Kgroup

Oxidative Control of Photoinduced Cascade Electrocyclizations in Aromatic Azido Imines to Access Complex Fused Imidazoles or Pyrazoles. Sai Reddy, D.S.; Novitskiy, I.M.; Beloglazkina, A.A.; Kutateladze A.G. Org. Lett., 2024, 26, 0. [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]

Complexity-Building Photoinduced Cascade Involving C_sp2-C_sp3 Coupling of Aromatic Amides via [2 + 2] Reactivity of ESIPT Generated o-Azaxylylenes. Reddy, D.S.; Novitskiy, I.M.; Kutateladze, A.G. Org. Lett., 2023, 25, 1131-1135. [DOI: 10.1021/acs.orglett.3c00092]

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. Angewandte 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]

	Ivan Novitskiy (PD) Oxidative Control of Photoinduced Cascade Electrocyclizations in Aromatic Azido Imines to Access Complex Fused Imidazoles or Pyrazoles. Sai Reddy, D.S.; Novitskiy, I.M.; Beloglazkina, A.A.; Kutateladze A.G. Org. Lett., 2024, 26, 0. [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] Complexity-Building Photoinduced Cascade Involving C_sp2-C_sp3 Coupling of Aromatic Amides via [2 + 2] Reactivity of ESIPT Generated o-Azaxylylenes. Reddy, D.S.; Novitskiy, I.M.; Kutateladze, A.G. Org. Lett., 2023, 25, 1131-1135. [DOI: 10.1021/acs.orglett.3c00092] 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. Angewandte 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]
	Malla Reddy Gannarapu (PD)
	Enoch Asimbisa (PhD student)
	Srinivas Beduru (PD) Complexity-Building ESIPT-Assisted Synthesis of Fused Polyheterocyclic Sulfonamides. Beduru, S.; Kutateladze, A. G. Molecules, 2023, 28, 6549. [DOI: 10.3390/molecules28186549]