Fingerprinting FTIR-ATR Fraksi Kopi Robusta dan Arabika serta Korelasinya terhadap Aktivitas Antioksidan

Masjuwina Simatupang, Dian Herawati, Nancy Dewi Yuliana

Abstract

Coffee has a positive effect on health due to its high content of antioxidant compounds. The potential antioxidant activity of coffee is strongly influenced by its chemical compound profile. This study aimed to analyze the effect of different solvents on the chemical metabolites profile, antioxidant activity, and to determine the relevant chemical functional groups which positively contribute to the coffee’s antioxidant activity. In this study, methanolic extract of coffee samples from robusta and arabica varieties were fractionated by liquid-liquid fractionation method using four solvents with different polarities. ABTS (2,2'-azinobis (3-ethylbenzothiazoline-6-sulphonic acid) and cupric reducing antioxidant capacity (CUPRAC) assays were applied to measure the antioxidant activity of the coffee fractions. Fourier Transform Infrared- Attenuated Total Reflectance (FTIR-ATR) based chemometric approach was used to identify the compound functional groups as the fingerprinting profile of the coffee fractions. Correlation between the FTIR-ATR fingerprinting with the antioxidant activity of the coffee fractions was studied using multivariate data analysis, i.e. Principal Component Analysis (PCA) and Orthogonal Partial Least Squares (OPLS). From this study, a reliable PCA model to evaluate the effect of different solvents to FTIR-ATR fingerprinting profile was produced. The correlation between FTIR-ATR fingerprinting profile with the antioxidant activity and the characterization of the chemical functional groups relevant to its antioxidant activity can be analyzed by a reliable OPLS model obtained. This study suggests that the highest antioxidant potential in coffee is found in ethyl acetate fraction both in robusta and arabica coffee samples, while the relevant chemical functional groups having positive correlation to antioxidant activity of coffee were phenol, carbonyl, cyclohexane, aromatic, amide, phenyl, amino, and alkene groups.

References

Abreu MB, Marcheafave GG, Bruns RE, Scarminio IS, Zeraik ML. 2020. Spectroscopic and chromatographic fingerprints for discrimination of specialty and traditional coffees by integrated chemometric methods. Food Anal Methods 13: 2204–2212. https://doi.org/10.1007/s12161-020-01832-1

Abubakar AR, Haque M. 2020. Preparation of medicinal plants: Basic extraction and fractionation procedures for experimental purposes. J Pharm Bioallied Sci 12: 1-10. https://doi.org/10.4103/jpbs.JPBS_175_19

Adetunji OA, Coker-Osiwoga TF, Okwuanalu C, Adetayo MO, Adetunji OC, Ogunbiyi BT, Amah GH, Adetunji OA. 2021. Comparative study of phytochemical constituents, caffeine levels and proximate composition of liven alkaline coffee, nescafe original coffee and nescafe original decaffeinated coffee. EAS J Nutr Food Sci 3: 94-99.

Anh-Dao LT, Nhon-Duc L, Cong-Hau N, Thanh-Nho N. 2022. Variability of total polyphenol contents in ground coffee products and their antioxidant capacities through different reaction mechanisms. Biointerface Res Appl Chem 12: 4857-4870. https://doi.org/10.33263/BRIAC124.48574870

Anwar F, Qayyum HMA, Hussain AI, Iqbal S. 2010. Antioxidant activity of 100% and 80% methanol extracts from barley seeds (Hordeum vulgare L.): Stabilization of sunflower oil. Grasas y Aceites 61: 237-243. https://doi.org/10.3989/gya.087409

[AOAC] Association of Official Analytical Chemist. 2012. Official methods of analysis of the AOAC international 19th edition Method 979.12. Association of Official Analytical Chemist.

Bastian F, Hutabarat OS, Dirpan A, Nainu F, Harapan H, Emran TB, Simal-Gandara J. 2021. From plantation to cup: changes in bioactive compounds during coffee processing. Foods 10: 2827. https://doi.org/10.3390/foods10112827

Beasley MM, Bartelink EJ, Taylor L, Miller RM. 2014. Comparison of transmission FTIR, ATR, and DRIFT spectra: Implications for assessment of bone bioapatite diagenesis. J Archaeol Sci 46: 16-22. https://doi.org/10.1016/j.jas.2014.03.008

Belchior V, Botelho BG, Franca AS. 2022. Comparison of spectroscopy-based methods and chemometrics to confirm classification of specialty coffees. Foods 11: 1655. https://doi.org/10.3390/foods11111655

Bicho NC, Leitão AE, Ramalho JC, Lidon FC. 2012. Use of colour parameters for roasted coffee assessment. Ciênc Tecnol Aliment Campinas 32: 436-442. https://doi.org/10.1590/S0101-20612012005000068

