Química Nova

URI permanente para esta coleçãohttps://thoth.dti.ufv.br/handle/123456789/13323

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Análises quali- e quantitativa de cafés comerciais via ressonância magnética nuclear
(Sociedade Brasileira de Química, 2006) Tavares, Leila Aley; Ferreira, Antonio Gilberto
Coffee is one of the beverages most widely consumed in the world and the "cafezinho" is normally prepared from a blend of roasted powder of two species, Coffea arabica and Coffea canephora. Each one exhibits differences in their taste and in the chemical composition, especially in the caffeine percentage. There are several procedures proposed in the literature for caffeine determination in different samples like soft drinks, coffee, medicines, etc but most of them need a sample workup which involves at least one step of purification. This work describes the quantitative analysis of caffeine using ¹H NMR and the identification of the major components in commercial coffee samples using 1D and 2D NMR techniques without any sample pre-treatment.
Aplicação da cromatografia por exclusão e da cromatografia gasosa de alta resolução na análise do café
(Sociedade Brasileira de Química, 1997) Moreira, R. F. A.; Trugo, L. C.; Maria, C. A. B. de
The combination of high performance exclusion chromatography (HPEC) and gas chromatography (GC) was applied to the analysis of six coffee samples that were previously characterized by sensory tests as of good or poor quality. The data obtained by the two techniques were statistically evaluated by "Principal Components Analysis" (PCA) using selected peak areas. The results showed the potential of the described techniques for coffee analysis. The HPEC technique monitored with the U.V. detector at 272 nm and followed by PCA may be correlated with sensorial data, particularly if a wider group of samples is used.
Componentes voláteis do café torrado. Parte II. Compostos alifáticos, alicíclicos e aromáticos
(Sociedade Brasileira de Química, 2000) Moreira, Ricardo Felipe Alves; Trugo, Luiz Carlos; Maria, Carlos Alberto Bastos De
This review is about the aliphatic, alicyclic and aromatic compounds (non-heterocyclic compounds) that are present in the volatile fractions of roasted coffees. Herein, the contents, aroma precursors and the sensorial properties of volatile phenols, aldehydes, ketones, alcohols, ethers, hydrocarbons, carboxylic acids, anhydrides, esters, lactones, amines and sulphur compounds are discussed. Special attention is given to the compounds of these groups that are actually important to the final aroma of roasted coffees.
Composição volátil dos defeitos intrínsecos do café por CG/EM-headspace
(Sociedade Brasileira de Química, 2009) Bandeira, Raquel D. C. C.; Toci, Aline T.; Trugo, Luiz C.; Farah, Adriana
About 20% of Brazilian raw coffee production is considered inappropriate for exportation. Consequently, these beans are incorporated to good quality beans in the Brazilian market. This by-product of coffee industry is called PVA due to the presence of black (P), green (V) and sour (A) defective beans which are known to contribute considerably for cup quality decrease. Data on the volatile composition of Brazilian defective coffee beans are scarce. In this study, we evaluated the volatile composition of immature, black-immature, black defective beans and PVA compared to good quality beans. Potential defective beans markers were identified.
Determinação de açúcar total em café cru por espectroscopia no infravermelho próximo e regressão por mínimos quadrados parciais
(Sociedade Brasileira de Química, 2007) Morgano, Marcelo A.; Faria, Cristiano Gomes de; Ferrão, Marco F.; Ferreira, Márcia M.C.
In this work a fast method for the determination of the total sugar levels in samples of raw coffee was developed using the near infrared spectroscopy technique and multivariate regression. The sugar levels were initially obtained using gravimety as the reference method. Later on, the regression models were built from the near infrared spectra of the coffee samples. The original spectra were pre-treated according to the Kubelka-Munk transformation and multiplicative signal correction. The proposed analytical method made possible the direct determination of the total sugar levels in the samples with an error lower by 8% with respect to the conventional methodology.
