Physical Sciences and Mathematics Commons^™

Developing Iron Complexes For Electrocatalytic Hydrogen Generation, Benjamin Travis

Undergraduate Honors Theses

Artificial photosynthesis systems convert solar energy into chemical fuels such as hydrogen gas. Photocatalytic hydrogen generation systems have previously been developed, but reliance on expensive metal catalysts limits the viability of these systems. In order for artificial photosynthesis to be used as a large-scale clean energy solution, it is crucial to discover more active and cost-efficient catalysts.

To this end, several novel iron polypyridyl complexes were synthesized using relatively inexpensive reactants. Electrochemical testing revealed that these complexes are active electrocatalysts for the reduction of protons to generate hydrogen gas. Furthermore, a naphthalene-terminated iron polypyridyl complex was found to be an …

Molecular Cluster Fragment Machine Learning Training Techniques To Predict Energetics Of Brown Carbon Aerosol Clusters, Emily E. Chappie

Undergraduate Honors Theses

Density functional theory (DFT) has become a popular method for computational work involving larger molecular systems as it provides accuracy that rivals ab initio methods while lowering computational cost. Nevertheless, computational cost is still high for systems greater than ten atoms in size, preventing their application in modeling realistic atmospheric systems at the molecular level. Machine learning techniques, however, show promise as cost-effective tools in predicting chemical properties when properly trained. In the interest of furthering chemical machine learning in the field of atmospheric science, I have developed a training method for predicting cluster energetics of newly characterized nitrogen-based brown …

Proteomic Analysis Of Mycobacteriophage Crimd, William Moeller

Undergraduate Honors Theses

Bacteriophages represent a large portion of the biomatter on our planet, and many of them have yet to be fully characterized. Here we discuss the proteomic analysis of a particular Bacteriophage, Mycobacteriophage CrimD. This phage was discovered on the Campus of William & Mary and has had its genome characterized. We took the next logical step of proteomic analysis.

In our analyses we made use high pressure liquid chromatography paired with linear ion trap mass spectrometry to analyze the proteome of CrimD at specific time points after the infection of its host, Mycobacterium smegmatis. Additionally, we used nanospray ionization with …

Investigating Charge Transfer Complexes In Brown Carbon Aerosols, Brianna Peterson

Undergraduate Honors Theses

Aerosols are suspensions of particles in the air, commonly seen as dust or fog in the atmosphere. Brown carbon is a particular classification of carbonaceous atmospheric aerosol that increases in absorption from the visible to ultraviolet region, making it important for radiative forcing models. Elucidating the structures of brown carbon chromophores has been difficult as brown carbon is a broad category and the chromophore type can change depending on emission source, temperature, humidity, and season. Twisted intramolecular charge transfer (TICT) molecules have been identified as potential brown carbon chromophores. TICT molecules are those that allow charge transfer to occur between …