PhD defenses.

Tandem Insertion/Sigmatropic Rearrangements by Insertion of Rhodium Carbenes into Sulfur Bonds

Abstract:

This dissertation will focus on four main areas: The first aspect to be discussed will be reaction of allyl 2-diazo-2-phenylacetates with trimethylsilyl thioethers in the presence of rhodium(II) catalysts. These conditions generate α-allyl-α-thio silyl esters which undergo a spontaneous Ireland–Claisen rearrangement. Competing side-reactions, substrate scope and application will be explored.

Computational Methods in Drug Discovery: From Molecular Modeling To Library Design

Abstract: Advancements in computational methods have significantly impacted the field of drug discovery by enabling the exploration of complex molecular interactions and the design of diverse chemical libraries. This dissertation presents a study into various computational approaches aimed at enhancing the efficiency and efficacy of early stage drug discovery. Firstly, we investigate changes in the binding pocket of the L99A variant of T4 lysozyme upon binding of a congeneric series of ligands.

Dissertation Defense: From Catalysis to Co-drugs: Pyrazoles, Selenides and Anti-Cancer Immunotherapy

Abstract: Hydrofunctionalization, or the addition of an X–H bond across a π-bond, is an atom-economical method to quickly introduce new functionalities and stereochemistry into molecules. We developed a novel hydroamination using Pd-catalysis, and two regiodivergent hydroselenations promoted by light or Rh. Detailed mechanistic studies reveal interesting aspects of these reactions, including a unique ligand-ligand hydrogen transfer (LLHT) hydroamination mechanism and a novel β-seleno effect.

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