Detalhe da pesquisa
1.
seco-Pregnane Glycosides from Australian Caustic Vine (Cynanchum viminale subsp. australe).
J Nat Prod
; 86(3): 490-497, 2023 03 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-36795946
2.
Complexity-Building ESIPT-Assisted Synthesis of Fused Polyheterocyclic Sulfonamides.
Molecules
; 28(18)2023 Sep 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37764325
3.
Brief overview of recently reported misassigned natural products and their in silico revisions enabled by DU8ML, a machine learning-augmented DFT computational NMR method.
Nat Prod Rep
; 39(11): 2003-2007, 2022 11 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-36004664
4.
Peculiar Reaction Products and Mechanisms Revisited with Machine Learning-Augmented Computational NMR.
J Org Chem
; 87(13): 8589-8598, 2022 07 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-35723522
5.
DU8ML: Machine Learning-Augmented Density Functional Theory Nuclear Magnetic Resonance Computations for High-Throughput In Silico Solution Structure Validation and Revision of Complex Alkaloids.
J Org Chem
; 87(7): 4818-4828, 2022 04 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-35302771
6.
Maximizing Step-Normalized Increases in Molecular Complexity: Formal [4+2+2+2] Photoinduced Cyclization Cascade to Access Polyheterocycles Possessing Privileged Substructures.
Angew Chem Int Ed Engl
; 61(4): e202112573, 2022 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34850525
7.
DU8+ Computations Reveal a Common Challenge in the Structure Assignment of Natural Products Containing a Carboxylic Anhydride Moiety.
J Org Chem
; 86(23): 17511-17515, 2021 12 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34743508
8.
EBC-232 and 323: A Structural Conundrum Necessitating Unification of Five In Silico Prediction and Elucidation Methods.
Chemistry
; 26(51): 11862-11867, 2020 Sep 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-32864777
9.
The Discreet Structural Diversity of Briarellins: DU8+ Guided Multiple Structure Revisions Yielded Two Unknown Structural Types.
J Org Chem
; 85(9): 6201-6205, 2020 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32323536
10.
Stereochemical revision of xylogranatin F by GIAO and DU8+ NMR calculations.
Chirality
; 32(5): 515-523, 2020 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32125044
11.
Correction: The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research.
Nat Prod Rep
; 36(1): 248-249, 2019 01 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30468235
12.
The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research.
Nat Prod Rep
; 36(1): 35-107, 2019 01 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30003207
13.
Structure Validation of Complex Natural Products: Time to Change the Paradigm. What did Synthesis of Alstofolinine A Prove?
J Org Chem
; 84(12): 8297-8299, 2019 06 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31150231
14.
Natural Products Containing the Oxetane and Related Moieties Present Additional Challenges for Structure Elucidation: A DU8+ Computational Case Study.
J Org Chem
; 84(12): 7575-7586, 2019 06 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31145850
15.
Reassignments and Corroborations of Oxo-Bridged Natural Products Directed by OSE and DU8+ NMR Computation.
Angew Chem Int Ed Engl
; 58(21): 7107-7112, 2019 05 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-31017378
16.
Addressing the Challenges of Structure Elucidation in Natural Products Possessing the Oxirane Moiety.
J Org Chem
; 83(15): 8341-8352, 2018 08 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-29912559
17.
Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.
J Am Chem Soc
; 139(46): 16584-16590, 2017 11 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-29053265
18.
High-Throughput in Silico Structure Validation and Revision of Halogenated Natural Products Is Enabled by Parametric Corrections to DFT-Computed 13C NMR Chemical Shifts and Spin-Spin Coupling Constants.
J Org Chem
; 82(7): 3368-3381, 2017 04 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28339201
19.
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.
J Org Chem
; 82(20): 10795-10802, 2017 10 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-28886245
20.
A novel withanolide with an unprecedented carbon skeleton from Physalis angulata.
Org Biomol Chem
; 15(5): 1110-1114, 2017 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28098317