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2024 Journal Article Diastereo‐ and enantioselective construction of stereochemical arrays exploiting non‐classical hydrogen bonding in enolboratesLi, Matthew Tin-lok, Scheeff, Stephan, Chen, Jiahua, Johnston, Ryne C., Rizzo, Antonio, Krenske, Elizabeth H. and Chiu, Pauline (2024). Diastereo‐ and enantioselective construction of stereochemical arrays exploiting non‐classical hydrogen bonding in enolborates. Chemistry – A European Journal, 30 (46) e202401485, 1-8. doi: 10.1002/chem.202401485 |
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2024 Journal Article Data-efficient, chemistry-aware machine learning predictions of Diels-Alder reaction outcomesKeto, Angus, Guo, Taicheng, Underdue, Morgan, Stuyver, Thijs, Coley, Connor W, Zhang, Xiangliang, Krenske, Elizabeth H. and Wiest, Olaf (2024). Data-efficient, chemistry-aware machine learning predictions of Diels-Alder reaction outcomes. Journal of the American Chemical Society, 146 (23), 16052-16061. doi: 10.1021/jacs.4c03131 |
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2023 Journal Article Mechanistic aspects of thiol additions to Michael acceptors: insights from computationsRoseli, Ras Baizureen, Keto, Angus B. and Krenske, Elizabeth H. (2023). Mechanistic aspects of thiol additions to Michael acceptors: insights from computations. WIREs Computational Molecular Science, 13 (2) e1636, 1-16. doi: 10.1002/wcms.1636 |
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2022 Journal Article Chemoselective and diastereoselective intramolecular (3+2) cycloadditions of epoxy and aziridinyl enolsilanesChen, Yueyao, Ling, Jesse, Keto, Angus B., He, Yun, Low, Kam‐Hung, Krenske, Elizabeth H. and Chiu, Pauline (2022). Chemoselective and diastereoselective intramolecular (3+2) cycloadditions of epoxy and aziridinyl enolsilanes. Angewandte Chemie International Edition, 61 (21) e202116099, 1-7. doi: 10.1002/anie.202116099 |
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2026 Journal Article Elucidation of the conformational rate processes of the macrocyclic lactone (–)‐nonenolide through variable temperature NMR, quantum mechanics, and molecular dynamicsLimbu, Ingso, Hunt, Liam R., Furkert, Daniel P., Brimble, Margaret A., Garson, Mary J. and Krenske, Elizabeth H. (2026). Elucidation of the conformational rate processes of the macrocyclic lactone (–)‐nonenolide through variable temperature NMR, quantum mechanics, and molecular dynamics. European Journal of Organic Chemistry e70416, 1-10. doi: 10.1002/ejoc.70416 |
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2026 Journal Article Inter‐and Intramolecular (4+3) Cycloadditions With Epoxy Allylsilanes as DienophilesTeo, Qin Han, Zhou, Yuchen, Krenske, Elizabeth H. and Chiu, Pauline (2026). Inter‐and Intramolecular (4+3) Cycloadditions With Epoxy Allylsilanes as Dienophiles. Chemistry – An Asian Journal, 21 (7) e70708. doi: 10.1002/asia.70708 |
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2026 Journal Article Designing the fastest Diels–Alder reaction: a collaborative miniature research project for undergraduate computational chemistryWelch, Bradley G., Limbu, Ingso, Gahan, Lawrence R., McGeary, Ross P. and Krenske, Elizabeth H. (2026). Designing the fastest Diels–Alder reaction: a collaborative miniature research project for undergraduate computational chemistry. Journal of Chemical Education, 103 (1), 671-677. doi: 10.1021/acs.jchemed.5c00799 |
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2025 Journal Article Mechanism of the Stoltz-Grubbs (KOtBu/Et3SiH) silylation: single-electron transfer is the missing link between the heterolytic and radical pathwaysJenkins, Ian D., Chow, Ka Ho and Krenske, Elizabeth H. (2025). Mechanism of the Stoltz-Grubbs (KOtBu/Et3SiH) silylation: single-electron transfer is the missing link between the heterolytic and radical pathways. Angewandte Chemie (International Edition), 64 (49) e202517336, 1-9. doi: 10.1002/anie.202517336 |
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2025 Journal Article Computer-assisted design of an ON/OFF switch for ESIPT via substituent positioning for tunable low-threshold light amplificationRoseli, Ras Baizureen, Allison, Ilene, Shukla, Atul, Gale, Innes, Whittaker, Mia, Wallwork, Nicholle R., Krenske, Elizabeth H., Namdas, Ebinazar B. and Lo, Shih-Chun (2025). Computer-assisted design of an ON/OFF switch for ESIPT via substituent positioning for tunable low-threshold light amplification. ACS Applied Electronic Materials, 8 (1) acsaelm.5c01810, 155-165. doi: 10.1021/acsaelm.5c01810 |
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2025 Journal Article Mechanism of the Stoltz–Grubbs (KO <i> <sup>t</sup> </i> Bu/Et <sub>3</sub> SiH) Silylation: Single‐Electron Transfer is the Missing Link between the Heterolytic and Radical PathwaysJenkins, Ian D., Chow, Ka Ho and Krenske, Elizabeth H. (2025). Mechanism of the Stoltz–Grubbs (KO t Bu/Et 3 SiH) Silylation: Single‐Electron Transfer is the Missing Link between the Heterolytic and Radical Pathways. Angewandte Chemie, 137 (49) e202517336. doi: 10.1002/ange.202517336 |