Determinação de compostos bioativos em amostras comerciais de café torrado
(Sociedade Brasileira de Química, 2005) Monteiro, Mariana Costa; Trugo, Luiz Carlos
Coffee is a product consumed all around the world, Brazil being the biggest exporter. However, little is known about the difference in composition of the different brands in terms of bioactive substances. In the present study, ten of the most consumed brands of coffee in Rio de Janeiro were analyzed. Caffeine contents, trigonelline and total chlorogenic acid varied from 0.8 g/100g to 1.4 g/100g; 0.2 g/100g to 0.5 g/100g and from 3.5 g kg-1 to 15.9 g kg-1, respectively. The large heterogeneity observed in the amounts of the bioactive compounds can be attributed to different formulations of the various brands, as well as to different roasting conditions.
Development and validation of a method for the analysis of ochratoxin a in roasted coffee by liquid chromatography/electrospray-mass spectrometry in tandem (LC/ESI-MS/MS)
(Sociedade Brasileira de Química, 2012) Bandeira, Raquel D. C. C.; Uekane, Thais M.; Cunha, Carolina P. da; Geaquinto, Luths R. O.; Cunha, Valnei S.; Caixeiro, Janaina M. R.; Godoy, Ronoel Luiz O.; Cruz, Marcus Henrique C. de la
A method using LC/ESI-MS/MS for the quantitative analysis of Ochratoxin A in roasted coffee was described. Linearity was demonstrated (r = 0.9175). The limits of detection and quantification were 1.0 and 3.0 ng g-1, respectively. Trueness, repeatability and intermediate precision values were 89.0-108.8%; 2.4-13.7%; 12.5-17.8%, respectively. To the best of our knowledge, this is the first report in which Ochratoxin A in roasted coffee is analysed by LC/ESI-MS/MS, contributing to the field of mycotoxin analysis, and it will be used for future production of Certified Reference Material.
Efeito do processo de descafeinação com diclorometano sobre a composição química dos cafés arábica e robusta antes e após a torração
(Sociedade Brasileira de Química, 2006) Toci, Aline; Farah, Adriana; Trugo, Luiz Carlos
The decaffeinated coffee market has been expanding increasingly in the last years. During decaffeination, aroma precursors and bioactive compounds may be extracted. In the present study we evaluate the changes in the chemical composition of C. arabica and C. canephora produced by decaffeination using dichloromethane. A significant change in the chemical composition of both C. arabica and C. canephora species was observed, with differences between species and degrees of roasting. Major changes were observed in sucrose, protein and trigonelline contents after decaffeination. Changes in the levels of total chlorogenic acids and in their isomers distribution were also observed. Lipids and total carbohydrates were not affected as much. The sensory and biological implications of these changes need to be investigated.
Efeito do solvente na extração de ácidos clorogênicos, cafeína e trigonelina em Coffea arabica
(Sociedade Brasileira de Química, 2014) Moreira, Ivanira; Scheel, Guilherme Luiz; Hatumura, Pedro Henrique; Scarminio, Ieda Spacino
In this research work the effects of four solvents and their mixtures on the extraction of chlorogenic acids, caffeine and trigonelline in crude extracts of four coffee cultivars, traditional red bourbon, IAPAR59, IPR101 and IPR108 cultivars, were investigated by UV spectrophotometry and UV spectra obtained from RP-HPLC-DAD. The experimental results and the principal component analysis of UV spectra showed that the effect of solvent extraction of the metabolites does not depend on cultivars, because the spectral characteristics are similar, but the concentrations are different. The UV and UV-DAD spectra for four simplex centroid design mixtures were also similar but the concentrations of caffeine, trigonelline and the chlorogenic acids are different and depend on the solvent used in the extraction.
