Quercetin derivatives in roasted Coffea arabica and its popular beverages.

This study is focused on quantification of six quercetin derivatives in roasted Coffea arabica L. from different geographical origins and post-harvest processing methods for the first time. Popular beverages (espresso and moka) were also studied.

On the Cholesterol Raising Effect of Coffee Diterpenes Cafestol and 16--Methylcafestol: Interaction with Farnesoid X Receptor.

The diterpene cafestol represents the most potent cholesterol-elevating compound known in the human diet, being responsible for more than 80% of the effect of coffee on serum lipids, with a mechanism still not fully clarified. In the present study, the interaction of cafestol and 16--methylcafestol with the stabilized ligand-binding domain (LBD) of the Farnesoid X Receptor was evaluated by fluorescence and circular dichroism. Fluorescence quenching was observed with both cafestol and 16--methylcafestol due to an interaction occurring in the close environment of the tryptophan W454 residue of the protein, as confirmed by docking and molecular dynamics.

Mozambican accessions from Ibo and Quirimba Islands: identification and geographical distribution.

Mozambique does not have a tradition of farming or the two species that dominate the worldwide coffee market. However, native coffee plants have been growing spontaneously and in some cases cultivated in the Ibo and Quirimba islands in the north of the country and Inhambane province in the south. Historically there has been confusion over the precise taxonomic classification of these indigenous coffee plants, with different botanists identifying the species as or various synonyms of both.

A chromosome-scale assembly reveals chromosomal aberrations and exchanges generating genetic diversity in Coffea arabica germplasm.

In order to better understand the mechanisms generating genetic diversity in the recent allotetraploid species Coffea arabica, here we present a chromosome-level assembly obtained with long read technology. Two genomic compartments with different structural and functional properties are identified in the two homoeologous genomes. The resequencing data from a large set of accessions reveals low intraspecific diversity in the center of origin of the species.

Exploring the link between coffee matrix microstructure and flow properties using combined X-ray microtomography and smoothed particle hydrodynamics simulations.

Coffee extraction involves many complex physical and transport processes extremely difficult to model. Among the many factors that will affect the final quality of coffee, the microstructure of the coffee matrix is one of the most critical ones. In this article, we use X-ray micro-computed (microCT) technique to capture the microscopic details of coffee matrices at particle-level and perform fluid dynamics simulation based on the smoothed particle hydrodynamics method (SPH) with the 3D reconstructured data.

LC-MS methods combination for identification and quantification of trans-sinapoylquinic acid regioisomers in green coffee.

The present study aims to both identify and quantify trans-sinapoylquinic acid (SiQA) regioisomers in green coffee by combined UHPLC-ESI-QqTOF-MS/MS and UHPLC-ESI-QqQ-MS/MS methods. Among the various mono-acyl chlorogenic acids found in green coffee, SiQA regioisomers are the least studied despite having been indicated as unique phytochemical markers of Coffea canephora (known as Robusta). The lack of commercially available authentic standards has been bypassed by resorting to the advantages offered by high-resolution LC-MS as far as the identification is concerned.

Genetic-environment interactions and climatic variables effect on bean physical characteristics and chemical composition of Coffea arabica.

Background: The effects of the environment and genotype in the coffee bean chemical composition were studied using nine trials covering an altitudinal gradient [600-1100 m above sea level (a.s.l.

Fluorescent Imprinted Nanoparticles for Sensing of Chlorogenic Acid in Coffee Extracts.

Green coffee beans are particularly rich in chlorogenic acids (CGAs), and their identification and quantification are usually performed by HPLC, coupled with mass spectrometry (LC-MS). Although there are a few examples of molecularly imprinted polymers (MIPs) for chlorogenic acid (5-CQA) recognition present in the literature, none of them are based on optical fluorescence, which is very interesting given its great sensitivity. In the present manuscript, fluorescent polymeric imprinted nanoparticles were synthetized following the non-covalent approach using hydrogenated 5--caffeoylquinic acid (H-5-CQA) as the template.

A New HPLC-MS/MS Method for the Simultaneous Determination of Quercetin and Its Derivatives in Green Coffee Beans.

Green coffee ( and ) is one of the most commonly traded goods globally. Their beans are enriched with polyphenols and numerous health benefits are associated with their consumption. The main aim of this work was to develop a new and fast analytical HPLC-MS/MS method to simultaneously determine six flavonoid polyphenolic compounds (quercetin, rutin, isorhamnetin, quercetin-3-glucouronide, hyperoside, and quercitrin) in 22 green coffee samples from six different geographical origins (Ethiopia, Brazil, Guatemala, Nicaragua, India and Colombia).

