Joao B L Martins
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Explore the profile of Joao B L Martins including associated specialties, affiliations and a list of published articles.
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44
Citations
154
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Recent Articles
1.
de Sousa G, Martins J, Dos Santos Politi J
J Comput Chem
. 2025 Jan;
46(2):e70018.
PMID: 39797545
This study aims to shed light on the mechanism and kinetics of 1,4-dioxane degradation by hydroxyl radical (OH) across various solvation conditions to evaluate electronic and structural properties at the...
2.
Benicio L, Nascimento E, Martins J
J Mol Model
. 2024 Dec;
31(1):19.
PMID: 39666205
Context: Heparan sulfate (HS) linear polysaccharide glycosaminoglycan compound is linked to components from the cell surface and the extracellular matrix. HS mediates SARS-CoV-2 infection through spike protein binding to cell...
3.
Brito A, Aquino A, Dos Santos Politi J, Martins J
J Comput Chem
. 2024 Dec;
46(1):e27540.
PMID: 39636249
Ethanethiol, also known as ethyl mercaptan, is an organosulfur compound that appears as a colorless liquid with a distinctive odor. It has been detected in the interstellar medium, and its...
4.
Mizuno A, Machado E, Martins J, Dos Santos Politi J, Rodrigues N
ACS Omega
. 2024 Sep;
9(37):38686-38695.
PMID: 39310208
Porous materials such as isoreticular metal-organic frameworks (IRMOFs) can be applied in several areas that explore the physical adsorption. An area that has gained prominence is fuel gas storage, as...
5.
Rocha K, Nascimento E, de Jesus R, Martins J
Molecules
. 2024 Sep;
29(17).
PMID: 39275102
Four afatinib derivatives were designed and modeled. These derivatives were compared to the known tyrosine-kinase inhibitors in treating Chronic Myeloid Leukemia, i.e., imatinib and ponatinib. The molecules were evaluated through...
6.
Gatto C, Cavalcante C, Lima F, Nascimento E, Martins J, Santana B, et al.
Molecules
. 2024 Jun;
29(12).
PMID: 38930825
The current article reports the investigation of three new Ni(II) complexes with -donor dithiocarbazate ligands: [Ni(L)PPh] (), [Ni(L)PPh] (), and [Ni(L)Py] (). Single-crystal X-ray analyses revealed mononuclear complexes with a...
7.
Gatto C, Dias L, Paiva C, da Silva I, Freire D, Tormena R, et al.
Front Chem
. 2024 Feb;
12:1347370.
PMID: 38361747
The present work reports the influence of the presence of different ions (Cl, Br, NO , or SO ) on the formation and proprieties of Cu(II) complexes with pyridoxal-benzoylhydrazone (PLBHZ)....
8.
Gordijo J, Rodrigues N, Martins J
ACS Omega
. 2023 Dec;
8(49):46830-46840.
PMID: 38107956
The amount of polluting gases released into the atmosphere has grown drastically. Among them, it is possible to cite the release of CO and CO gases on a large scale...
9.
Martins J, Cabral B
J Chem Phys
. 2023 Dec;
159(23).
PMID: 38099545
The electronic properties of SO2 at the surface of a water cluster were investigated by employing a combination of Born-Oppenheimer molecular dynamics and electron propagator theory (EPT). In our work,...
10.
Farias S, Rocha K, Nascimento E, de Jesus R, Neres P, Martins J
Int J Mol Sci
. 2023 Oct;
24(20).
PMID: 37894797
Understanding the role of 3CLpro protease for SARS-CoV-2 replication and knowing the potential of flavonoid molecules like rutin, myricetin, and baicalein against 3CLpro justify an investigation into their inhibition. This...