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Coffee beyond the cup: analytical techniques used in chemical composition research—a review

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Abstract

This review contemplates the last twenty years of studies that have coffee as the primary objective. Diverse aspects were addressed, the Brazilian and global production, classification norms, the biological activity of its constituents, and, mostly, the analytical techniques used to verify its chemical composition. Coffee is one of the most consumed beverages globally, exported from more than 47 countries, and has Brazil as its principal producer. Traditionally, the classification of beverage quality performs by a sensory test, evaluating characteristics such as aroma, taste, and texture. The studies carried out show the richness of information that the chemical constituents bring to the final product. The different analytical techniques allied to the chemometric methods show that the constituents or classes of substances in the coffee act like markers of economically important species and geographical origin. These results have led to the development of quality control methodologies used along with the sensory test. Therefore, this review will contribute to the diffusion of analytical techniques used to investigate the coffee chemical constituents.

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Abbreviations

3-CQA:

3-O-caffeoylquinic acid

4-CQA:

4-O-caffeoylquinic acid

5-CQA:

5-O-caffeoylquinic acid

5-HMF:

5-Hydroxymethylfurfural

16-OMC:

16-O-methylcafestol

16-OMK:

16-O-methylkahweol

ABIC:

Brazilian Coffee Industry Association

AOAC:

Association of Official Agricultural Chemists

ASE:

Accelerated solvent extraction

ATR-FT-IR:

Attenuated total reflectance fourier transform infrared spectroscopy

BIS:

Black, immature, and sour

CD:

Circular dichroism

CGA:

Chlorogenic acids

CPMAS:

Magic angle spinning with cross-polarization

CPMASDD:

Magic angle spinning with cross-polarization and dipolar dephasing

CQA:

Caffeoylquinic acids

diCQA:

Dicaffeoylquinic acid

DHS:

Sequential dynamic headspace

DRIFTS:

Diffuse reflectance infrared Fourier transform spectroscopy

ESI(-)FT-ICR MS:

Negative-ion mode electrospray ionization fourier transform ion cyclotron resonance mass spectrometry

ESI-MS:

Electrospray ionization mass spectrometry

FA:

Fatty acids

FD-IC:

Freeze-drying instant coffee

FESEM:

Field emission scanning electron microscopy

FQA:

Feruloylquinic acid

FT-IR-PAS:

Fourier Transform infrared photoacoustic spectroscopy

GA:

Genetic algorithms

GC:

Gas chromatography

GC-C-IRMS:

Gas chromatography-combustion-isotope ratio mass spectrometry

GCE:

Green coffee extract

GC-FID:

Gas chromatography with flame ionization detection

GC × GC-FID:

Two-dimensional GC-FID

GC/MS:

Gas chromatography mass spectrometry

GC-Q/MS:

GC coupled with quadrupole mass spectrometry

GPC:

Gel permeation chromatography

GQ:

Global quality

HCA:

Hierarchical cluster analysis

HG-ICP-OES:

Hydride generation inductively coupled plasma atomic optical spectrometry

HIS:

Hyperspectral imaging

HPAEC:

High-performance anion-exchange chromatography

HPLC:

High-performance liquid chromatography

HPLC-DAD:

HPLC with diode array detection

HR-CS AAS:

High-resolution continuum source atomic absorption spectrometry

HRGC:

High-resolution gas chromatography

HR-ICP-MS:

High resolution inductively coupled plasma mass spectrometry

HS-SPME:

Head space solid-phase microextraction

IC:

Instant coffee

ICO:

International Coffee Organization

ICP-AES:

Inductively coupled plasma atomic emission spectrometry

ICP-OES:

Inductively coupled plasma atomic optical spectrometry

ISO:

International Organization for Standardization

LC:

Liquid chromatography

LC–MS/MS:

Liquid chromatography–tandem mass spectrometry

LC/UV/ESI-MS:

Liquid chromatography coupled with ultraviolet and electrospray ionization mass spectrometry

LDA:

Linear discriminant analysis

LIBS:

Laser-induced breakdown spectroscopy

LOD:

Limit of detection

LOQ:

Limit of quantification

MALDI-TOF MS:

Matrix-assisted laser desorption ionization-time of flight mass spectrometry

MAS:

Magic angle spinning

MLR:

Multiple linear regression

MS:

Mass spectrometry

MSPC:

Multivariate statistical process control

MVM:

Multi-volatile method

NIR:

Near infrared spectroscopy

OPLS-DA:

Orthogonal projection to latent structures discriminant analysis

OPS:

Ordered predictors selection

OSC:

Orthogonal signal correction

PAH:

Polycyclic aromatic hydrocarbon

PCA:

Principal component analysis

PC1:

First principal component

pCoQA:

p-coumaroylquinic acid

PQC:

Coffee quality program (ABIC)

PS-MS:

Paper spray mass spectrometry

PTR:

Proton-transfer-reaction

SBSE/SPME:

Stir bar sorptive extraction solid-phase microextraction

SCAA:

Specialty Coffee Association of America

SCG:

Spent coffee grounds

SD-IC:

Spray drying instant coffee

smSPME-ss-GC/MS:

Simultaneous multiple solid-phase microextraction-single shot-gas chromatography/mass spectrometry

SPA-LDA:

Successive projections algorithm-linear discriminant analysis

SPI-TOF MS:

Single-photon ionization time-of-flight mass spectrometry

SPME-GC:

Solid-phase microextraction-gas chromatography

ssNMR:

Solid-state NMR spectroscopy

SVOC:

Semi-volatile organic compound

TAG:

Triacylglycerol

TEM:

Transmission electron microscopy

TGA:

Thermogravimetric analysis

TTA:

Titratable acidity

UHPLC-MS/MS:

Ultra-high-performance liquid chromatography-tandem mass spectrometry

UPLC MS-IM-QTOF:

Ultra-performance liquid chromatography mass spectrometry-ion mobility-time of flight

UV-Vis:

Ultraviolet-visible spectroscopy

VOC:

Volatile organic compound

XRD:

X-ray diffraction

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Funding

This work was supported by the National Council for Scientific and Technological Development (CNPq) [Grant Number 442793/2014–6], the Bahia State Research Support Foundation (FAPESB), Coordination for the Improvement of Higher Education Personnel (CAPES), and Brazilian Innovation Agency (FINEP).

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  1. Department of Organic Chemistry, Institute of Chemistry, Federal University of Bahia, Salvador, Bahia, 40170-115, Brazil

    Hemerson D. dos Santos & Elisangela F. Boffo

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  1. Hemerson D. dos Santos
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  2. Elisangela F. Boffo
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Correspondence to Elisangela F. Boffo.

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dos Santos, H.D., Boffo, E.F. Coffee beyond the cup: analytical techniques used in chemical composition research—a review. Eur Food Res Technol 247, 749–775 (2021). https://doi.org/10.1007/s00217-020-03679-6

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