Chemometrics-assisted fingerprinting profiling of Mangosteen extracts from Sulawesi island using Fourier Transform Infrared (FTIR) Spectroscopy

Abstract

Applying chemometrics in analyzing the chemical data from natural materials is very important for understanding the complex data of herbal raw materials. This study aims to apply chemometric principal component analysis (PCA) and cluster analysis (CA) techniques to know the fingerprint profiling of 20 types of ethanolic extract of Mangosteen obtained from different area in Sulawesi Island, Indonesia. The extraction uses variations for solvent kinds (70% and 96% ethanol) with maceration techniques and fruit parts (pericarp and seed) representing plant parts from Sulawesi Island. All extracts were analyzed using FTIR spectroscopy at wavenumbers of 4000-400 cm-1, and the obtained FTIR spectra were analyzed using chemometric or multivariate data analysis. The results showed that some peaks were identified as markers for mangosteen extracts, namely at wavenumbers of 3414 cm-1 (O-H stretching), 2961 cm-1 (CH3 asymmetrical stretching), 2922 cm-1 (CH2 asymmetrical stretching), 2859 cm-1 (CH2 symmetrical stretching), 1724 cm-1 (C=O stretching), 1643 (hydrogen bonded), 1611 cm-1 (carboxyl groups), 1582 cm-1 (C=C stretching), 1458 cm-1 (CH2 bending), and 1283 cm-1 (O-H). PCA using the first principle component (PC1) and second principle components accounting of 85.8% variations could differentiate Mangosteen extracts with different area. Furthermore, CA could classify the samples of Mangosteen extracts into 4 clusters with a similarity percentages of 25.65%-99.99%. It can be concluded that chemometric-assisted fingerprinting profiles using variable of FTIR spectral absorbance values can distinguish variations in mangosteen extract according to the type of solvent and the fruit part according to Sulawesi Island origin.

Keywords

• Chemometrics
• Fingerprinting profiling
• Mangosteen
• Multivariate data analysis
• Spectroscopy

References

1. [1] Cheok CY, Adzahan NM, Rahman RA, Abedin NHZ, Hussain N, Sulaiman R, Chong GH. Current trends of tropical fruit waste utilization. Crit Rev Food Sci Nutr. 2018; 58(3): 335-361. https://doi.org/10.1080/10408398.2016.1176009
2. [2] Tejamukti EP, Setyaningsih W, Yasir B, Alam G, Rohman A. Application of FTIR spectroscopy and HPLC combined with multivariate calibration for analysis of xanthones in mangosteen extracts. Sci Pharm. 2020; 88(3): 35. https://doi.org/10.3390/scipharm88030035.
3. [3] Xu D, Li Z, Guo M, Jiang B, Zhang E, Zheng X. Quantitative determination and fingerprint of phenolic compounds with anti-inflammatory activities for the quality control of mangosteen extract. Preprints. 2022; 2022010405. https://doi.org/10.20944/preprints202201.0405.v1.
4. [4] Ibrahim SR, El-Agamy DS, Abdallah HM, Ahmed N, Elkablawy MA, Mohamed GA. Protective activity of tovophyllin A, a xanthone isolated from Garcinia mangostana pericarps, against acetaminophen-induced liver damage: role of Nrf2 activation. Food Funct. 2018; 9: 3291-3300. https://doi.org/10.1039/c8fo00378e
5. [5] Saraswathy SUP, Lalitha LCP, Rahim S, Gopinath C, Haleema S, SarojiniAmma S, Aboul-Enein HY. A review on synthetic and pharmacological potential of compounds isolated from Garcinia mangostana Linn. Phytomedicine Plus. 2022; 2(2): 100253. https://doi.org/10.1016/j.phyplu.2022.100253.
6. [6] Rivero B, Garibay I. Development and validation of a stability-indicating HPLC method for the quantification of α mangostin in dietary supplements. Nat Prod Commun. 2019; 14: 1934578X19863948. https://doi.org/10.1177/1934578X19863948
7. [7] Eisvand F, Imenshahidi M, Rahbardar MG, Yazdi SAT, Rameshrad M, Razavi BM, Hosseinzadeh H. Cardioprotective effects of alpha‐mangostin on doxorubicin‐induced cardiotoxicity in rats. Phytother Res. 2022; 36: 506-524. https://doi.org/10.1002/ptr.7356
8. [8] Huang LT, Kuo CH, Tseng L, Li YS, Cheng LH, Cheng CY, Sheu SR, Chang WT, Chen CC, Cheng HC. Alpha mangostin reduces pericellular fibronectin on suspended tumor cells and therapeutically, but not prophylactically, suppresses distant metastasis. Life. 2022; 12: 1375. https://doi.org/10.3390/life12091375

