Navegando por Autor "Demuner, Antonio Jacinto"
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Item Experimental and theoretical studies on the characterization of monocrotaline by infrared and Raman spectroscopies(Journal of Molecular Structure, 2017-05-05) Oliveira, Ramon Prata; Demuner, Antonio Jacinto; Alvarenga, Elson Santiago; Parma, Monica Cropo; Barbosa, Luiz Claudio Almeida; Guimarães, Luciano de Moura; Aguiar, Alex RamosThe use of plants in folk medicine has a long and ancient history in the treatment of various diseases. Currently, a large proportion of commercial drugs are based on natural products or are synthetic compounds inspired on such natural substances. Therefore, in this communication to aid that research, structural and spectroscopic analysis of the natural pyrrolizidine alkaloid called monocrotaline was carried out. Pyrrolizidine alkaloids that are commonly found in the Boraginaceae and Asteraceae families are among the great diversity of secondary metabolites which are produced by plants to act as a defense mechanism against herbivores and microbes. In the present study, the natural product, monocrotaline, an alkaloid isolated from the leaves of Crotalaria paulina, with potential application in medicine, was characterized by infrared (IR) and Raman spectroscopy with the support of Density Functional Theory (DFT) calculations. IR and Raman spectra of monocrotaline were recorded at room temperature ranging from 4000 to 400 cm 1 . DFT calculations with the hybrid functional B3LYP and the basis set 6-31 þ G(d,p) were performed with the purpose of obtaining information on the structural and vibrational properties of this structure. A perfect fit between the experimentally measured frequencies of the IR and Raman spectra and the calculated values were observed, and we have performed the complete identification of monocrotaline by these techniques.Item Isolamento e avaliação da atividade nematicida de constituintes químicos de Mucuna cinerea contra Meloidogyne incognita e Heterodera glycine(Química Nova, 2003-05) Demuner, Antonio Jacinto; Barbosa, Luiz Cláudio de Almeida; Nascimento, Jeferson Chagas do; Vieira, Jessy James; Santos, Maria Amelia dosPhytochemical investigation of the aerial parts and roots of Mucuna cinerea led to the isolation of a mixture of fatty acids, triacylglicerols, b-sitosterol, stigmasterol, stigmasterol glucoside, daucosterol, asperglaucide (4) and the isoflavonoids prunetin (1), genistein (2), medicarpin (3), daidzein (5), 7-O-a-glycopiranosyl daidzein (6). An in vitro bioassay was carried out with compounds 1-4, at the concentration of 50 and 5 mg mL-1 against the phytonematodes M. incognita and H. glycines. Although the four compounds showed some nematocidal property, the most active was (1), causing 70% mortality of M. incognita at the concentration of 50 mg mL-1.Item A novel alkaloid isolated from Crotalaria paulina and identified by NMR and DFT calculations(Journal of Molecular Structure, 2018-02-15) Oliveira, Ramon Prata; Demuner, Antonio Jacinto; Alvarenga, Elson Santiago; Barbosa, Luiz Claudio Almeida; Silva, Thiago de MeloPyrrolizidine alkaloids (PAs) are secondary metabolites found in Crotalaria genus and are known to have several biological activities. A novel macrocycle bislactone alkaloid, coined ethylcrotaline, was isolated and purified from the aerial parts of Crotalaria paulina. The novel macrocycle was identified with the aid of high resolution mass spectrometry and advanced nuclear magnetic resonance techniques. The relative stereochemistry of the alkaloid was defined by comparing the calculated quantum mechanical hydrogen and carbon chemical shifts of eight candidate structures with the experimental NMR data. The best fit between the eight candidate structures and the experimental NMR chemical shifts was defined by the DP4 statistical analyses and the Mean Absolute Error (MAE) calculations.Item Preparation and phytotoxicity of sorgoleone analogues(Química Nova, 2001-11) Barbosa, Luiz Cláudio de Almeida; Ferreira, Maria Lúcia; Demuner, Antonio Jacinto; Silva, Antonio Alberto da; Pereira, Rita de Cássia3,5-Dimethoxybenzylic alcohol was converted into the 2-acetoxy-5-methoxy-3-(pent-1-yl)-1,4-benzoquinone (12), in seven steps, with an overall yield of 14.6%. The natural quinone sorgoleone (1) was isolated from Sorghum bicolor and converted into the corresponding quinone (13) having a saturated side chain. The selective effects of these compounds (1, 12 and 13), at the dose of 5.6 mg of a.i./ g of substrate, on the growth of Cucumis sativus, Lactuca sativa, Desmodium tortuosum, Hyptis suaveolens and Euphorbia heterophylla were evaluated. All three compounds caused some inhibition on the root growth of the test plants (0.0-69.19%) with the aerial parts less affected. The results showed that the triene unit of the sorgoleone side chain is not essential for the phytotoxicity and also the synthetic quinone was as active as the natural product.Item Seasonal variation in the chemical composition and antimicrobial activity of volatile oils of three species of Leptospermum (Myrtaceae) grown in Brazil(Molecules, 2011-01-26) Demuner, Antonio Jacinto; Barbosa, Luiz Claudio Almeida; Magalhaes, Cassia Gonçalves; Silva, Cleber Jose Da; Maltha, Celia Regina Alvares; Pinheiro, Antonio LelisThis study investigates the seasonal variation of three species of Leptospermum (Myrtaceae) grown in Brazil. The chemical composition of the volatile oils of L. flavescens and L. petersonii did not show any significant seasonal variation in the major components, while for Leptospermum madidum subsp. sativum the levels of major constituents of the volatile oils varied with the harvest season. Major fluctuations in the composition of L. madidum subsp. sativum oil included α-pinene (0–15.2%), β-pinene (0.3–18.5%), α-humulene (0.8–30%), 1,8-cineole (0.4–7.1%) and E-caryophyllene (0.4–11.9%). Levels of β-pinene (0.3–5.6%), terpinen-4-ol (4.7–7.2%) and nerolidol (55.1–67.6%) fluctuated seasonally in the L. flavescens oil. In L. petersonii, changes were noted for geranial (29.8–32.8%), citronellal (26.5–33.9%) and neral (22.7–23.5%). The activity of the volatile oils against the tested bacteria differed, depending on season the oils were obtained. In general, the volatile oils were more active against Gram-positive bacteria.