4.6 Article

Lipid characterization of arabica and robusta coffee beans by liquid chromatography-ion mobility-mass spectrometry

Journal

JOURNAL OF FOOD COMPOSITION AND ANALYSIS
Volume 111, Issue -, Pages -

Publisher

ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jfca.2022.104587

Keywords

Coffee; Lipidomics; Ion mobility; LC-MS; Arabica coffee; Robusta coffee

Funding

  1. Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) [001]
  2. Coordenacao de Aperfeicoamento de Nivel Superior Brasil (CAPES)
  3. Fundacao de Amparo a Pesquisa do Estado do Rio de Janeiro (FAPERJ)
  4. EMBRAPA Cafe

Ask authors/readers for more resources

Coffee lipids, such as kahweol, free fatty acids, and triacylglycerols, can be used as discriminant markers for arabica and robusta coffees. A high-resolution technique, LC-IM-qTOF-MS, was used to characterize the lipidome of green arabica and robusta coffee beans. The analysis revealed differences in lipid composition between the two coffee species.
Coffee lipids, such as kahweol, free fatty acids, and triacylglycerols have been described as discriminant markers for arabica and robusta coffees. The lipid characterization of these species may help better understand their differences. Due to the complexity of the lipids, a high-resolution technique, such as liquid chromatography coupled to ion mobility quadrupole time-of-flight mass spectrometry (LC-IM-qTOF-MS), is crucial for a comprehensive perspective of the coffee lipids. Therefore, we analyzed green arabica and robusta coffee beans using LC-IM-qTOF-MS to characterize the lipidome. Brazilian green coffee beans were extracted using the Matyash method. After the LC-IM-qTOF-MS analysis, the raw data were processed via a lipidomics workflow in MS-DIAL. Differences between the lipid composition of the coffee species were revealed by PCA, PLS-DA, and cluster analysis. Around 180 lipid species from 15 distinct classes were annotated in the positive and negative electrospray ionization modes, including different isobaric N-beta-alkanoyl-5-hydroxytryptamides (C5-HT). Triacylglycerols (TG) (TG 48:2, TG 58:5) and C5-HTs (C22(OH)-5HT, C24-5HT) were positively associated with arabica coffees, whereas diacylglycerols (DG) (DG 36:0, 38:3) were linked to robusta. This investigation expands our knowledge about coffee lipids, opening new possibilities to improve authentication and agronomical practices.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.6
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Chemistry, Applied

Vanilla flavor: Species from the Atlantic forest as natural alternatives

Joana Paula da Silva Oliveira, Rafael Garrett, Maria Gabriela Bello Koblitz, Andrea Furtado Macedo

Summary: The global demand for natural vanilla is increasing, but commercial crops are threatened with extinction due to lack of genetic diversity and susceptibility to climate change, pandemic diseases, etc. New sources of vanilla need to be identified urgently to solve the vanilla crisis. The study demonstrates the bioeconomic potential of V. bahiana and V. chamissonis, revealing important flavor compounds and distinct flavor descriptors associated with these species.

FOOD CHEMISTRY (2022)

Review Food Science & Technology

ΒN-Alkanoyl-5-Hydroxytryptamines (Cn-5HTs) in Coffee: A Review

A. L. M. Brand, F. A. Lima, N. A. B. Tinoco, J. C. Mota, I. G. S. Moreira, F. J. M. Novaes, R. Garrett, T. B. S. Giorno, P. D. Fernandes, C. M. Rezende

Summary: N-Beta-alkanoyl-5-hydroxytryptamines (C-n-5HTs) are serotonin amides found in coffee beans and brew. They have significant biological activities and are formed during the roasting of coffee beans.