Blasco H, Błaszczyński J, Billaut J-C, Nadal-Desbarats L, Pradat P-F, Devos D, Moreau C, Andres CR, Emond P, Corcia P, Słowiński R 2015. Comparative analysis of targeted metabolomics: Dominance-based rough set approach versus orthogonal partial least square-discriminant analysis. J Biomed Inform 53: 291-299. https://doi.org/10.1016/j.jbi.2014.12.001

Cano-Marquina A, Tarín JJ, Cano A. 2013. The impact of coffee on health. Maturitas 75: 7–21. https://doi.org/10.1016/j.maturitas.2013.02.002

Craig AP, Botelho BG, Oliveira LS, Franca AS. 2017. Mid infrared spectroscopy and chemometrics as tools for the classification of roasted coffees by cup quality. Food Chem 245: 1052-1061. https://doi.org/10.1016/j.foodchem.2017.11.066

Craig AP, Franca AS, Oliveira LS, Irudayaraj J, Ileleji K. 2015. Fourier transform infrared spectroscopy and near infrared spectroscopy for the quantification of defects in roasted coffees. Talanta 134: 379-386. https://doi.org/10.1016/j.talanta.2014.11.038

Derossi A, Ricci I, Caporizzi R, Fiore A, Severini C. 2018. How grinding level and brewing method (espresso, american, turkish) could affect the antioxidant activity and bioactive compounds in a coffee cup. J Sci Food Agric 98: 3198-3207. https://doi.org/10.1002/jsfa.8826

Eriksson L, Byrne T, Johansson E, Trygg J, Vikstrom C. 2013. Multi-and Megavariate Data Analysis Basic Principle and Applications. 3rd edition. 419-424. Stockholm: Umetrics Academy Publisher.

Galindo-Prieto B, Eriksson L, Trygg J. 2014. Variable influence on projection (VIP) for orthogonal projections to latent structures (OPLS). J Chemom 28: 623-632. https://doi.org/10.1002/cem.2627

Gonçalves D, Teschke MEE, Koshima CC, Gonçalves CB, Oliveira AL, Rodrigues CEC. 2015. Fractionation of orange essential oil using liquid-liquid extraction: Equilibrium data for model and real systems at 298.2 K. Fluid Phase Equilib 399: 87-97. https://doi.org/10.1016/j.fluid.2015.04.022

Hameed A, Hussain SA, Ijaz MU, Ullah S, Pasha I, Suleria HAR. 2018. Farm to consumer: Factors affecting the organoleptic characteristics of coffee. II: Postharvest processing factors. Compr Rev Food Sci Food Saf 17: 1184-1237. https://doi.org/10.1111/1541-4337.12365

Herawati D, Giriwono PE, Dewi FNA, Kashiwagi T, Andarwulan N. 2019a. Critical roasting level determines bioactive content and antioxidant activity of Robusta coffee beans. Food Sci Biotechnol 28: 7-14. https://doi.org/10.1007/s10068-018-0442-x

Herawati D, Giriwono PE, Dewi FNA, Kashiwagi T, Andarwulan N. 2019b. Three major compounds showing significant antioxidative, α-glucosidase inhibition, and antiglycation activities in Robusta coffee brew. Int J Food Prop 22: 994-1010. https://doi.org/10.1080/10942912.2019.1622562

Kurniawan MF, Andarwulan N, Wulandari N, Rafi M. 2017. Metabolomic approach for understanding phenolic compounds and melanoidin roles on antioxidant activity of Indonesia robusta and arabica coffee extracts. Food Sci Biotechnol 26: 1475-1480. https://doi.org/10.1007/s10068-017-0228-6

Liang N, Lu X, Hu Y, Kitts DD. 2016a. Application of attenuated total reflectance-fourier transformed infrared (ATR-FTIR) spectroscopy to determine chlorogenic acid isomer profile and antioxidant capacity of coffee beans antioxidant capacity of coffee beans. J Agric Food Chem 64: 681-689. https://doi.org/10.1021/acs.jafc.5b05682

Liang N, Xue W, Kennepohl P, Kitts DD. 2016b. Interactions between major chlorogenic acid isomers and chemical changes in coffee brew that affect antioxidant activities. Food Chem 213: 251-259. https://doi.org/10.1016/j.foodchem.2016.06.041

Link JV, Lemes ALG, Marquetti I, dos Santos Scholz MB, Bona E. 2014. Geographical and genotypic classification of arabica coffee using fourier transform infrared spectroscopy and radial-basis function networks. Chemom Intell Lab Syst 135: 150-156. https://doi.org/10.1016/j.chemolab.2014.04.008

Long FH. 2013. Proteomic and Metabolomic Approaches to Biomarker Discovery: Multivariate analysis for metabolomics and proteomics data. 2nd edition. 395-407. Elsevier Inc, United States.

