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Full-Text Articles in Physical Sciences and Mathematics

Rational Design Of Multifunctional Enzyme-Like Catalysts For Assembly-Line Chemical Synthesis, David Michaelis Jun 2019

Rational Design Of Multifunctional Enzyme-Like Catalysts For Assembly-Line Chemical Synthesis, David Michaelis

Journal of Undergraduate Research

The main objectives of this proposal was to publish our preliminary findings in peptide catalysis and then submit applications for external funding. Both of these objectives were accomplished during the grant period. In the Fall of 2017, we published our first paper on the development of our new enzyme-like catalysts (ACS Catal. 2017, 7, 7704–7708). This publication should serve as a springboard for additional publications in the area (on which we are currently working) and help ensure external funding for this project. During 2017-2018, we submitted 3 grant applications to the NIH to help support this project. These submissions have …


The Development Of Individualized Anemia Treatments Using Point Of Care Diagnostics To Distinguish Anemia Caused By Infection Or Chronic Inflammation, Dr. Richard Watt Jun 2019

The Development Of Individualized Anemia Treatments Using Point Of Care Diagnostics To Distinguish Anemia Caused By Infection Or Chronic Inflammation, Dr. Richard Watt

Journal of Undergraduate Research

Background: Anemia that accompanies inflammation is associated with negative outcomes for patients. Early intervention to treat anemia is an important step in improving the quality of life for anemic patients. Our lab proposed to develop simple diagnostic tests using a Lateral Flow Immunoassays (LFIs) to measure the presence of a hormone called hepcidin because hepcidin is the master regulator of iron homeostasis in the body and elevated hepcidin levels lead to anemia.


Modeling Main Group Metal Alkane Functionalization Reactions In Highly Acidic Carboxylic And Sulfuric Acid Solvents, Lily H. Carlson, Daniel H. Ess Jun 2019

Modeling Main Group Metal Alkane Functionalization Reactions In Highly Acidic Carboxylic And Sulfuric Acid Solvents, Lily H. Carlson, Daniel H. Ess

Journal of Undergraduate Research

Our group is interested in identifying the unknown mechanisms of main-group C-H functionalization reactions. In the long term, our goal is to use computational chemistry tools to develop general principles on mechanisms, intermediates, reactivity, and selectivity for hydrocarbon C-H functionalization reactions by p-block main-group compounds as well as provide prediction of new catalysts and reactions. However, in providing these predictions, it remains unclear if different mechanistic pathways and intermediates will be predicted if examined in a complete solvent sphere (see Figure 1 for technical details). This is especially important for non-aqueous solvents such as carboxylic acids and sulfuric acid. To …


Cyclic Peptide Catalyst Design, Millicent Campbell, David Michaelis Jun 2019

Cyclic Peptide Catalyst Design, Millicent Campbell, David Michaelis

Journal of Undergraduate Research

Enzymes found in nature are more efficient catalysts than those used in organic chemistry labs. However, natural enzymes are not ideal for organic synthesis because they only make one product and only work in specific conditions. The Michaelis lab designed a catalyst capable of mimicking enzyme-like reactivity in the lab. This catalyst consists of an alpha helix with an imidazolidinone catalyst and a thiourea catalyst (see figure 1). The imidazolidinone catalyst and thiourea catalysts are attached adjacent to each other on the alpha helix, which acts as a rigid scaffold that can mimic the proximity effects seen in natural enzymes. …


Heterodinuclear Co-Zr Compound Shows Increased Reactivity In Kumada Coupling, James Coombs, Daniel Ess Jun 2019

Heterodinuclear Co-Zr Compound Shows Increased Reactivity In Kumada Coupling, James Coombs, Daniel Ess

Journal of Undergraduate Research

Heterodinuclear compounds containing a metal–metal bond represent a potentially useful subclass of catalyst in organic synthesis. Heterodinuclear compounds offer the possibility of increased reactivity due to interactions between metal centers (Scheme 1A). These so-called cooperative effects can enhance reactivity by changing the electronic density, increasing nucleophilicity/electrophilicity of the reactive metal, and by lowering the energy barriers for changes in oxidation state. These changes in reactivity can allow a heterodinuclear compound to be an effective catalyst for many chemical reactions that would be unfeasible with a mononuclear analogue.