FOOD REVIEWS INTERNATIONAL (2023)

Article Zoology

Neotropical mustelids: fecal metabolome diversity and its potential for taxonomic discrimination

Lana Resende de Almeida, Marina Amaral Alves, Ana Maria Obino Mastella, Rafael Garrett, Maria Joao Ramos Pereira

Summary: The chemical profiles of non-invasive biological material, such as feces, can be used to study elusive animals. This study used a metabolomic approach to analyze fecal samples of Neotropical mustelids, and successfully identified different species based on their metabolomic profiles.

INTEGRATIVE ZOOLOGY (2023)

Article Biochemical Research Methods

Combining high-speed countercurrent chromatography three-phase solvent system with electrospray ionization-mass spectrometry and nuclear magnetic resonance to profile the unconventional food plant Syzygium malaccense

Aline Gomes Lopes, Ricardo Moreira Borges, Stefan Kuhn, Rafael Garrett, Fernanda das Neves Costa

Summary: The chemical composition of Syzygium malaccense leaves was analyzed using HSCCC fractionation coupled with ESI-MS and NMR techniques, resulting in the annotation of 90 compounds, most of which were described for the first time in the plant. NMR data provided structural confirmation and substitution patterns, enriching the understanding of compounds in Syzygium malaccense.

JOURNAL OF CHROMATOGRAPHY A (2022)

Article Medical Laboratory Technology

Untargeted LC-HRMS metabolomics reveals candidate biomarkers for mucopolysaccharidoses

Clarisse L. Torres, Fernanda B. Scalco, Maria Lucia C. de Oliveira, Roy W. A. Peake, Rafael Garrett

Summary: In this study, untargeted metabolomics using LC-HRMS was applied to identify potential biomarkers for MPS disorders. The study found significant differences in the metabolome of MPS patients compared to controls, which can be utilized for diagnosis and treatment monitoring of MPS.

CLINICA CHIMICA ACTA (2023)

Article Food Science & Technology

Glimpsing the chemical composition and the potential of Myrtaceae plant extracts against the food spoilage fungus Thielaviopsis ethacetica

Jorge Andres Duarte, Gabrielle Alves Ribeiro da Silva, Francisco Paiva Machado, Diogo Folly, Evelyn Penaloza, Rafael Garrett, Marcelo Guerra Santos, Jose Aires Ventura, Guilherme Freimann Wermelinger, Bruno Kaufmann Robbs, Leandro Rocha, Sorele Batista Fiaux

FOOD CONTROL (2023)

Review Plant Sciences

A Scoping Review of Genus Viscum: Biological and Chemical Aspects of Alcoholic Extracts

Michelle Nonato de Oliveira Melo, Joao Vitor da Costa Batista, Evelyn Maribel Condori Penaloza, Adriana Passos Oliveira, Rafael Garrett, Stephan Baumgartner, Carla Holandino

Summary: This article summarizes the research on alcoholic extracts of Viscum species, revealing their hypotensive, anticancer, antimicrobial, analgesic, and anti-inflammatory activities. Flavonoids, phenolic acids, and terpenoids are identified as the main components. However, there is a lack of clinical studies on these extracts.

PLANTS-BASEL (2023)

Article Biochemical Research Methods

High-speed countercurrent chromatography with offline detection by electrospray mass spectrometry and nuclear magnetic resonance detection as a tool to resolve complex mixtures: A practical approach using Coffea arabica leaf extract

Aline Camargo Jesus de Souza Wuillda, Fernanda das Neves Costa, Rafael Garrett, Mauro dos Santos de Carvalho, Ricardo Moreira Borges

Summary: This study aimed to develop a method for the identification of secondary metabolites in plant extracts with high confidence in a short time. By using countercurrent chromatography, liquid chromatography coupled with high-resolution tandem mass spectrometry, and statistical total correlation spectroscopy, a total of 57 compounds were identified in an ethanolic extract of Coffea arabica leaves, with 20 compounds previously described and 37 compounds reported for the first time. This method can be effectively, rapidly, and reliably applied to the study of other complex extracts.