2,4,6-Trichloroanisole Off-Flavor Screening in Green by a Novel Vocus NO CI-MS Method: A Study on Green Coffee from Different Geographical Origins.

The Rio defect is a coffee off-flavor associated to unpleasant medicinal, phenolic, and iodine-like notes. 2,4,6-Trichloroanisole (TCA) is the main marker of this alteration. A new approach for TCA detection in green coffee beans was evaluated using chemical ionization time-of-flight mass spectrometry and employing a Vocus ion source and ion-molecule reactor (IMR).

Identification of new glycosidic terpenols and norisoprenoids (aroma precursors) in L. green coffee by using a high-resolution mass spectrometry database developed in grape metabolomics.

Grape aroma precursors have been extensively studied and many glycosidically-bound terpenols and C-norisoprenoids were identified. Instead, these compounds were scarcely investigated in green where just few glycosidic compounds were identified so far. By resorting to knowledge of glycoside aroma precursors in grape and the possibility to identify their structures using a high-resolution mass spectrometry database constructed for grape metabolomics, investigation of glycoside precursors in green from different geographical origins, was performed.

Extraction and Chemical Characterization of Functional Phenols and Proteins from Coffee () By-Products.

Not all the coffee produced goes to the roasting stage, because non-compliant green coffee beans are usually discarded by roasters and the silverskin of the coffee is usually removed and discarded. In the present work, non-compliant green coffee beans and coffee silverskins were fully characterized from a chemical point of view. In addition, enzyme-assisted extraction was applied to recover a fraction rich in proteins and polyphenols, tested for antimicrobial, antityrosinase, and antioxidant activities.

Are taste variations associated with the liking of sweetened and unsweetened coffee?

Objective: In this study, we evaluated the influence of taste phenotypes and genotypes on the hedonics of sweetened and unsweetened coffee.

Methods: Liking of espresso coffee from food questionnaire and of a ready-to-drink unsweetened coffee beverage was measured using a 9-point hedonic scale in 1551 Italian individuals. Perception and liking for different bitter and sweet compounds were also collected.

Coffee silverskin: Characterization of B-vitamins, macronutrients, minerals and phytosterols.

The present study assessed the nutritional composition of coffee silverskin (CSS) obtained from arabica roasted coffee. Following validated analytical methods, CSS resulted to be a high source of proteins (14.2 g/100 g) and dietary fibers (51.

Simultaneous Quantification of Antioxidants Paraxanthine and Caffeine in Human Saliva by Electrochemical Sensing for CYP1A2 Phenotyping.

The enzyme CYP1A2 is responsible for the metabolism of numerous antioxidants in the body, including caffeine, which is transformed into paraxanthine, its main primary metabolite. Both molecules are known for their antioxidant and pro-oxidant characteristics, and the paraxanthine-to-caffeine molar ratio is a widely accepted metric for CYP1A2 phenotyping, to optimize dose-response effects in individual patients. We developed a simple, cheap and fast electrochemical based method for the simultaneous quantification of paraxanthine and caffeine in human saliva, by differential pulse voltammetry, using an anodically pretreated glassy carbon electrode.

Real-Time Monitoring of Volatile Compounds Losses in the Oven during Baking and Toasting of Gluten-Free Bread Doughs: A PTR-MS Evidence.

Losses of volatile compounds during baking are expected due to their evaporation at the high temperatures of the oven, which can lead to a decrease in the aroma intensity of the final product, which is crucial for gluten-free breads that are known for their weak aroma. Volatiles from fermentation and lipids oxidation are transferred from crumb to crust, and they flow out to the air together with Maillard and caramelisation compounds from the crust. In this study, the release to the oven of volatile compounds from five gluten-free breads (quinoa, teff and rice flours, and corn and wheat starches) and wheat bread during baking and toasting was measured in real-time using proton transfer reaction-time of flight-mass spectrometry (PTR-ToF-MS).

Validation of a rapid ultra-high-performance liquid chromatography-tandem mass spectrometry method for quantification of chlorogenic acids in roasted coffee.