Espectroscopia no infravermelho médio e análise sensorial aplicada à detecção de adulteração de café torrado por adição de cascas de café
(Sociedade Brasileira de Química, 2012) Tavares, Katiany Mansur; Pereira, Rosemary Gualberto Fonseca Alvarenga; Nunes, Cleiton Antônio; Pinheiro, Ana Carla Marques; Rodarte, Mírian Pereira; Guerreiro, Mário César
Mid-infrared spectroscopy and chemometrics were used to identify adulteration in roasted and ground coffee by addition of coffee husks. Consumers’ sensory perception of the adulteration was evaluated by a triangular test of the coffee beverages. Samples containing above 0.5% of coffee husks from pure coffees were discriminated by principal component analysis of the infrared spectra. A partial least-squares regression estimated the husk content in samples and presented a root-mean-square error for prediction of 2.0%. The triangular test indicated that were than 10% of coffee husks are required to cause alterations in consumer perception about adulterated beverages.
Evaluación de DES, FSC y SPME/CG-MS para la extracción y determinación de compuestos responsables del aroma de café tostado de Vilcabamba - Ecuador
(Sociedade Brasileira de Química, 2016) Figueroa, Jorge G.; Vargas, Luis F.
The aim of this study was to compare the usefulness of three extraction methods: solid-phase microextraction (SPME) with four different coating (PDMS, PDMS/DVB, DVB/CAR/PDMS and PA), supercritical fluid extraction with carbon dioxide (SCF) and simultaneous distillation and extraction (SDE) for isolation of flavor compounds from roasted ground coffee (Coffea arabica L. var. Typica) of Vilcabamba (Ecuador). Identification and characterization of volatile compounds were achieved using gas chromatography / mass spectrometry (GC-MS). Analysis of variance and principal components analysis was done. For the SPME method the coating material affect the amount and concentration of compounds extracted, the DVB/CAR/PDMS coating provided the most representative aroma extract (44 compounds were identified). The SCF method allowed extracting a higher amount of compounds and also their identification by GC-MS (72) that SDE (64) and SPME (57), in addition provide higher extractions. The acetic acid, caffeine, furfuryl alcohol, furfural, 5-methylfurfural, butylated hydroxytoluene and maltol were the compounds with higher concentrations found with SPME and SDE, with SCF were found higher concentration to compounds with high molecular weights (> 194 g mol-1). Preferably SPME-DVB/CAR/PDMS method should be used for a characterization of coffee aroma compounds.
Infravermelho portátil na região do próximo (NIR) aplicado no controle de qualidade de cafés adulterado por borra
(Sociedade Brasileira de Química, 2021-12-02) Correia, Radigya M.; Cunha, Pedro H.; Agnoletti, Bárbara Z.; Pereira, Lucas L.; Partelli, Fábio L.; Filgueiras, Paulo R.; Lacerda Jr, Valdemar; Romão, Wanderson
The objective of this work was to control the purity level of canephora coffees (Conilon coffee) from the state of Espírito Santo (Brazil), as a function of the addition of grounds produced by the coffees themselves using a portable microspectrometer in the infrared region. (microNIR), associated with chemometric tools. The PCA model grouped the coffees according to the level of adulterant in the samples and showed that the presence of moisture and polysaccharides is important for the discrimination between pure and adulterated samples. PLS-DA and SIMCA classification models were built with commercial samples and resulted in the discrimination of authentic and non-authentic samples with accuracy values above 90% and 82% for PLS-DA and SIMCA, respectively. The quantification results presented by the PLS model were satisfactory for all models, reaching the best results at 75 °C with RMSEP values of 6.13 wt%, R2p = 0.9917; and LOD in the range of 5.6-8.9 wt%; LOQ = 17-26.8 wt%, according to IUPAC; relative standard deviation for repeatability of 1.0 and 1.7 wt%; and intermediate precision of 3.4 and 1.1 wt% for low (<10 wt%) and high (≈ 90 wt%) levels of adulterants, respectively. Therefore, this work represents the first exploratory study to analyze adulterations with coffee grounds by portable NIR, demonstrating the potential of the equipment against this type of adulteration.