PHYTOCHEMICAL ANALYSIS (2023)

Article Biochemistry & Molecular Biology

Integrated NMR and MS Analysis of the Plasma Metabolome Reveals Major Changes in One-Carbon, Lipid, and Amino Acid Metabolism in Severe and Fatal Cases of COVID-19

Marcos C. C. Gama-Almeida, Gabriela D. A. Pinto, Livia Teixeira, Eugenio D. D. Hottz, Paula Ivens, Hygor Ribeiro, Rafael Garrett, Alexandre G. G. Torres, Talita I. A. Carneiro, Bianca de O. Barbalho, Christian Ludwig, Claudio J. J. Struchiner, Iranaia Assuncao-Miranda, Ana Paula C. Valente, Fernando A. A. Bozza, Patricia T. Bozza, Gilson C. C. dos Santos Jr, Tatiana El-Bacha

Summary: Brazil has the second-highest COVID-19 death rate worldwide, with Rio de Janeiro being one of the states with the highest rate in the country. Despite vaccine coverage, COVID-19 is expected to become an endemic disease. The molecular mechanisms underlying the progression of the disease and the development of long COVID-19 are still not fully understood.

METABOLITES (2023)

Article Multidisciplinary Sciences

Secondary metabolites related to the resistance of Psidium spp. against the nematode Meloidogyne enterolobii

Sara Nallia de Oliveira Costa, Marcos Vinicius Toledo e Silva, Juliana Martins Ribeiro, Jose Mauro da Cunha e Castro, Michelle Frazao Muzitano, Rafael Garrett da Costa, Antonia Elenir Amancio Oliveira, Katia Valevski Sales Fernandes

Summary: This study aims to compare the metabolomic profiles of infected and uninfected roots of different Psidium spp. to identify potential secondary metabolites for nematode control. The findings show that the plant metabolism of all three species undergoes alterations in response to the infection, particularly in terms of polar secondary metabolites. Interestingly, non-polar substances, including terpenes, were found in the resistant and immune species, suggesting their potential role as inhibitors of the nematode.

HELIYON (2023)

Article Chemistry, Analytical

Development of a kit for urine collection on filter paper as an alternative for Pompe disease screening and monitoring by LC-HRMS

Hygor M. R. de Souza, Fernanda B. B. Scalco, Rafael Garrett, Flavia F. de C. Marques

Summary: In this study, a filter paper-based urine collection kit was developed to facilitate specimen shipment, and liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS) was used to determine Glc(4) and creatinine in dried urine on the filter paper. The results showed a good relationship between the urine samples on the filter paper and liquid urine samples, as well as between Glc(4) and creatinine. The reliability of the urine collection kit and analysis method to determine the PD biomarker Glc(4) was demonstrated by simulating real conditions through postal delivery.

ANALYTICAL METHODS (2023)

Article Endocrinology & Metabolism

Combined targeted and untargeted high-resolution mass spectrometry analyses to investigate metabolic alterations in pompe disease

Mariana B. M. de Moraes, Hygor M. R. de Souza, Maria L. C. de Oliveira, Roy W. A. Peake, Fernanda B. Scalco, Rafael Garrett

Summary: This study developed a simple methodology using LC-HRMS for targeted quantitative analysis of Glc(4) combined with untargeted metabolic profiling, aiming to search for complementary biomarkers in Pompe disease. The results revealed several metabolites that were significantly altered in Pompe disease, including Glc(4), creatine, sorbitol/mannitol, L-phenylalanine, N-acetyl-4-aminobutanal, N-acetyl-L-aspartic acid, and 2-aminobenzoic acid. A panel of these metabolites improved sample class prediction compared to a single biomarker.

