In this report, three studies are presented that aid in the development of drug discovery and their synthesis. In each, the importance of the marriage between computations and experiments is highlighted. Continued efforts in this vein are essential for future efforts towards improving human health.
The first case study investigated...
Sunscreen products are used worldwide to protect the skin from ultraviolet radiation. However, some of the ingredients used in sunscreen products are fatal to coral reefs especially in areas where tourism is a large part of the economy. In this study, we explored a synthetic route to produce 4-deoxygadusol, which...
The red-sided garter snakes (Thamnophis sirtalis parietalis) of Manitoba, Canada, have been extensively studied for decades with little investigation into their immune system. These animals live very close to the arctic circle and spend over half of the year underground brumating. The annual cycle of the red-sided garter snakes make...
F1FO-ATP synthase targeting antimicrobials apoptolidin 1 (A1), (+)-erythromefloquine,
and oligomycin were tested in vitro for synergistic minimum inhibitory
concentrations against Staphylococcus aureus. Synergy was strictly defined as inhibition
by at most 25% the MIC of each participating drug. Ampicillin, with an MIC of 0.8
ug/mL, served as a negative control....
Complex organic transformations, such as the addition of pyrrole to ketene using planar chiral organocatalyst (*PPY), the four-component anhydride- Manniach reactions, and the site-selective desymmetrization of meso-1,2-diol, are remarkable synthetic reactions that provide high yield and high selectivity. However, the exact mechanism and origins of stereocontrol for theses synthetic organic...
The first part of this manuscript is about the total synthesis of the aspidosperma alkaloids leuconoxine, melodinine E and mersicarpine. Our synthetic strategy used a radical translocation-conjugate addition cascade to construct the core of the natural product. Specifically, a vinyl radical was generated from the homolysis of the C–I bond...
My work on computing complex catalyzed organic transformations reveals that only a few subtle chemical factors, e.g. non-classical hydrogen bonding, (hyper)conjugation and steric effects, common across different catalyst manifolds are critical for catalysis and selectivity. Rational manipulation and exploitation of these factors has led to improved catalyst designs, which has...
After the April 2010 explosion on the Deepwater Horizon oil rig, and subsequent release of millions of barrels of oil, two Corexit oil dispersant formulations were used in unprecedented quantities both on the surface and sub-surface of the Gulf of Mexico. Although the dispersant formulations contain four classes of surfactants,...
Full Text:
. Barsamian a,
PaulR. Blakemore a, Jennifer A. Field b,n
a Department of Chemistry, Oregon State University
After the April 2010 explosion on the Deepwater Horizon oil rig, and subsequent release of millions of barrels of oil, two Corexit oil dispersant formulations were used in unprecedented quantities both on the surface and sub-surface of the Gulf of Mexico. Although the dispersant formulations contain four classes of surfactants,...
Full Text:
. Place1, Matt J. Perkins2, Adam Barsamian1, Paul Blakemore1, Jennifer A. Field2 5
1 Department of