Machine learning prediction of the potential pesticide applicability of three dihydroquinoline derivatives: Syntheses, crystal structures and physical properties

WF Vaz, GDC D'Oliveira, CN Perez, BJ Neves… - Journal of Molecular …, 2020 - Elsevier
Increasingly machine learning processes have been applied in the search and development
of compounds that may have specific physicochemical properties to the desired application …

Molecular modeling and nonlinear optical properties of new isostructural halogenated dihydroquinolinones

LO Sallum, C Valverde, IL Andrade… - New Journal of …, 2022 - pubs.rsc.org
Two new isostructural halogenated dihydroquinolinones were synthesized and
characterized by single crystal X-ray diffraction. A detailed isostructural analysis of the …

New ligand metal complexes study: synthesis, spectroscopic, DFT, and docking studies, and molecular structure

EM Zayed - Egyptian Journal of Chemistry, 2022 - journals.ekb.eg
Analytical techniques, spectrum (IR and 1H NMR), molar conductivity, and magnetic moment
measurements were used to synthesize and analyses a ligand (H2L) and its complexes. The …

Effects of chlorine and nitro groups on the crystal structure of novel 4-quinolinone derivatives from sulfonamide chalcone

RR Ternavisk, JMF Custodio, GDC D'Oliveira… - Computational and …, 2024 - Elsevier
This study explores the impact of introducing chlorine and nitro groups into two novel
quinolone derivatives,(E)-3-(4-nitrobenzylidene)-2-(3-nitrophenyl)-2, 3-dihydro-1 …

Structural comparison of five new halogenated dihydroquinoline-4 (1H)-ones

WF Vaz, LJ Michelini, GAR Oliveira, LM Liao… - Journal of Molecular …, 2020 - Elsevier
Abstract Compounds with dihydroquinoline-4 (1H)-one nuclei have been reported in the
literature for being important in the development of medicines due to their broad spectrum of …

Remarkable nonlinear properties of a novel quinolidone derivative: joint synthesis and molecular modeling

C Valverde, RS Vinhal, LFN Naves, JMF Custódio… - Molecules, 2022 - mdpi.com
A novel 4 (1H) quinolinone derivative (QBCP) was synthesized and characterized with
single crystal X-ray diffraction. Hirshfeld surfaces (HS) analyses were employed as a …

Análise estrutural sobre a atividade biológica de um derivado de Tioxopirimidina

LFN Naves - 2021 - 200.137.241.33
[] NÃO Casos de impedimento: Período de embargo por até um ano a partir da data de
defesa. A extensão deste prazo necessita de justificativa junto à coordenação do curso.[] …

[PDF][PDF] Professores do PPGCF

JL Martins - 2020 - rincon061.org
1. Análise Estrutural de Fármacos e Inibidores Biológicos Objetivo: A determinação
experimental de estruturas moleculares (fármacos ou inibidores biológicos) usando a …

Desenvolvimento de materiais cristalinos para aplicações agroquímicas: dihidroquinolinas com potencial fungicida e caracterização de produtos de degradação de s …

WF Vaz - 2021 - search.proquest.com
A demanda por novos agentes agroquímicos gera uma busca, cada vez maior, pelo
desenvolvimento ou aperfeiçoamento de moléculas que possibilitem uma redução no …

[PDF][PDF] Hamilton Barbosa Napolitano

EF Souza - 2020 - 45.4.96.19
1. Análise Estrutural de Fármacos e Inibidores Biológicos Objetivo: A determinação
experimental de estruturas moleculares (fármacos ou inibidores biológicos) usando a …