METABOLOMICS (2023)

Article Toxicology

Chromatographic profile, in silico and in vivo study of the pharmacokinetic and toxicological properties of major constituent present in kefir, the kefiran

Susy Erika de Lima Barros, Henrique Barros de Lima, Leandra Karoline Alves Goncalves, Lenir Cabral Correia, Maiara de Fatima de Brito Brito, Mariana Pegrucci Barcelos, Guilherme Martins Silva, Carlos Henrique Tomich de Paula da Silva, Rafael Garrett da Costa, Rodrigo Alves Soares Cruz, Jose Carlos Tavares Carvalho, Lorane Izabel da Silva Hage-Melim

Summary: This study conducted a comprehensive investigation on kefiran from milk kefir, including characterization and quantification of its components, in silico assessment of pharmacokinetic and toxicological properties, and evaluation of acute toxicity in zebrafish. The results indicated that kefiran had low oral and intestinal absorption, poor solubility, low lipophilicity, and low permeability in MDCK and Caco-2 cells, as well as incapability to cross the blood-brain barrier. In silico toxicity assessment showed no structural alerts for kefiran. In zebrafish, a dose of 2,000 mg/kg kefiran did not cause significant alterations in the analyzed organs. Therefore, kefiran is considered to have an acceptable degree of safety for use in drug or functional food development.

TOXICOLOGY RESEARCH (2022)

Article Chemistry, Multidisciplinary

DEVELOPMENT AND APPLICATION OF A TEST MIXTURE FOR UNTARGETED LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY ANALYSIS OF URINE SAMPLES

Clarisse L. Torres, Vinicius F. Sardela, Fernanda B. Scalco, Francisco R. de Aquino Neto, Rafael Garrett

Summary: Metabolic profiling using LC-MS allows detection of metabolites with distinct concentrations and properties. Quality control strategies are necessary for obtaining high-quality data. A test mixture (TM) was developed and used for untargeted metabolomics of urine samples, providing a rapid assessment of LC-MS system performance and avoiding analysis of poor-quality data.

QUIMICA NOVA (2022)

Article Chemistry, Multidisciplinary

GUIA PARA PROCESSAMENTO DE DADOS DE CROMATOGRAFIA ACOPLADA A ESPECTROMETRIA DE MASSAS

Ricardo Moreira Borges, Joao Victor Mendes Resende, Aldebaran Oliveira de Moraes, Alana Kelyene Pereira, Rafael Garrett, Anelize Bauermeister, Antonio Jorge Ribeiro da Silva

Summary: This work provides a detailed tutorial on LC-MS and GC-MS data processing using MZMine2 software, emphasizing the importance of parameter selection based on raw data and the flexibility and key role of data interpretation during the processing.

QUIMICA NOVA (2022)

Article Chemistry, Applied

Design and fabrication of a new sol-gel based sensor for the visual detection of oxalate and investigation of the effect of boiling on the oxalate content of some foods

Ziba Hosseinpour, Vida Rezaei

Summary: Sol-gel chemistry is a unique method for constructing high-performance flexible sensors. This study successfully developed a novel naked eye sensor for fast detection of oxalate by incorporating indole inside the pores of sol-gel silica glasses. The sol-gel films exhibited excellent sensitivity, leaching resistance, and response time under optimized conditions. The prepared sensor showed a wide detection range and low detection limit for oxalate, and displayed good precision for both inter-day and intra-day measurements.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

An optimization approach on the determination of volatile composition, bioactive compounds and sensory properties of Lben: Effect of fermentation conditions, starter system and substrate composition

S. T. Sarhir, R. Belkhou, A. Bouseta, A. A. Hayaloglu

Summary: In order to optimize the quality of Lben, this study investigated the impact of starter, fermentation conditions and substrate composition on its organoleptic and technological characteristics using response surface methodology. An optimized model for Lben production was developed based on fermentation time, Lben sensory quality and its biological activities.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Non-carcinogenic human risk assessment of the consumption of infant formulas contaminated with total and organic mercury

Kornelia Kadac-Czapska, Malgorzata Rutkowska, Eliza Knez, Piotr Konieczka, Malgorzata Grembecka

