Detalhe da pesquisa
1.
CASE-DFT Structure Elucidation of Proton-Deficient Chlorodepsidones from the Indonesian Lichen Teloschistes flavicans and Structure Revision of Flavicansone.
J Nat Prod
; 2024 May 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-38780134
2.
DFT investigation of coupling constant anomalies in substituted ß-lactams.
Magn Reson Chem
; 2024 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38511664
3.
Enhancing Efficiency of Natural Product Structure Revision: Leveraging CASE and DFT over Total Synthesis.
Molecules
; 28(9)2023 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37175206
4.
Ominoxanthone-The First Xanthone Linearly Fused to a γ-Lactone from Cortinarius ominosus Bidaud Basidiomata. CASE- and DFT-Based Structure Elucidation.
Molecules
; 28(4)2023 Feb 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-36838545
5.
DELTA50: A Highly Accurate Database of Experimental 1H and 13C NMR Chemical Shifts Applied to DFT Benchmarking.
Molecules
; 28(6)2023 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36985422
6.
Driving to a Better Understanding of Acyl Glucuronide Transformations Using NMR and Molecular Modeling.
Chem Res Toxicol
; 35(3): 459-474, 2022 03 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35156375
7.
19 F-detected dual-optimized inverted 1 JCC 1,n-ADEQUATE.
Magn Reson Chem
; 60(2): 210-220, 2022 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34469610
8.
Photoredox-Catalyzed Giese Reactions: Decarboxylative Additions to Cyclic Vinylogous Amides and Esters.
Molecules
; 27(2)2022 Jan 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-35056732
9.
Development of 19 F-detected 1,1-ADEQUATE for the characterization of polyfluorinated and perfluorinated compounds.
Magn Reson Chem
; 59(6): 628-640, 2021 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-33486827
10.
Bioactivation of GPR40 Agonist MK-8666: Formation of Protein Adducts in Vitro from Reactive Acyl Glucuronide and Acyl CoA Thioester.
Chem Res Toxicol
; 33(1): 191-201, 2020 01 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31566356
11.
Molecular packing of pharmaceuticals analyzed with paramagnetic relaxation enhancement and ultrafast magic angle pinning NMR.
Phys Chem Chem Phys
; 22(23): 13160-13170, 2020 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32495810
12.
Enhancing computer-assisted structure elucidation with DFT analysis of J-couplings.
Magn Reson Chem
; 58(6): 594-606, 2020 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31916609
13.
Unexpected Propargylic Retro-Brook Rearrangements in Alkynes.
J Org Chem
; 84(16): 10024-10031, 2019 08 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-31283876
14.
Assessing the Utility of In Vitro Screening Tools for Predicting Bio-Performance of Oral Peptide Delivery.
Pharm Res
; 36(10): 151, 2019 Aug 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-31451949
15.
Chemoselective Peptide Modification via Photocatalytic Tryptophan ß-Position Conjugation.
J Am Chem Soc
; 140(22): 6797-6800, 2018 06 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-29762027
16.
Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg Med Chem Lett
; 28(11): 2029-2034, 2018 06 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-29748051
17.
Towards unbiased and more versatile NMR-based structure elucidation: A powerful combination of CASE algorithms and DFT calculations.
Magn Reson Chem
; 56(6): 493-504, 2018 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-28833470
18.
The synthesis of 2,3,6-trisubstituted 1-oxo-1,2-dihydroisoquinolines as potent CRTh2 antagonists.
Bioorg Med Chem Lett
; 27(23): 5344-5348, 2017 12 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29110986
19.
Concise syntheses and HCV NS5B polymerase inhibition of (2'R)-3 and (2'S)-2'-ethynyluridine-10 and related nucleosides.
Bioorg Med Chem Lett
; 27(23): 5349-5352, 2017 12 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29056248
20.
Atropisomerization of 8-Membered Dibenzolactam: Experimental NMR and Theoretical DFT Study.
J Org Chem
; 81(2): 485-501, 2016 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26636717