Physical Sciences and Mathematics Commons^™

Quantum Mechanics-Based Computational Chemistry Has Become A Powerful Partner In The Scientific Research Of Nitrogen-Rich Compounds, Paving The Way For Important Advances In Biochemical, Pharmacological And Other Related Fields, Dobrushe Denburg

Student Theses and Dissertations

The Computational Chemistry of Nitrogen-Rich Compounds; Insight into Pioneering Research

Nitrogen-rich functional groups have long been studied for their diversity; nitrogen can form single, double and triple bonds with itself, and will therefore exist in a very broad range of molecular arrangements. Poly-nitrogen compounds are highly energetic and electron rich, and many compounds display unique properties that allow participation in very specialized chemical reactions. Of import is their ubiquity in biological systems, and throughout the past century and currently, their biological relevance is deeply and widely explored in biochemistry and biomedicine, from their involvement in natural biological processes and complex …

Characterization Of 1, 4, 7-Trithiacyclononane, [9]Anes3 As A Potential Toxic Heavy Metal Chelator, Nahid Bakhtari

Student Theses and Dissertations

Toxic heavy metal poisoning with metals including lead, mercury, and cadmium, whether in the environment or through ingestion, remains a persistent problem. Remediation of metal contamination and poisoning has generally been treated with chelating agents that bind metals, rendering them inert, and allow for easier removal. Chelation involves the formation of two or more separate coordinate covalent bonds between a polydentate ligand and a single central atom. However, chelators are not without side effects. Due to the similar size of metal ions and lack of specificity of ligands, chelators can also remove beneficial metals like iron and zinc from the …