In this work, metal-organic frameworks (MOFs) are computationally represented, generated, and evaluated. The organic linker molecules are represented as graphs and use graph grammars where the atoms are represented by nodes and the bonds are represented by arcs. The grammar rules that dictate the graph generation process work on the...
The utility of high-throughput, computational screening has become an invaluable asset to the field of materials science. In the hierarchy of computational methods, the most accurate methods are often the most computationally expensive. However, as both the efficiency and fidelity of numerical techniques advance, high-quality screening of large materials datasets...
Pesticides benefit agriculture by increasing crop yield, quality, and security. However, pesticides may inadvertently harm bees, which are valuable as pollinators. Thus, candidate pesticides in development pipelines must be assessed for toxicity to bees.
Leveraging a data set of 382 molecules with toxicity labels from honey bee exposure experiments, we...
Uses for materials with a large surface area and high porosity have grown sig-nificantly in recent years. Porous materials have found usage in applications such as separation, gas storage, sensing, purification and more, prompting researchers to find and discover numerous new porous materials to suit a specific purpose. Hundreds of...
This study examined the role of acid- sensing ion channels (ASICs) in interneuron synaptic modulation. ASICS are ultra fine discriminators of acidic conditions in the neuronal microenvironment. Each ASIC subunit isoform has innate, subtly different electrophysiological properties and tissue distributions. Structurally, ASICs may form homo- or heteromeric channels, yielding combinatorial...
Participation in regular physical activity is important for individuals with a mobility disability to decrease risk of chronic disease, improve quality of life, and maintain and improve functional ability. Consequently, there is a need for programs that can facilitate the adoption and maintenance of regular physical activity for adults with...
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Simon Driver
Abstract
Participation in regular physical activity is important for
In this thesis, data collected during the Dynamics of the Madden Julian Oscillation (DYNAMO) field campaign, conducted in the Indian Ocean in Fall of 2011, is used to compute heat fluxes at the air-sea interface by evaluating eddy covariances and bulk aerodynamic formulae. Errors in daily average gridded fluxes computed...
High-resolution ship-based observations of a nearly uniform stratocumulus deck in the southeast Pacific during 17 days of the 2008 VOCALS regional experiment elucidate radiation and turbulence in the marine boundary layer (MBL). A new method for prescribing observations-based cloud properties to the Rapid Radiative Transfer Model is presented and applied...
The RV Ronald H. Brown traveled a section of tropical Atlantic waters northeast of Barbados during January-February 2020 in an international collaboration effort known as Elucidating the Role of Clouds Circulation Coupling in Climate Campaign (EUREC4A). ATOMIC (Atlantic Trade-wind Ocean–Atmosphere Mesoscale Interaction Campaign) was the US contribution to EUREC4A focused...
Background: Spina bifida (SB) is the most common birth defect, affecting approximately 1 to 2 in 10,000 live births. SB is a complex disability with many associated, secondary, and chronic conditions that require lifelong medical care. Individuals with spina bifida (SB) are living longer with advances in medical care, and...