Loyao AS, Villasica SLG, Dela Peña PLL, Go AW. 2018. Extraction of lipids from spent coffee grounds with non-polar renewable solvents as alternative. Ind Crops Prod 119: 152-161. https://doi.org/10.1016/j.indcrop.2018.04.017

Ludwig IA, Clifford MN, Lean MEJ, Ashihara H, Crozier A. 2014. Coffee: Biochemistry and potential impact on health. Food Funct 5: 1695-1717. https://doi.org/10.1039/c4fo00042k

Michail A, Sigala P, Grigorakis S, Makris DP. 2016. Kinetics of ultrasound-assisted polyphenol extraction from spent filter coffee using aqueous glycerol. Chem Eng Commun 203: 407-413. https://doi.org/10.1080/00986445.2015.1004667

Munyendo L, Njoroge D, Hitzmann B. 2022. The potential of spectroscopic techniques in coffee analysis—A Review. Processes 10: 71. https://doi.org/10.3390/pr10010071

Nawrocka A, Lamorska J. 2013. Determination of Food Quality by Using Spectroscopic Methods. Advance in Agrophysical Research. 347-362 IntechOpen, London. https://doi.org/10.5772/52722

Niwagaba J, KipkoechSitienei W. 2019. Effect of moisture content on the physical properties of coffee beans (robusta). IOSR J Agric Vet Sci 12: 1-13.

Osipova V, Polovinkina M, Gracheva Y, Shpakovsky D, Osipova A, Berberova N. 2021. Antioxidant activity of some organosulfur compounds in vitro. Arab J Chem 14: 103068. https://doi.org/10.1016/j.arabjc.2021.103068

Özyürek M, Güçlü K, Apak R. 2011. The main and modified CUPRAC methods of antioxidant measurement. TrAC-Trends Anal Chem 30: 652-664. https://doi.org/10.1016/j.trac.2010.11.016

Pellegrini N, Serafini M, Colombi B, Del Rio D, Salvatore S, Bianchi M, Brighenti F. 2003. Total antioxidant capacity of plant foods, beverages and oils consumed in Italy assessed by three different in vitro assays. J Nutr 133: 2812-2819. https://doi.org/10.1093/jn/133.9.2812

Pokorná J, Venskutonis PR, Kraujalyte V, Kraujalis P, Dvorák P, Tremlová B, Kopriva V, Oštádalová M. 2015. Comparison of different methods of antioxidant activity evaluation of green and roast C. Arabica and C. Robusta coffee beans. Acta Aliment 44: 454-460. https://doi.org/10.1556/066.2015.44.0017

Putri SP, Irifune T, Yusianto, Fukusaki E. 2019. GC/MS based metabolite profiling of Indonesian specialty coffee from different species and geographical origin. Metabolomics 15: 1-11. https://doi.org/10.1007/s11306-019-1591-5

Raba DN, Poiana M-A, Borozan AB, Stef M, Radu F, Popa MV. 2015. Investigation on crude and high-temperature heated coffee oil by ATR-FTIR spectroscopy along with antioxidant and antimicrobial properties. PLoS One 10: 1-20. https://doi.org/10.1371/journal.pone.0138080

Rodriguez YFB, Guzman NG, Hernandez JG. 2020. Effect of the postharvest processing method on the biochemical composition and sensory analysis of arabica coffee. Eng Agric 40: 177-183. https://doi.org/10.1590/1809-4430-eng.agric.v40n2p177-183/2020

Sahachairungrueng W, Meechan C, Veerachat N, Thompson AK, Teerachaichayut S. 2022. Assessing the levels of robusta and arabica in roasted ground coffee using NIR hyperspectral imaging and FTIR spectroscopy. Foods 11: 1-13. https://doi.org/10.3390/foods11193122

Saragih B, Rahmawati M, Ismanto A, Saragih FM. 2021. Profile of FTIR (Fourier Transform Infra Red) and comparison of antioxidant activity of coffee with tiwai (Eleutherine americana merr). Pap 6th Int Conf Food, Agric Nat Resour. 16: 27-31. https://doi.org/10.2991/absr.k.220101.005

Sasidharan S, Chen Y, Saravanan D, Sundram KM, Latha LY. 2011. Extraction, isolation and characterization of bioactive compounds from plants' extracts. Afr J Tradit Complement Altern Med 8: 93-130. https://doi.org/10.1007/978-3-642-56936-4_2

Sharifi B, Goli SAH, Maghsoudlou Y. 2017. Antioxidant activity and chemical composition of the methanolic extract and related fractions of Dracocephalum kotschyi leaves using liquid chromatography–tandem mass spectrometry. Ind Crops Prod 104: 111-119. https://doi.org/10.1016/j.indcrop.2017.04.030

