Oxidative Control of Photoinduced Cascade Electrocyclizations in Aromatic Azido Imines to Access Complex Fused Imidazoles or Pyrazoles. Reddy, D.S.; Novitskiy, I.M.; Beloglazkina, A.A.; Kutateladze A.G. Org. Lett., 2024, 26, 2558. [DOI: 10.1021/acs.orglett.4c00361]
Systematic Photoassisted Access to Designer Polyheterocycles via Modular Blocks and Scaffolding. Holt. T. A.; Novitskiy, I. M.; Kutateladze, A. G. Org. Lett., 2024, 26, (3), 734-738. [DOI: 10.1021/acs.orglett.3c04186]
Kallopterolides A–I, a New Subclass of seco-Diterpenes Isolated from the Southwestern Caribbean Sea Plume Antillogorgia kallos. Marrero, J.; Amador, L.A.; Novitskiy, I.M.; Kutateladze, A.G.; Rodriguiez, A.D. Molecules, 2024, 29, 2493. [DOI: 10.3390/molecules29112493]
Penicitone: Structural Reassignment of a Proposed Natural Product Acid Chloride. Novitskiy, I.M.; Elyashberg, M.; Bates, R.W.; Kutateladze, A.G.; Williams, C.M. Org. Lett., 2023, 25, 7796-7799. [DOI: 10.1021/acs.orglett.3c02859]
Brief overview of recently reported misassigned natural products and their in silico revisions enabled by DU8ML, a machine learning-augmented DFT computational NMR method. Novitskiy, I.M.; Kutateladze, A.G. Nat. Prod. Rep., 2022, 39, 2003-2007. [DOI: 10.1039/D2NP00051B]
Maximizing Step-Normalized Increases in Molecular Complexity: Formal [4+2+2+2] Photoinduced Cyclization Cascade to Access Polyheterocycles Possessing Privileged Substructures. Reddy, D.S.; Novitskiy, I.M.; Kutateladze, A.G. Angew. Chem. Int. Ed., 2022, 61, (4), e202112573. [DOI: 10.1002/anie.202112573] Angewandte's Hot Paper
Peculiar Reaction Products and Mechanisms Revisited with Machine Learning-Augmented Computational NMR. Novitskiy, I.M.; Kutateladze, A.G. J. Org. Chem., 2022, 87, (13), 8589-8598. [DOI: 10.1021/acs.joc.2c00749] ACS Editors' Choice
DU8ML: Machine Learning-Augmented Density Functional Theory Nuclear Magnetic Resonance Computations for High-Throughput In Silico Solution Structure Validation and Revision of Complex Alkaloids. Novitskiy, I.M.; Kutateladze, A.G. J. Org. Chem., 2022, 87, (7), 4818-4828. [DOI: 10.1021/acs.joc.2c00169]
Reassignment of Improbable Natural Products Identified through Chemical Principle Screening. Elyashberg, M.; Novitskiy, I. M.; Bates, R. W.; Kutateladze, A. G.; Williams, C. M. Eur. J. Org. Chem., 2022, 2022, (34), e202200572. [DOI: 10.1002/ejoc.202200572] (Very Important Paper)
DU8+ Computations Reveal a Common Challenge in the Structure Assignment of Natural Products Containing a Carboxylic Anhydride Moiety. Novitskiy, I.M.; Kutateladze, A.G. J. Org. Chem., 2021, 86, 17511-17515. [DOI: 10.1021/acs.joc.1c02291]
Structure revision of ent-kaurane diterpenoids, isoserrins A, B, and D, enabled by DU8+ computation of their NMR spectral data. Novitskiy, I.M.; Holt, T.A.; Kutateladze, A.G. Mendeleev Comm. , 2021, 31, 300-301. [DOI: 10.1016/j.mencom.2021.05.007]