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In silico screening of P , N -ligands facilitates optimization of Au( iii )-mediated S -arylation

https://doi.org/10.1039/D4SC05920D

Treacy, Joseph W; Tilden, James_A R; Chao, Elaine Y; Fu, Zihuan; Spokoyny, Alexander M; Houk, K N; Maynard, Heather D (February 2025, Chemical Science)

In silicoexamination of 13P,N-ligated Au(iii) OACs determined the key mechanistic factors governing Au(iii)-mediatedS-arylation. Three complexes were synthesized which exhibited bimolecular coordination rate constants as high as 20 200 M⁻¹s⁻¹.
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Electronic Effects of Bidentate P , N -Ligands on the Elementary Steps of Au(I)/Au(III) Reactions Relevant to Cross-Coupling Chemistry

https://doi.org/10.1021/acs.orglett.4c04045

Treacy, Joseph W; Chao, Elaine Y; Kunkel, Grace E; Louis-Goff, Thomas; Tilden, James_A R; Spokoyny, Alexander M; Maynard, Heather D; Houk, K N (December 2024, Organic Letters)

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Controlling rates and reversibilities of elimination reactions of hydroxybenzylammoniums by tuning dearomatization energies

https://doi.org/10.1039/D4SC02985B

Fu, Zihuan; Treacy, Joseph W; Hosier, Brock M; Houk, K N; Maynard, Heather D (July 2024, Chemical Science)

The factors that govern hydroxybenzylammonium-mediated amine releasing reactions have been computationally examined. This mechanistic insight led to subsequent experimental validation and generation of release half-lives as fast as 18 minutes.
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Heterotelechelic Organometallic PEG Reagents Enable Modular Access to Complex Bioconjugates

https://doi.org/10.1021/acsmacrolett.4c00588

Kunkel, Grace E; Treacy, Joseph W; Polite, Magdalena F; Montgomery, Hayden R; Doud, Evan A; Houk, Kendall N; Spokoyny, Alexander M; Maynard, Heather D (November 2024, ACS Macro Letters)

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Comparison of Cyclic and Linear PEG Conjugates

https://doi.org/10.1021/acs.bioconjchem.4c00202

Kunkel, Grace E; Zhou, Qingyang; Treacy, Joseph W; Montgomery, Hayden R; Salas-Ambrosio, Pedro; Ready, Austin D; Spokoyny, Alexander M; Houk, Kendall N; Maynard, Heather D (June 2024, Bioconjugate Chemistry)

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Efficient end-group functionalization and diblock copolymer synthesis via Au( iii ) polymer reagents

https://doi.org/10.1039/D3CC05350D

Kunkel, Grace E; Treacy, Joseph W; Montgomery, Hayden R; Puente, Ellie G; Doud, Evan A; Spokoyny, Alexander M; Maynard, Heather D (December 2023, Chemical Communications)

Au(iii) polymer reagents provide facile access to semi-telechelic and diblock copolymers.
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Ultrafast Au(III)-Mediated Arylation of Cysteine

https://doi.org/10.1021/jacs.3c12170

Doud, Evan A; Tilden, James_A R; Treacy, Joseph W; Chao, Elaine Y; Montgomery, Hayden R; Kunkel, Grace E; Olivares, Eileen J; Adhami, Nima; Kerr, Tyler A; Chen, Yu; et al (May 2024, Journal of the American Chemical Society)

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Self-Immolative Hydroxybenzylamine Linkers for Traceless Protein Modification

https://doi.org/10.1021/jacs.2c01136

Rose, Douglas A.; Treacy, Joseph W.; Yang, Zhongyue J.; Ko, Jeong Hoon; Houk, K. N.; Maynard, Heather D. (April 2022, Journal of the American Chemical Society)

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