Summary: The quality of food is crucial for the healthy growth of children, and this study investigated the levels of mercury in infant formulas. The analysis revealed significant variations in mercury levels among different products. While the current assessment suggests mercury content is within acceptable limits, elevated levels in certain products may pose health risks.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Free and bound polar phenols in Corinthian currants (Vitis vinifera L., var. Apyrena)

Velisaria-Eleni Gerogianni, Eirini A. Panagopoulou, Paraskevi B. Vasilakopoulou, Vaios T. Karathanos, Antonia Chiou

Summary: This study evaluated the content of free and bound polar phenols in Corinthian currant and identified phenolic acids and flavonoids as components of its bound polar phenol fraction. An efficient method for the release of bound phenols from the fruit matrix was also applied. This research has significant implications for understanding the health benefits of Corinthian currant.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Classification of sugar using digital imaging and pattern recognition techniques

Jose Eduardo de Matos Paz, Aline Macedo Dantas, David Douglas de Sousa Fernandes, Marcio Jose Coelho Pontes

Summary: This work presents a new methodology based on digital images and multivariate analysis for the classification of sugar samples based on their color. By analyzing the frequency distribution of color indices and developing classification models, high accuracy can be achieved. The proposed method offers advantages such as low cost, simplicity, and non-destructiveness.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Influence of the type of Sherry wine and the seasoning length of time on the organic acids, volatile compounds, and sensory profile of Brandy de Jerez

Maria Guerrero-Chanivet, Manuel J. Valcarcel-Munoz, M. Valme Garcia-Moreno, M. Carmen Rodriguez-Dodero, Dominico A. Guillen-Sanchez

Summary: This study conducted a comprehensive analysis of Brandies de Jerez aged in Sherry Casks with different seasoning times and types, demonstrating significant differences in chemical composition and sensory characteristics among the brandies.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Effective measurement of starch and dry matter content in fresh cassava tubers using interactance Vis/NIR spectra

Chayuttapong Malai, Kanvisit Maraphum, Khwantri Saengprachatanarug, Seree Wongpichet, Arthit Phuphaphud, Jetsada Posom

Summary: The quality of cassava can be measured using NIR spectroscopy to determine the starch content and dry matter content. A model developed from different scanning methods and surface conditions was compared, and the accuracy of the model using selected wavelengths was assessed. The prediction accuracy was found to depend on the scanning method, with the horizontal spectra obtaining the highest accuracy. The CARS-PLSR method was considered appropriate for predicting starch content, and the BOSS-PLSR method for predicting dry matter content.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Multi-residue detection of antibiotics in migratory goat milk and human health risk assessment in Western Himalayan region, India

Abhishek Sharma, Atul Kumar

Summary: This study detected antibiotics residues in goat milk in the Western Himalayan region of India and assessed the related health risks. It was found that the contamination did not pose acute health risks to adults and children at current levels, but children may be at a greater risk. The study highlights the need for monitoring and education to protect human health.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Nutritional content, amino acid profile, and protein properties of edible insects (Tenebrio molitor and Gryllus assimilis) powders at different stages of development

Livya Alves Oliveira, Stephanie Michelin Santana Pereira, Kelly Aparecida Dias, Stefany da Silva Paes, Mariana Grancieri, Luis Gonzalo Salinas Jimenez, Carlos Wanderlei Piler de Carvalho, Eugenio Eduardo de Oliveira, Hercia Stampini Duarte Martino, Ceres Mattos Della Lucia

Summary: This study characterized the powders of Tenebrio molitor and Gryllus assimilis, two types of insects, at different developmental stages. The powders were found to be rich in proteins, minerals, and vitamins, and showed good digestibility and solubility. The developmental stage of the insects affected their nutritional composition and functional properties.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Soluble solids profile of Brazilian Vitis labrusca and hybrid grape musts, from the 2012-2022 harvest

