417 results on '"de Lima-Neto, Pedro"'
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2. Insights of potential trypanocidal effect of the synthetic derivative (2E)-1-(4-aminophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one: in vitro assay, MEV analysis, quantum study, molecular docking, molecular dynamics, MPO analysis, and predictive ADMET
3. Anacardic Acid Mixture: Utilization of a Byproduct for the Sustainable Development of a Potential Antichagasic Agent Against Trypanosoma cruzi
4. Structural, spectroscopical, electronic, non-linear optical characterization and antioxidant activity of 2-hidroxychalcones para-derivatives: An experimental and theoretical approach
5. On the role of water in antimony electrodeposition from choline chloride/ethylene glycol/water mixture
6. De novo design of bioactive phenol and chromone derivatives for inhibitors of Spike glycoprotein of SARS-CoV-2 in silico
7. Analysis of temperature effect in the CO2 absorption using a deep eutectic solvent: An in silico approach
8. Modelling approach applied to SnIn coatings from choline chloride/ethylene glycol deep eutectic solvent
9. Sulfonamide derived from anacardic acid as potential antichagasic: a theoretical approach based on molecular docking, molecular dynamics, and density functional theory calculations
10. A mechanistic insight for the biosynthesis of N,N-dimethyltryptamine: An ONIOM theoretical approach
11. ZnxCo(1−x) coatings from choline chloride-ethylene glycol deep eutectic solvent as electrocatalysts for hydrogen evolution reaction
12. Analysis of Fe2+ and Mn2+ ions in DES and water: A theoretical study using molecular dynamic simulations, QTAIM and NCI-RDG
13. Evaluation of corrosion resistance of Znx-Mn1-x coatings electrodeposited on 1020 carbon steel rotating electrode from choline chloride and urea at eutectic composition
14. Ag+ ion in choline chloride and glycerol mixture: Evaluation of electrochemical properties and molecular modelling approaches
15. Galvanic replacement managing direct methanol fuel cells: AgPt nanotubes as a strategy for methanol crossover effect tolerance
16. Functionalized Fe3O4 nanoparticles for electrochemical sensing of carbendazim
17. Dimethyl fumarate molecule, crystal, and plane: Optical absorption measurement and structural/optoelectronic properties by density functional theory calculations
18. Nanoscale Metal/Metal Multilayers Electrodeposited from Ethaline
19. Analysis of the behavior of Sn2+ and In3+ ions in DES and in water: A theoretical approach
20. Electrochemical and theoretical investigation on the behavior of the Co2+ ion in three eutectic solvents
21. Synthesis, structural and spectroscopic analysis, and antiproliferative activity of chalcone derivate (E)-1-(4-aminophenyl)-3-(benzo[b]thiophen-2-yl)prop‑2-en-1-one in Trypanosoma cruzi
22. Structural and spectroscopic analysis, ADMET study, and anxiolytic-like effect in adult zebrafish (Danio rerio) of 4′-[(1E,2E)-1-(2-(2′,4′-dinitrophenyl)hydrazone-3-(4-methoxyphenyl)allyl)aniline
23. Computational approach in lignin structural models: Influence of non-covalent intramolecular interactions on βO4 bond properties
24. FexNi(1-x) coatings electrodeposited from choline chloride-urea mixture: Magnetic and electrocatalytic properties for water electrolysis
25. Removal and sensing of emerging pollutants released from (micro)plastic degradation: Strategies based on boron-doped diamond electrodes
26. Antioxidant activity of eugenol and its acetyl and nitroderivatives: the role of quinone intermediates—a DFT approach of DPPH test
27. Contributors
28. Advantages and limitations of functionalized graphene-based electrochemical sensors for environmental monitoring
29. In silico and Experimental Assessments Applied to Preliminary Identification of New Illicit Substances Structures
30. Behavior of Tin and Indium in the Des Ethaline: Theoretical and Experimental Insights
31. A Comprehensive Investigation on Electrodeposition of Co-W-P Amorphous Alloys
32. Physical-chemical characterization, controlled release, and toxicological potential of galactomannan-bixin microparticles
33. The Corrosion Inhibition Performance of Eco-Friendly bis-Schiff Bases on Carbon Steel in a Hydrochloric Solution
34. Full Spectroscopic Characterization and Cytotoxicity Activity of Synthetic Dibenzalacetone Derivatives.
35. Carbon steel corrosion inhibition in acid medium by imidazole-based molecules: Experimental and molecular modelling approaches
36. Structural characterization, DFT calculations, ADMET studies, antibiotic potentiating activity, evaluation of efflux pump inhibition and molecular docking of chalcone (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
37. Quantum computational investigations and molecular docking studies on amentoflavone
38. Structural and spectroscopic analysis and evaluation of cytotoxic activity of 2-hydroxychalcones against human cancer cell lines
39. Characterization of the structural, spectroscopic, nonlinear optical, electronic properties and antioxidant activity of the N-{4’-[(E)-3-(Fluorophenyl)-1-(phenyl)-prop-2-en-1-one]}-acetamide
40. Silver electrodeposition at room temperature protic ionic liquid 1-H-methylimidazolium hydrogen sulfate
41. Electrochemical sensing of thiabendazole in complex samples using boron-doped diamond electrode
42. Current overview and perspectives on carbon-based (bio)sensors for carbamate pesticides electroanalysis
43. Análise comparativa de algoritmos de machine learning para previsões de precipitação em séries observadas por estação automática em Campina Grande - PB
44. Electrodeposition of 1-D tellurium nanostructure on gold surface from choline chloride-urea and choline chloride-ethylene glycol mixtures
45. One-step preparation of silver electrodeposits from non-aqueous solvents
46. A potential bio-antioxidant for mineral oil from cashew nutshell liquid: an experimental and theoretical approach
47. Structural, photophysical and electrochemical properties of a novel cardanol-based salophen ligand and its Mn(II) complex
48. Understanding the dipyrone oxidation allying electrochemical and computational approaches
49. Sensing of formetanate pesticide in fruits with a boron-doped diamond electrode
50. Corrosion investigation of the 18Ni 300 grade maraging steel in aqueous chloride medium containing H2S and CO2
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