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2025 Journal Article Exo‐selective intramolecular (4+3) cycloadditions to trans‐fused perhydroazulenes: an asymmetric formal synthesis of (−)‐pseudolaric acid BYin, Zengsheng, He, Yuxuan, Wei, Guo, Zhou, Yuchen, Rizzo, Antonio, He, Yun, Krenske, Elizabeth H. and Chiu, Pauline (2025). Exo‐selective intramolecular (4+3) cycloadditions to trans‐fused perhydroazulenes: an asymmetric formal synthesis of (−)‐pseudolaric acid B. Angewandte Chemie, 64 (38) e202509650. doi: 10.1002/ange.202509650 |
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2025 Journal Article Deconvoluting the effects of substituents on reaction barriers through machine learning: the case of Brønsted acid-mediated Nazarov cyclizationsKeto, Angus and Krenske, Elizabeth H. (2025). Deconvoluting the effects of substituents on reaction barriers through machine learning: the case of Brønsted acid-mediated Nazarov cyclizations. The Journal of Organic Chemistry, 90 (29), 10442-10453. doi: 10.1021/acs.joc.5c01229 |
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2025 Journal Article Improving reaction prediction through chemically aware transfer learningKeto, Angus, Guo, Taicheng, Gönnheimer, Nils, Zhang, Xiangliang, Krenske, Elizabeth H. and Wiest, Olaf (2025). Improving reaction prediction through chemically aware transfer learning. Digital Discovery, 4 (5), 1232-1238. doi: 10.1039/d4dd00412d |
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2025 Journal Article An asynchronous, concerted mechanism for cytochrome P450-catalyzed dehydrogenation: a combined deuterium labeling and QM/MM studyKirk, Alicia M., Stok, Jeanette E., Wong, Siew Hoon, Coleman, Tom, Challinor, Victoria L., Herring, Joel N., Bruning, John B., Bernhardt, Paul V., Bell, Stephen G., Krenske, Elizabeth H. and De Voss, James J. (2025). An asynchronous, concerted mechanism for cytochrome P450-catalyzed dehydrogenation: a combined deuterium labeling and QM/MM study. ACS Catalysis, 15 (2), 1274-1286. doi: 10.1021/acscatal.4c06278 |
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2024 Journal Article Steric activation in the Nazarov cyclization of fully substituted divinyl ketonesFlynn, Bernard Luke, Chen, Shuqi, Keto, Angus B., El-Hawli, Ahmad, Gahan, Lawrence R., White, Jonathan M. and Krenske, Elizabeth H. (2024). Steric activation in the Nazarov cyclization of fully substituted divinyl ketones. Chemistry: A European Journal, 30 (72) e202402779, e202402779. doi: 10.1002/chem.202402779 |
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2024 Journal Article Hyperstable alkenes: are they remarkably unreactive?Summersgill, Matthew D., Gahan, Lawrence R., Chow, Sharon, Pierens, Gregory K., Bernhardt, Paul V., Krenske, Elizabeth H. and Williams, Craig M. (2024). Hyperstable alkenes: are they remarkably unreactive?. Chemical Science, 15 (46), 19299-19306. doi: 10.1039/d4sc06697a |
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2024 Journal Article Synthetic access to l-guluronic acid via fluorine-directed C-5 epimerizationSee, Nicholas W., Wimmer, Norbert, Zhang, Guoqing, Krenske, Elizabeth H. and Ferro, Vito (2024). Synthetic access to l-guluronic acid via fluorine-directed C-5 epimerization. The Journal of Organic Chemistry, 89 (24), 17941-17949. doi: 10.1021/acs.joc.4c01257 |
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2024 Journal Article Structure‐based clustering and mutagenesis of bacterial tannases reveals the importance and diversity of active site‐capping domainsColeman, Tom, Viknander, Sandra, Kirk, Alicia M., Sandberg, David, Caron, Elise, Zelezniak, Aleksej, Krenske, Elizabeth and Larsbrink, Johan (2024). Structure‐based clustering and mutagenesis of bacterial tannases reveals the importance and diversity of active site‐capping domains. Protein Science, 33 (12) e5202, e5202. doi: 10.1002/pro.5202 |
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2024 Journal Article Loss of fluorine during crosslinking by the biarylitide P450Blt proceeds due to restricted peptide orientationZhao, Yongwei, Gullick, Jemma, Hansen, Mathias H., Coe, Laura, Treisman, Maxine, Schittenhelm, Ralf B., McKay, Alasdair, Murray, Lauren A. M., Tailhades, Julien, De Voss, James J., Krenske, Elizabeth H. and Cryle, Max J. (2024). Loss of fluorine during crosslinking by the biarylitide P450Blt proceeds due to restricted peptide orientation. Chemical Communications, 60 (94), 13951-13954. doi: 10.1039/d4cc04092a |
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2024 Journal Article A New Organic Laser Material Design Toward Ultra‐Low Amplified Spontaneous Red Emission and Ultra‐Bright ElectroluminescenceWallwork, Nicholle R., Shukla, Atul, Roseli, Ras Baizureen, Allison, Ilene, McGregor, Sarah K. M., Coles, Max, Gale, Innes, Rahane, Vijay P., Entoma, Volter, Moore, Evan G., Krenske, Elizabeth H., Namdas, Ebinazar B. and Lo, Shih‐Chun (2024). A New Organic Laser Material Design Toward Ultra‐Low Amplified Spontaneous Red Emission and Ultra‐Bright Electroluminescence. Small, 20 (52) 2406817, e2406817. doi: 10.1002/smll.202406817 |
