LAUSR

Selective Deuteration Improves the Affinity of Adenosine A2A Receptor Ligands: A Computational Case Study with Istradefylline and Caffeine

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2 Published in 2023 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.3c00424

Abstract: We used a range of computational techniques to assess the effect of selective C-H deuteration on the antagonist istradefylline affinity for the adenosine A2A receptor, which was discussed relative to its structural analogue caffeine, a… read more here.

Keywords: selective deuteration; affinity; caffeine; affinity adenosine ... See more keywords

Site-selective deuteration of N-heterocycles via iridium-catalyzed hydrogen isotope exchange

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0 Published in 2017 at "ACS Catalysis"

DOI: 10.1021/acscatal.7b02682

Abstract: The application of iridium(I) NHC/phosphine catalysts has delivered highly selective deuteration of indole, azaindole, and pyrrole N-heterocycles, which represent an important and relatively underexplored class of labeling substrates. Common N-protecting groups have been used to… read more here.

Keywords: selective deuteration; site selective; iridium; deuteration heterocycles ... See more keywords

Current electrochemical approaches to selective deuteration.

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1 Published in 2022 at "Chemical communications"

DOI: 10.1039/d2cc00344a

Abstract: The selective deuteration of organic molecules through electrochemistry is proving to be an effective alternative to conventional 2H labelling strategies, which traditionally require high temperatures, high pressures of deuterium gas in hydrothermal autoclave reactors, or… read more here.

Keywords: deuteration; selective deuteration; current electrochemical; electrochemistry ... See more keywords

Selective deuteration as a tool for resolving autoxidation mechanisms in α-pinene ozonolysis

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2 Published in 2023 at "Atmospheric Chemistry and Physics"

DOI: 10.5194/acp-23-4373-2023

Abstract: Abstract. Highly oxygenated organic molecules (HOMs) from α-pinene ozonolysis have been shown to be significant contributors to secondary organic aerosol (SOA), yet our mechanistic understanding of how the peroxy-radical-driven autoxidation leads to their formation in… read more here.

Keywords: pinene ozonolysis; selective deuteration; autoxidation; method ... See more keywords