Carneiro JWM - Search Results

1

Density functional theory investigation of the contributions of π-π stacking and hydrogen bonding with water to the supramolecular aggregation interactions of model asphaltene heterocyclic compounds.

Lessa MD, Stoyanov SR, de Carneiro JWM, da Costa LM. Lessa MD, et al. Among authors: de carneiro jwm. J Mol Model. 2024 Apr 24;30(5):145. doi: 10.1007/s00894-024-05922-3. J Mol Model. 2024. PMID: 38656715 Free PMC article.

2

Structural and thermodynamic insights into the coordination preference of norbornadiene with the initiator complex [RuCl₂(PPh₃)₂(piperidine)] in polymerization via olefin metathesis.

Sousa JA, Sá JLDS, Carneiro JWM, Matos JME. Sousa JA, et al. Among authors: carneiro jwm. Phys Chem Chem Phys. 2024 May 1;26(17):13164-13171. doi: 10.1039/d3cp03349j. Phys Chem Chem Phys. 2024. PMID: 38630007

3

Exploring borderline S_N1-S_N2 mechanisms: the role of explicit solvation protocols in the DFT investigation of isopropyl chloride.

de Andrade KN, Peixoto BP, Carneiro JWM, Fiorot RG. de Andrade KN, et al. Among authors: carneiro jwm. RSC Adv. 2024 Feb 5;14(7):4692-4701. doi: 10.1039/d4ra00066h. eCollection 2024 Jan 31. RSC Adv. 2024. PMID: 38318615 Free PMC article.

4

2,5-Diketopiperazines via Intramolecular N-Alkylation of Ugi Adducts: A Contribution to the Synthesis, Density Functional Theory Study, X-ray Characterization, and Potential Herbicide Application.

Mendes LL, Varejão JOS, de Souza JA, Carneiro JWM, Valdo AKSM, Martins FT, Ferreira BW, Barreto RW, da Silva TI, Kohlhoff M, Pilau EJ, V Varejão EV. Mendes LL, et al. Among authors: carneiro jwm. J Agric Food Chem. 2022 Feb 16;70(6):1799-1809. doi: 10.1021/acs.jafc.1c07790. Epub 2022 Feb 7. J Agric Food Chem. 2022. PMID: 35130436

5

Revisiting the structure of Heliannuol L: A computational approach.

Martorano LH, Brito JT, de Albuquerque ACF, Ribeiro CMR, Fiorot RG, Carneiro JWM, Costa FLP, Valverde AL, Dos Santos Junior FM. Martorano LH, et al. Among authors: carneiro jwm. Magn Reson Chem. 2022 Apr;60(4):434-441. doi: 10.1002/mrc.5230. Epub 2021 Nov 13. Magn Reson Chem. 2022. PMID: 34741339

6

Synthetic enamine naphthoquinone derived from lawsone as cytotoxic agents assessed by in vitro and in silico evaluations.

Lemos BC, Westphal R, Filho EV, Fiorot RG, Carneiro JWM, Gomes ACC, Guimarães CJ, de Oliveira FCE, Costa PMS, Pessoa C, Greco SJ. Lemos BC, et al. Among authors: carneiro jwm. Bioorg Med Chem Lett. 2021 Dec 1;53:128419. doi: 10.1016/j.bmcl.2021.128419. Epub 2021 Oct 26. Bioorg Med Chem Lett. 2021. PMID: 34715305

7

Bioactivity and molecular properties of Phenoxyacetic Acids Derived from Eugenol and Guaiacol compared to the herbicide 2,4-D.

Alves TA, Pinheiro PF, Praça-Fontes MM, Andrade-Vieira LF, Lourenço MP, Lage MR, Alves TA, Cruz FA, Carneiro JWM, Ferreira A, Soares TCB. Alves TA, et al. Among authors: carneiro jwm. An Acad Bras Cienc. 2021 Oct 22;93(4):e20191368. doi: 10.1590/0001-3765202120191368. eCollection 2021. An Acad Bras Cienc. 2021. PMID: 34705933 Free article.

8

2H-1,2,3-Triazole-chalcones as novel cytotoxic agents against prostate cancer.

Pinheiro S, Pessôa JC, Pinheiro EMC, Muri EMF, Filho EV, Loureiro LB, Freitas MCR, Silva Junior CMD, Fiorot RG, Carneiro JWM, Rotamiro KM, Guimarães ARA, Rocha-Brito KJP, Greco SJ. Pinheiro S, et al. Among authors: carneiro jwm. Bioorg Med Chem Lett. 2020 Oct 1;30(19):127454. doi: 10.1016/j.bmcl.2020.127454. Epub 2020 Jul 28. Bioorg Med Chem Lett. 2020. PMID: 32736078

9

Hetero-Diels-Alder Reactions of Quinone Methides: The Origin of the α-Regioselectivity of 3-Methylene-1,2,4-naphthotriones.

Delarmelina M, Ferreira SB, da Silva FC, Ferreira VF, Carneiro JWM. Delarmelina M, et al. Among authors: carneiro jwm. J Org Chem. 2020 Jun 5;85(11):7001-7013. doi: 10.1021/acs.joc.0c00215. Epub 2020 May 19. J Org Chem. 2020. PMID: 32369362

10

Diradical-singlet character of 1,3-dipoles affects reactivity of 1,3-dipolar cycloaddition reactions and intramolecular cyclization.

Fiorot RG, Vilhena FS, Carneiro JWM. Fiorot RG, et al. Among authors: carneiro jwm. J Mol Model. 2019 Sep 7;25(10):306. doi: 10.1007/s00894-019-4162-9. J Mol Model. 2019. PMID: 31494732

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