Método para determinação de carboidratos empregado na triagem de adulterações em café
(Sociedade Brasileira de Química, 2011) Pauli, Elis Daiane; Cristiano, Valderi; Nixdorf, Suzana Lucy
The objective in this work was to validate a chromatography method for the determination of total carbohydrates in soluble coffee, using a HPLC-UV-VIS with postcolumn derivatization system, in order to verify adulterant additions. The validated method was accurate and robust. Adulteration could be observed by increasing xylose and glucose levels in samples with addition of coffee husks and starchy products while decreasing of galactose and mannose characteristic carbohydrates presenting in high concentration in soluble coffees produced by arabica and robusta coffee beans.
Metodologia para análise simultânea de ácido nicotínico, trigonelina, ácido clorogênico e cafeína em café torrado por cromatografia líquida de alta eficiência
(Sociedade Brasileira de Química, 2006) Alves, Sandriel Trindade; Dias, Rafael Carlos Eloy; Benassi, Marta de Toledo; Scholz, Maria Brígida dos Santos
A reverse phase liquid chromatography method was developed for simultaneous determination of trigonelline, caffeine, nicotinic and chlorogenic (5-CQA) acids in roasted coffee. A gradient of acetic acid/acetonitrile was used as mobile phase and detection was carried out in the UV. The samples were extracted with acetonitrile/water (5:95 v/v) at 80 ºC/10 min. Good recovery (89 to 104%), repeatability and linearity were obtained. Detection limits of 0.01, 0.15, 0.04 and 0.04 mg mL-1 were observed for nicotinic acid, trigonelline, 5-CQA and caffeine. The method, applied to arabica and robusta coffees with different degrees of roasting, was efficient and fast (~35 min) and also allowed identification of cinnamic acids.
Saponificação assistida por micro-ondas na extração de diterpenos em café arábica torrado
(Sociedade Brasileira de Química, 2017) Bianchin, Mirelli; Yamashita, Fabio; Benassi, Marta de Toledo
The extraction of kahweol and cafestol involves saponification reaction. This step is important for the efficiency of the extraction as the diterpenes are susceptible to structural changes during hydrolysis. The microwave-assisted saponification has been successfully used in different matrices, but there is no previous report of the use of this technique in the saponification of diterpenes. Therefore, the effect of microwave-assisted saponification on the extraction of kahweol and cafestol in roasted coffee was evaluated. A 32 factorial experimental design was used in order to evaluate the effect of temperature (70, 80, and 90 ºC) and reaction time (4, 8, and 12 min). The quantification of diterpenes was performed by high-performance liquid chromatography and the results were compared to with those obtained by a method, which uses thermostatic bath for saponification. Temperature and time had a significant effect (p < 0.05) on diterpenes levels. For simultaneous saponification of kahweol and cafestol, the optimal reaction conditions were 80 ºC / 12 min. The use of microwave-assisted procedure lead to lower yields of kahweol (24%) and cafestol (35%) compared to reference method. However a significant reduction of reaction time (80%) was achieved, and the procedure also has the advantage of controlled process conditions and the possibility of extended scale.
Supercritical CO2 recovery of caffeine from green coffee oil: new experimental solubility data and modeling
(Sociedade Brasileira de Química, 2008) Azevedo, Álvaro Bandeira Antunes de; Kieckbusch, Theo Guenter; Tashima, Alexandre Keiji; Mohamed, Rahoma Sadeg; Mazzafera, Paulo; Melo, Silvio Alexandre Beisl Vieira de
The caffeine solubility in supercritical CO2 was studied by assessing the effects of pressure and temperature on the extraction of green coffee oil (GCO). The Peng-Robinson¹ equation of state was used to correlate the solubility of caffeine with a thermodynamic model and two mixing rules were evaluated: the classical mixing rule of van der Waals with two adjustable parameters (PR-VDW) and a density dependent one, proposed by Mohamed and Holder² with two (PR-MH, two parameters adjusted to the attractive term) and three (PR-MH3 two parameters adjusted to the attractive and one to the repulsive term) adjustable parameters. The best results were obtained with the mixing rule of Mohamed and Holder² with three parameters.
