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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

Journal of organic chemistry, 2017-10, Vol.82 (20), p.10795-10802

2017

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

Journal of organic chemistry, 2019-06, Vol.84 (12), p.8297-8299

2019

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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

Journal of organic chemistry, 2022-04, Vol.87 (7), p.4818-4828

2022

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Complexity-Building ESIPT-Assisted Synthesis of Fused Polyheterocyclic Sulfonamides

Molecules (Basel, Switzerland), 2023-09, Vol.28 (18), p.6549

2023

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

Angewandte Chemie International Edition, 2019-05, Vol.58 (21), p.7107-7112

International ed. in English, 2019

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

Angewandte Chemie International Edition, 2024-09, p.e202415176

2024

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

Journal of the American Chemical Society, 2016-02, Vol.138 (7), p.2110-2113

2016

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

Journal of organic chemistry, 2022-07, Vol.87 (13), p.8589-8598

2022

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

Journal of organic chemistry, 2016-09, Vol.81 (18), p.8659-8661

Kutateladze, Andrei G

2016

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

Journal of organic chemistry, 2019-06, Vol.84 (12), p.7575-7586

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

Natural product reports, 2022-11, Vol.39 (11), p.2003-2007

2022

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Structure Revision of an Acorane Sesquiterpene Cordycepol A

Organic letters, 2016-10, Vol.18 (19), p.4860-4863

2016

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

Journal of the American Chemical Society, 2017-11, Vol.139 (46), p.16584-16590

2017

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Structural insights into the π-π-π stacking mechanism and DNA-binding activity of the YEATS domain

Nature communications, 2018-11, Vol.9 (1), p.4574-11, Article 4574

2018

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

Journal of organic chemistry, 2021-12, Vol.86 (23), p.17511-17515

2021

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Systematic Photoassisted Access to Designer Polyheterocycles via Modular Blocks and Scaffolding

Organic letters, 2024-01, Vol.26 (3), p.734-738

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

Journal of organic chemistry, 2015-05, Vol.80 (10), p.5218-5225

2015

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

Journal of organic chemistry, 2015-11, Vol.80 (21), p.10838-10848

2015

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Structural Reassignment of Two Polyenol Natural Products

European journal of organic chemistry, 2023-03, Vol.26 (9), p.n/a

2023

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

Organic letters, 2023-02, Vol.25 (7), p.1131-1135

2023

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

Journal of organic chemistry, 2018-08, Vol.83 (15), p.8341-8352

2018

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

Organic letters, 2019-04, Vol.21 (8), p.2855-2858

2019

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Relativistic force field: parametric computations of proton-proton coupling constants in (1)H NMR spectra

Journal of organic chemistry, 2014-09, Vol.79 (17), p.8397-8406

2014

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Reassignment of the Structure of Janthinolide A

European journal of organic chemistry, 2023-11, Vol.26 (44), p.n/a

2023

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Complexity-Building Photoinduced Cascade Involving C sp 2 -C sp 3 Coupling of Aromatic Amides via [2 + 2] Reactivity of ESIPT-Generated o- Azaxylylenes

Organic letters, 2023-02, Vol.25 (7), p.1131-1135

2023

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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

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

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

Complexity-Building ESIPT-Assisted Synthesis of Fused Polyheterocyclic Sulfonamides

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

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

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

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

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

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

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

Structure Revision of an Acorane Sesquiterpene Cordycepol A

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

Structural insights into the π-π-π stacking mechanism and DNA-binding activity of the YEATS domain

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

Systematic Photoassisted Access to Designer Polyheterocycles via Modular Blocks and Scaffolding

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

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

Structural Reassignment of Two Polyenol Natural Products

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

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

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

Relativistic force field: parametric computations of proton-proton coupling constants in (1)H NMR spectra

Reassignment of the Structure of Janthinolide A

Complexity-Building Photoinduced Cascade Involving C sp 2 -C sp 3 Coupling of Aromatic Amides via [2 + 2] Reactivity of ESIPT-Generated o- Azaxylylenes

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