Fernanda Rodrigues Spinelli, Jucara Aparecida Andre, Paulo Gustavo Celso, Marlos Schuck Vicenzi, Eder Julio Kinast, Caren Regina Cavichioli Lamb, Glauco Bertoldo

Summary: The production, marketing and consumption of grape juices have been constantly increasing in recent years due to consumers' search for products with proven health benefits. Brazilian data shows that grape juice produced from V. labrusca L. and hybrids has a lower soluble solids content, with more than half of the production falling between 14 and 16 degrees Brix. This suggests the need to re-discuss the 16 degrees Brix limit established by CXS 247-2005.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Classification of Algerian olive oils: Physicochemical properties, polyphenols and fatty acid composition combined with machine learning models

Fatima Zohra Issaad, Ala Abdessemed, Khalid Bouhedjar, Hani Bouyahmed, Mouna Derdour, Karima Ouffroukh, Ahmed Fellak, Mohamed Abd Salem Dems, Salah Chihoub, Radouane Bechlem, Abdelkader Mahrouk, Mourad Houasnia, Amine Belaidi, Khaled Moumed, Zohir Sebai, Faiza Saidani, Houria Akmouche

Summary: This study investigates the differences in physicochemical parameters and composition of monovarietal extra virgin olive oil from different varieties in Algeria, and applies machine learning techniques for classification and verification analysis.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Occurrence and dietary exposure to metals and pesticides in Citrus fruits: A probabilistic assessment of risk to health of Iranian consumers

Seyedeh Faezeh Taghizadeh, Ramin Rezaee, Gholamreza Karimi

Summary: This study assessed the risk of simultaneous oral exposure to a combination of 20 pesticides and 7 metals in citrus fruit samples. The results showed that the oral exposure to non-carcinogenic metals did not pose a major risk, while nickel intake presented a moderate risk. The intake of organophosphorus compounds indicated a moderate risk, while no significant risk was found for pyrethroids.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Effect of fermentation technologies on the structural composition of polymeric polyphenols in aged red wines

Jian Zhao, Min Guo, Patricia Martins, Joao Ramos, Lingxi Li, Baoshan Sun

Summary: This study analyzed the structural composition of eight-year-old Syrah red wines produced using different winemaking technologies. The results showed that the structural features of polymeric polyphenols, including the proportions of proanthocyanidins, amino acids, phenolic acids, and anthocyanins, as well as the mean degree of polymerization, varied significantly depending on the winemaking technology used. These findings are important for winemakers to control the polymeric polyphenol composition of wines.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Development of innovative technology reducing the levels of Polycyclic Aromatic Hydrocarbons in grilled meat and smoked fish

Mahunan Francois Assogba, Roger Houechene Ahouansou, N. Olive Ruth Djohi, Yenoukounme Euloge Kpoclou, Gildas Dona Anihouvi, Herbert Ogouyo Iko Af Afe, Biowa Franck Tchibozo, Caroline Douny, Jacques Mahillon, Marie -Louise Scippo, Djidjoho Joseph Hounhouigan, Victor Bienvenu Anihouvi

Summary: This study assessed the performance of new equipment and aimed to reduce the level of polycyclic aromatic hydrocarbons (PAHs) in the end products. The results showed that using QUALISANI equipment with charcoal achieved the highest thermal efficiency and the lowest PAH levels in compliance with standards.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)

Article Chemistry, Applied

Comprehensive quality analyses of important apricot varieties produced in Türkiye

Mehmet Ali Saridas, Erdal Agcam, Nafiye Unal, Asiye Akyildiz, Sevgi Paydas Kargi

Summary: Turkey's geographical location and climate conditions are suitable for growing various fruit species, with apricots being the most famous. Local and foreign varieties differ significantly in terms of soluble solids and acid content. The low taste values in foreign varieties are mainly due to their genotypic structure and early harvest. There are also differences in the main sugars and acid content among different apricot varieties.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2024)