Teores de compostos bioativos em cafés torrados e moídos comerciais
(Sociedade Brasileira de Química, 2010) Souza, Romilaine Mansano Nicolau de; Canuto, Gisele André Baptista; Dias, Rafael Carlos Eloy; Benassi, Marta de Toledo
The amounts of nicotinic acid, trigonelline, 5-CQA, caffeine, kahweol and cafestol in 38 commercial roasted coffees ranged from 0.02 to 0.04; 0.22 to 0.96; 0.14 to 1.20; 1.00 to 2.02; 0.10 to 0.80 and 0.25 to 0.55 g/100 g, respectively. Evaluation of color and content of thermo-labile compounds indicated similarity in roasting degree. Differences in the levels of diterpenes and caffeine, components less influenced by the roasting degree, could be mainly explained by the species used (arabica and robusta). Gourmet coffees showed high concentrations of diterpenes, trigonelline and 5-CQA and low levels of caffeine, indicating high proportion of arabica coffee.
Teores de trigonelina, ácido 5-cafeoilquínico, cafeína e melanoidinas em cafés solúveis comerciais brasileiros
(Sociedade Brasileira de Química, 2013) Marcucci, Carolina Tolentino; Benassi, Marta de Toledo; Almeida, Mariana Bortholazzi; Nixdorf, Suzana Lucy
Commercial Brazilian regular and decaffeinated instant coffees (33 brands) were studied. The levels ranged from 0.47 to 2.15 g 100 g-1 for trigonelline, 0.38 to 2.66 g 100 g-1 for 5-caffeoylquinic acid (5-CQA), 0.24 to 4.08 g 100 g-1 for caffeine, and 0.253 to 0.476 (420 nm) for melanoidins. Variations in bioactive compound levels among batches were observed. There was no relationship between the drying process and the composition of the products. In general, Gourmet and decaffeinated coffees had higher trigonelline and 5-CQA but lower caffeine and melanoidin content than regular products.
Uso de perfis cromatográficos de voláteis de cafés arábicas torrados para a diferenciação das amostras segundo o sabor, o aroma e a qualidade global da bebida
(Sociedade Brasileira de Química, 2010) Ribeiro, Juliano S.; Augusto, Fabio; Ferreira, Márcia M. C.; Salva, Terezinha J. G.
In this work, the volatile chromatographic profiles of roasted Arabica coffees, previously analyzed for their sensorial attributes, were explored by principal component analysis. The volatile extraction technique used was the solid phase microextraction. The correlation optimized warping algorithm was used to align the gas chromatographic profiles. Fifty four compounds were found to be related to the sensorial attributes investigated. The volatiles pyrrole, 1-methyl-pyrrole, cyclopentanone, dihydro-2-methyl-3-furanone, furfural, 2-ethyl-5-methyl-pyrazine, 2-etenyl-n-methyl-pyrazine, 5-methyl-2-propionyl-furan compounds were important for the differentiation of coffee beverage according to the flavour, cleanliness and overall quality. Two figures of merit, sensitivity and specificity (or selectivity), were used to interpret the sensory attributes studied.
Utilização do índice de retenção linear para caracterização de compostos voláteis em café solúvel utilizando GC-MS e coluna HP-Innowax
(Sociedade Brasileira de Química, 2007) Viegas, Marcelo Caldeira; Bassoli, Denisley Gentil
Gas chromatography coupled with mass spectrometry (GC-MS) is widely used for the characterization of volatile compounds. However, due to the complexity of the soluble coffee matrix, a complete identification of the components should not be based on mass spectra interpretation only. The linear index of retention (LRI) is frequently used to give support to mass spectra. The aim of this work is to investigate the characterization of the volatile compounds in soluble coffee samples by GC-MS using LRI values found with a HP-INNOWAX column. The method used allows a significant increase of the reliability of identifying compounds.