Katherine Leigh Young

ORCID: 0000-0001-9735-5366
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About
Contact & Profiles
Research Areas
  • Chemical Thermodynamics and Molecular Structure
  • Granular flow and fluidized beds
  • Phase Equilibria and Thermodynamics
  • Thermodynamic properties of mixtures
  • Mineral Processing and Grinding
  • Membrane Separation Technologies
  • Membrane-based Ion Separation Techniques
  • Thermal and Kinetic Analysis
  • Fluid Dynamics and Mixing
  • Solar-Powered Water Purification Methods
  • Analytical Chemistry and Chromatography
  • Spectroscopy and Chemometric Analyses

Purdue University West Lafayette
1977-2023

Common pharmaceutical reactions were modeled using the commercially available CHETAH program and novel TCIT to obtain heats of reaction values. The programs used predict thermochemical data for isolated molecules based on their functional groups. Both use group theory, CHETAH, through ASTM a more modern approach under development at Purdue. Reactions such as amide coupling (via both uronium reagent T3P), debenzylation, bromination, tert-butyloxycarbonyl deprotection, Suzuki couplings,...

10.1021/acs.oprd.2c00263 article EN Organic Process Research & Development 2022-11-10
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