Chlorogenic acids (CGAs) are a large class of esters formed between quinic acid and hydroxycinnamic acids. They are present in coffee as a complex mixture of positional and geometric isomers, where caffeoylquinic acids (CQAs) are the most abundant, followed by dicaffeoylquinic acids (diCQAs), feruloylquinic acids (FQAs), and p-coumaroylquinic acids (p-CoQAs). The aim of this work is to develop a new reliable and fast liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for simultaneous identification and quantification of total amount of 11 CGAs in roasted coffee.

16-O-Methylated diterpenes in green Coffea arabica: ultra-high-performance liquid chromatography-tandem mass spectrometry method optimization and validation.

Coffee diterpenes are the main constituents of the coffee oil unsaponifiable fraction. The three most important diterpenes are cafestol, kahweol, and 16-O-methylcafestol (16-OMC), and they are produced, except for cafestol, only by plants of the Coffea genus. Recently, in addition to these three major diterpenes, another 16-O-methylated diterpene (16-O-methylkahweol: 16-OMK) has been identified and quantified, for the first time, in Robusta coffee.

Limited genotypic and geographic variability of 16-O-methylated diterpene content in Coffea arabica green beans.

The acknowledged marker of Robusta coffee, 16-O-methylcafestol (16-OMC), can be quantified by NMR as a mixture with 16-O-methylkahweol (16-OMK), which accounts for approximately 10% of the mixture. In the present study, we detected and quantified 16-O-methylated diterpenes (16-OMD) in 248 samples of green Coffea arabica beans by NMR. We did not observe any differences between genotypes introgressed by chromosomal fragments of Robusta and non-introgressed genotypes.

Coffee silverskin extracts: Quantification of 30 bioactive compounds by a new HPLC-MS/MS method and evaluation of their antioxidant and antibacterial activities.

The research of value-added applications for coffee silverskin (CSS) requires studies to investigate potential bioactive compounds and biological activities in CSS extracts. In this study, different ultrasound-assisted extraction (UAE) methods have been tested to extract bioactive compounds from CSS. The obtained extracts, were characterized using a new HPLC-MS/MS method to detect and quantify 30 bioactive compounds of 2 classes: alkaloids and polyphenols (including phenolic acids, flavonoids, and secoiridoids).

A new analytical method for the simultaneous quantification of isoflavones and lignans in 25 green coffee samples by HPLC-MS/MS.

Green coffee, the raw material of roasted coffee and coffee beverages, is one of the most widely traded commodities worldwide. There is a dearth of studies on its content in phytoestrogens such as isoflavones and lignans. Previously, we developed an efficient method for the simultaneous quantification of 6 isoflavones (daidzin, genistin, daidzein, genistein, formononetin and biochanin A) and 3 lignans (secoisolariciresinol, matairesinol and lariciresinol) in green coffee by using HPLC-MS/MS.

An analytical method for the simultaneous quantification of 30 bioactive compounds in spent coffee ground by HPLC-MS/MS.

Spent coffee ground (SCG) is the remaining residue produced after extraction of coffee, and it is considered a source of unextracted bioactive compounds. For this, in the latest years, the attention has been focused to innovative reuses that can exploit the potentiality of SCG. Unfortunately, the content of bioactive compounds has not been thoroughly studied yet, and the major of publication has investigated the caffeine and chlorogenic acids levels, total polyphenol contents, and total flavonoid content.

Hydroxycinnamoyl Amino Acids Conjugates: A Chiral Pool to Distinguish Commercially Exploited spp.

The synthesis of five hydroxycinnamoyl amides (HCAs) was accomplished and their identification and quantification in the green coffee bean samples of , , and was performed. The HCAs -coumaroyl--tyrosine , caffeoyl--phenylalanine , caffeoyl--tyrosine , and -coumaroyl--tryptophan were characteristic of the species while caffeoyl--tryptophan was present in both and , but with higher content in . The HCAs presence was also analyzed in for the first time and none of the targeted compounds was found, indicating that this species is very similar to species.

A single polyploidization event at the origin of the tetraploid genome of Coffea arabica is responsible for the extremely low genetic variation in wild and cultivated germplasm.

The genome of the allotetraploid species Coffea arabica L. was sequenced to assemble independently the two component subgenomes (putatively deriving from C. canephora and C.

Unveiling the Molecular Basis of Mascarpone Cheese Aroma: VOCs analysis by SPME-GC/MS and PTR-ToF-MS.

Mascarpone, a soft-spread cheese, is an unripened dairy product manufactured by the thermal-acidic coagulation of milk cream. Due to the mild flavor and creamy consistency, it is a base ingredient in industrial, culinary, and homemade preparations (e.g.