertations

In this dissertation, development of antimicrobial biomaterials and sustainable polymers from renewable biomass is described. In Chapter 1, an overview and recent development about sustainable polymers from renewable biomass, antimicrobial biomaterials and polymerization methods are given. Afterwards, the major research objectives of this doctoral research work are described.

Innovative cationic polymers containing pine resin sourced abietic acid is discussed in Chapter 2. The preparation of cationic compounds is conversed via a combination of Diels-Alder, catalytic esterification, quaternization and subsequent decoration of polycaprolactone that was prepared via ring-opening polymerization (ROP). Furthermore, the antimicrobial activity against a range of bacteria, biocompatibility with …

Pharmacokinetics Of Once-Daily Amikacin In Healthy Foals And Therapeutic Drug Monitoring In Hospitalized Equine Neonates, Erica Paige Bucki, Steeve Giguère, Margo Macpherson, Rachel E. Davis

Faculty Publications

The objectives of this study were to investigate the pharmacokinetics of once-daily amikacin in healthy neonates, to determine amikacin concentrations in hospitalized foals, and to determine the minimum inhibitory concentrations (MICs) of amikacin against gram-negative isolates from blood cultures in septic foals. Median half-life, clearance, and volume of distribution of amikacin in healthy 2- to 3-day-old foals after administration of an intravenous bolus of amikacin (25 mg/kg) were 5.07 hours (4.86-5.45 hours), 1.82 mL/min/kg (1.35-1.97 mL/min/kg), and 0.785 L/kg (0.638-0.862 L/kg), respectively. Statistically significant (P or = 3 microg/mL between the 2 groups. An initial dose at 25 mg/kg is …