9. [9] Herdiana Y, Wathoni N, Shamsuddin S, Muchtaridi M. Cytotoxicity enhancement in MCF-7 breast cancer cells with depolymerized chitosan delivery of α-Mangostin. Polymers. 2022; 14: 3139. https://doi.org/10.3390/polym14153139
10. [10] Leelapornpisid W. Efficacy of alpha-mangostin for antimicrobial activity against endodontopathogenic microorganisms in a multi-species bacterial-fungal biofilm model. Arch Oral Biol. 2022; 133: 105304. https://doi.org/10.1016/j.archoralbio.2021.105304
11. [11] Djeujo FM, Francesconi V, Gonella M, Ragazzi E, Tonelli M, Froldi G. Anti-α-glucosidase and antiglycation activities of α-mangostin and new xanthenone derivatives: Enzymatic kinetics and mechanistic ınsights through ın vitro studies. Molecules. 2022; 27: 547. https://doi.org/10.3390/molecules27020547.
12. [12] Tangsuksan P, Srichana T, Kettratad M, Nittayananta W. Antimicrobial and anti-inflammatory effects of α mangostin soluble film. J Int Soc Prev Community Dent. 2022; 12: 189. https://doi.org/10.4103/jispcd.JISPCD_222_21.
13. [13] Chen JY, Zhu Q, Cai CZ, Luo HB, Lu JH. α-mangostin derivative 4e as a PDE4 inhibitor promote proteasomal degradation of alpha-synuclein in Parkinson's disease models through PKA activation. Phytomedicine. 2022; 101: 154125. https://doi.org/10.1016/j.phymed.2022.154125
14. [14] Luo M, Liu Q, He M, Yu Z, Pi R, Li M, Yang X, Wang S, Liu, A. Gartanin induces cell cycle arrest and autophagy and suppresses migration involving PI3K/Akt/mTOR and MAPK signalling pathway in human glioma cells. J Cell Mol Med. 2017; 21: 46-57. https://doi.org/10.1111/jcmm.12937.
15. [15] Tao J, Ai H. Metabolism of gartanin in liver microsomes and its modulating effects on cytochrome P450s. Xenobiotica. 2022; 52: 1-11. https://doi.org/10.1080/00498254.2022.2076631
16. [16] Rohman A, Nugroho A, Lukitaningsih E, Sudjadi. Application of vibrational spectroscopy in combination with chemometrics techniques for authentication of herbal medicine. Appl Spectrosc Rev. 2014; 49(8):603-613. https://doi.org/10.1080/05704928.2014.882347.
17. [17] Nurani LH, Rohman A, Windarsih A, Guntarti A, Dika F, Riswanto O, Lukitaningsih E, Fadzillah NA, Rafi M. Metabolite fingerprinting using 1H-NMR spectroscopy and chemometrics for classification of three Curcuma species from different origins. Molecules. 2021; 26(24): 7626. https://doi.org/10.3390/molecules26247626
18. [18] Simaremare ES, Susilowati RA, Astuti YD, Hermawan R, Gunawan E, Pratiwi RD, Rusnaeni. Analysis of acetaminophen, mefenamic acid, sibutramine hydrochloride, and sildenafil citrate. J Appl Pharm Sci. 2018; 8(11): 48–56. https://doi.org/10.7324/JAPS.2018.81107
19. [19] Seo, C. S., Shin, H. K. Liquid chromatography tandem mass spectrometry for the simultaneous quantification of eleven phytochemical constituents in traditional korean medicine, sogunjung decoction. Processes. 2021; 9(1): 1–10. https://doi.org/10.3390/pr9010153.
20. [20] Rohman A, Rawar EA, Sudevi S, Nurrulhidayah AF, Windarsih A. The use of chemometrics in combination with molecular spectroscopic and chromatographic methods for authentication of curcuma species: A review. Food Res. 2020; 4(6): 1850–1858. https://doi.org/10.26656/fr.2017.4(6).345.
21. [21] Rohman A, Arifah FH, Alam G, Muchtaridi M. The application of FTIR spectroscopy and chemometrics for classification of mangosteen extract and its correlation with alpha-mangostin. J Appl Pharm Sci. 2020; 10: 154. https://dx.doi.org/10.7324/JAPS.2020.104019.
22. [22] Yasir B, Purwaningsih D, Rumata NR, Wahyuddin N, Azwar ARM, Hikmah N, Rahman NF. Application chemometrics-assisted fingerprinting profiling of extract variation from Mangosteen (Garcinia mangostana L.) using FTIR Method. J Pharm Med Sci. 2022; 6: 50-53. http://doi.org/10.32814/jpms.v6i2.134
23. [23] Muchtaridi M, Rimadani P, Gemini A, Abdul R. Analysis of gartanin in extract of mangosteen pericarp fruit (Garcinia mangostana L.) using spectrophotometric Fourier Transform Infrared (FTIR) method. Rasāyan J Chem. 2019; 12: 874-879.