Song JL, Asare TS, Kang MY, Lee SC. 2018. Changes in bioactive compounds and antioxidant capacity of coffee under different roasting conditions. Korean J Plant Resour 31: 704-713. https://doi.org/10.7732/kjpr.2018.31.6.704

Souard F, Delporte C, Stoffelen P, Thévenot EA, Noret N, Dauvergne B, Kauffmann JM, Van Antwerpen P, Stévigny C. 2019. Metabolomics fingerprint of coffee species determined by untargeted-profiling study using LC-HRMS. Food Chem 245: 603-612. https://doi.org/10.1016/j.foodchem.2017.10.022

Sulistyani M, Huda N. 2018. Perbandingan metode transmisi dan reflektansi pada pengukuran polistirena menggunakan instrumentasi spektroskopi fourier transform infrared. Indo J Chem Sci 7: 195-198.

Sunarharum WB, Farhan M. 2020. Effect of manual brewing techniques on the sensory profiles of arabica coffees (aceh gayo wine process and bali kintamani honey process). IOP Conf Ser Earth Environ Sci 454: 012099. https://doi.org/10.1088/1755-1315/454/1/012099

Teboukeu GB, Djikeng FT, Klang MJ, Karuna MSL, Womeni HM. 2018. Optimization of the extraction of natural antioxidants from Coffea robusta leaves and evaluation of their ability to preserve palm olein from oxidation during accelerated storage. Food Sci Nutr 6: 1751-1761. https://doi.org/10.1002/fsn3.702

Truong DH, Nguyen DH, Ta NTA, Bui AV, Do TH, Nguyen HC. 2019. Evaluation of the use of different solvents for phytochemical constituents, antioxidants, and in vitro anti-inflammatory activities of Severinia buxifolia. J Food Qual 2019: 8178294. https://doi.org/10.1155/2019/8178294

Vajargah KF, Mehdizadeh R, Sadeghi-Bazargani H. 2014. Applications of OPLS statistical method in medicine. J Math Comput Sci 8: 411-422. https://doi.org/10.22436/jmcs.08.04.09

Vignoli JA, Viegas MC, Bassoli DG, de Toledo Benassi M. 2014. Roasting process affects differently the bioactive compounds and the antioxidant activity of arabica and robusta coffees. Food Res Int 61: 279-285. https://doi.org/10.1016/j.foodres.2013.06.006

Wang N, Lim L-T. 2012. Fourier transform infrared and physicochemical analyses of roasted coffee. J Agric Food Chem 60: 5446-5453. https://doi.org/10.1021/jf300348e

Wonorahardjo S, Yuniawati N, Molo ADP, Rusdi HO, Purnomo H. 2019. Different Chemical Compound Profiles of Indonesian Coffee Beans as Studied Chromatography/Mass Spectrometry. IOP Conference Series: Earth and Environmental Science. 276: 012065. https://doi.org/10.1088/1755-1315/276/1/012065

Worley B, Powers R. 2013. Multivariate analysis in metabolomics. Curr Metabolomics 1: 92-107. https://doi.org/10.2174/2213235X11301010092

Worley B, Powers R. 2016. PCA as a practical indicator of OPLS-DA model reliability. Curr Metabolomics 4: 97-103. https://doi.org/10.2174/2213235X04666160613122429

Yashin A, Yashin Y, Xia X, Nemzer B. 2017. Antioxidant activity of spices and their impact on human health: A review. Antioxidants 6: 70. https://doi.org/10.3390/antiox6030070

Yuliana ND, Arifin AS, Rafi M. 2020. Multiple spectroscopic fingerprinting platforms for rapid characterization of α-glucosidase inhibitors and antioxidants from some commonly consumed Indonesian vegetables and spices. J Food Meas Charact 14: 1699-1707. https://doi.org/10.1007/s11694-020-00418-z

Yulianti Y, Andarwulan N, Adawiyah DR, Herawati D, Indrasti D. 2022. Physicochemical characteristics and bioactive compound profiles of Arabica Kalosi Enrekang with different postharvest processing. Food Sci Technol Campinas 42: 1-10. https://doi.org/10.1590/fst.67622

Zhang Q-W, Lin L-G, Ye W-C. 2018. Techniques for extraction and isolation of natural products: A comprehensive review. Chinese Med 13: 20. https://doi.org/10.1186/s13020-018-0177-x

Authors

Masjuwina Simatupang
Dian Herawati
dian@apps.ipb.ac.id (Primary Contact)
Nancy Dewi Yuliana
SimatupangM., HerawatiD., & YulianaN. D. (2023). Fingerprinting FTIR-ATR Fraksi Kopi Robusta dan Arabika serta Korelasinya terhadap Aktivitas Antioksidan. Jurnal Teknologi Dan Industri Pangan, 34(1), 70-85. https://doi.org/10.6066/jtip.2023.34.1.70
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