Search Results - "Kutateladze, Andrei" :: K.UTB vyhledávací portál

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DU8ML: Machine Learning-Augmented Density Functional Theory Nuclear Magnetic Resonance Computations for High-Throughput In Silico Solution Structure Validation and Revision of Complex Alkaloids

by Novitskiy, Ivan M, Kutateladze, Andrei G
Published in Journal of organic chemistry (01.04.2022)

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Triquinanes and Related Sesquiterpenes Revisited Computationally: Structure Corrections of Hirsutanols B and D, Hirsutenol E, Cucumin B, Antrodins C–E, Chondroterpenes A and H, Chondrosterins C and E, Dichrocephone A, and Pethybrene

by Kutateladze, Andrei G, Kuznetsov, Dmitry M
Published in Journal of organic chemistry (20.10.2017)

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Structure Validation of Complex Natural Products: Time to Change the Paradigm. What did Synthesis of Alstofolinine A Prove?

by Kutateladze, Andrei G, Holt, Tina
Published in Journal of organic chemistry (21.06.2019)

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Complexity-Building ESIPT-Assisted Synthesis of Fused Polyheterocyclic Sulfonamides

by Beduru, Srinivas, Kutateladze, Andrei G
Published in Molecules (Basel, Switzerland) (01.09.2023)

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Reassignments and Corroborations of Oxo‐Bridged Natural Products Directed by OSE and DU8+ NMR Computation

by Kutateladze, Andrei G., Krenske, Elizabeth H., Williams, Craig M.
Published in Angewandte Chemie International Edition (20.05.2019)

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Complexity-Building Exhaustive Dearomatization of Benzenoid Aromatics within an ESIPT-Initiated Three-Step Photochemical Cascade

by Beduru, Srinivas, Huple, Deepak B, Kutateladze, Andrei G
Published in Angewandte Chemie International Edition (12.09.2024)

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Peculiar Reaction Products and Mechanisms Revisited with Machine Learning-Augmented Computational NMR

by Novitskiy, Ivan M., Kutateladze, Andrei G.
Published in Journal of organic chemistry (01.07.2022)

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Structure Revision of Decurrensides A–E Enabled by the RFF Parametric Calculations of Proton Spin–Spin Coupling Constants

by Kutateladze, Andrei G
Published in Journal of organic chemistry (16.09.2016)

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Natural Products Containing the Oxetane and Related Moieties Present Additional Challenges for Structure Elucidation: A DU8+ Computational Case Study

by Kutateladze, Andrei G, Holt, Tina, Reddy, D. Sai
Published in Journal of organic chemistry (21.06.2019)

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Brief overview of recently reported misassigned natural products and their in silico revisions enabled by DU8ML, a machine learning-augmented DFT computational NMR method

by Novitskiy, Ivan M., Kutateladze, Andrei G.
Published in Natural product reports (16.11.2022)

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Oxazolines as Dual-Function Traceless Chromophores and Chiral Auxiliaries: Enantioselective Photoassisted Synthesis of Polyheterocyclic Ketones

by Mukhina, Olga A, Kutateladze, Andrei G
Published in Journal of the American Chemical Society (24.02.2016)

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Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures

by Kuznetsov, Dmitry M, Kutateladze, Andrei G
Published in Journal of the American Chemical Society (22.11.2017)

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DU8+ Computations Reveal a Common Challenge in the Structure Assignment of Natural Products Containing a Carboxylic Anhydride Moiety

by Novitskiy, Ivan M, Kutateladze, Andrei G
Published in Journal of organic chemistry (03.12.2021)

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Structure Revision of an Acorane Sesquiterpene Cordycepol A

by Reddy, D. Sai, Kutateladze, Andrei G
Published in Organic letters (07.10.2016)

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Systematic Photoassisted Access to Designer Polyheterocycles via Modular Blocks and Scaffolding

by Holt, Tina A., Novitskiy, Ivan M., Kutateladze, Andrei G.
Published in Organic letters (26.01.2024)

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Minimalist Relativistic Force Field: Prediction of Proton-Proton Coupling Constants in (1)H NMR Spectra Is Perfected with NBO Hybridization Parameters

by Kutateladze, Andrei G, Mukhina, Olga A
Published in Journal of organic chemistry (15.05.2015)

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Relativistic Force Field: Parametrization of (13)C-(1)H Nuclear Spin-Spin Coupling Constants

by Kutateladze, Andrei G, Mukhina, Olga A
Published in Journal of organic chemistry (06.11.2015)

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Complexity-Building Photoinduced Cascade Involving Csp2 –Csp3 Coupling of Aromatic Amides via [2 + 2] Reactivity of ESIPT-Generated o-Azaxylylenes

by Reddy, D. Sai, Novitskiy, Ivan M., Kutateladze, Andrei G.
Published in Organic letters (24.02.2023)

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Photoinitiated Cascade for Rapid Access to Pyrroloquinazolinone Core of Vasicinone, Luotonins, and Related Alkaloids

by Reddy, D. Sai, Kutateladze, Andrei G.
Published in Organic letters (19.04.2019)

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Addressing the Challenges of Structure Elucidation in Natural Products Possessing the Oxirane Moiety

by Kutateladze, Andrei G, Kuznetsov, Dmitry M, Beloglazkina, Anastasiya A, Holt, Tina
Published in Journal of organic chemistry (03.08.2018)

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