Rapid and Non-Destructive Analysis of Plant Material Using FTIR and Chemometric Methods

Bunga Indra Salsabilla, Muchtaridi Muchtaridi, Sandra Megantara, Dhania Novitasari, Ida Musfiroh

Abstrak


Plant material analysis requires efficient, reliable, and sustainable methods for characterization, authentication, and quality control. Fourier Transform Infrared Spectroscopy (FTIR), combined with chemometrics, has emerged as a non-destructive approach that requires minimal sample preparation. This review summarizes developments and applications of FTIR chemometrics in plant analysis from 2015 to 2025, based on more than 32 published studies. The evolution of data analysis is described from classical techniques, including Principal Component Analysis and Partial Least Squares, to machine learning methods such as Support Vector Machines and Random Forests. Various FTIR modes, namely ATR FTIR, DRIFTS, and FTIR PAS, are discussed for analyses of leaves, roots, rhizomes, flowers, fruits, and fossilized plant materials. Reported applications include species identification with accuracies approaching 100%, geographic origin authentication with 77-94% accuracy, detection of adulteration in high-value commodities such as saffron, quantification of bioactive constituents with determination coefficients of 0.96-0.99, and assessment of environmental or agronomic influences on plant composition. Although challenges remain, particularly matrix complexity and calibration transfer, FTIR chemometrics represents a sustainable, rapid, and cost-effective tool for research and industrial quality control. Future directions emphasize the global integration of artificial intelligence and instrument miniaturization.


Kata Kunci


Authentication; Chemometrics; FTIR Spectroscopy; Machine Learning; Plant Analysis; Quality Control

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Referensi


Chaachouay N, Zidane L. Plant-derived natural products: A source for drug discovery and development. Drugs and Drug Candidates. 2024 Feb;3(1):184–207.

Shahid A, Fatima A, Rafique S, Bibi S, Shah NA. Use of plants in the drug industry with a focus on emerging techniques and trends. Recent Advances in Industrial Biochemistry. 2024;113–28.

Hasan N, Laskar RA, Farooqui SA, Naaz N, Sharma N, Budakoti M, et al. Genetic Improvement of Medicinal and Aromatic Plant Species: Breeding Techniques, Conservative Practices and Future Prospects. Crop Design. 2024

Fitzgerald M, Heinrich M, Booker A. Medicinal plant analysis: A historical and regional discussion of emergent complex techniques. Front Pharmacol. 2020;10:1480.

Salem MA, Perez de Souza L, Serag A, Fernie AR, Farag MA, Ezzat SM, et al. Metabolomics in the context of plant natural products research: From sample preparation to metabolite analysis. Metabolites. 2020;10(1):37.

Biondi F, Balducci F, Capocasa F, Visciglio M, Mei E, Vagnoni M, et al. Environmental conditions and agronomical factors influencing the levels of phytochemicals in Brassica vegetables responsible for nutritional and sensorial properties. Appl Sci (Basel). 2021;11(4)

Sabindo NH, Yatim RM, Kannan Thirumulu P. Phytochemical composition of Clinacanthus nutans based on factors of environment, genetics and postharvest processes: A review. Biomedicine (Taipei). 2024;14(2):1–11

Gajic I, Kabic J, Kekic D, Jovicevic M, Milenkovic M, Mitic Culafic D, et al. Antimicrobial susceptibility testing: A comprehensive review of currently used methods. Antibiotics (Basel). 2022;11(4):427

Mungwari CP, King’ondu CK, Sigauke P, Obadele BA. Conventional and modern techniques for bioactive compounds recovery from plants: Review. Sci Afr. 2025;27

Al-Kelani M, Buthelezi N. Advancements in medical research: Exploring Fourier Transform Infrared (FTIR) spectroscopy for tissue, cell, and hair sample analysis. Skin research and technology. 2024;30(6)

Salamah N. Identify the purity of sesame oil from sesame seeds (Sesamum indicum L.) and analysis using the ATR-FTIR method. Indones J Pharm Sci Technol. 2024 Nov;11(3):382–92.

Durak T, Depciuch J. Effect of plant sample preparation and measuring methods on ATR-FTIR spectra results. Environ Exp Bot. 2020;169

Cherniienko A, Lesyk R, Zaprutko L, Pawełczyk A. IR-EcoSpectra: Exploring sustainable ex situ and in situ FTIR applications for green chemical and pharmaceutical analysis. J Pharm Anal. 2024;14(9)

Wongsa P, Phatikulrungsun P, Prathumthong S. FT-IR characteristics, phenolic profiles and inhibitory potential against digestive enzymes of 25 herbal infusions. Sci Rep. 2022;12(1)

Derksen GCH, Blommaert L, Bastiaens L, Hasşerbetçi C, Fremouw R, van Groenigen J, et al. ATR-FTIR spectroscopy combined with multivariate analysis as a rapid tool to infer the biochemical composition of Ulva laetevirens (Chlorophyta). Front Mar Sci. 2023;10

Wirasuta IMAG, Dewi CITR, Laksmiani NPL, Srinadi IGAM, Putra DP. The prediction of curcumin content in the turmeric rhizome with Raman handheld spectroscopy. Indones J Pharm Sci Technol. 2018 Oct;5(3):88

Guntarti A, Pratiwi HK, Nurani LH, Gandjar IG. Authentication of lemongrass oil by gas chromatography-mass spectroscopy (GC-MS) combination chemometrics. Indones J Pharm Sci Technol. 2022 Dec;9(3):174.

Oliveri P. Class-modelling in food analytical chemistry: Development, sampling, optimisation and validation issues – A tutorial. Anal Chim Acta. 2017;982:9–19

Yu F, Wei C, Deng P, Peng T, Hu X. Deep exploration of random forest model boosts the interpretability of machine learning studies of complicated immune responses and lung burden of nanoparticles. Sci Adv. 2021;7(22)

Ahmad Supian FN, Osman NI. Phytochemical and pharmacological activities of natural dye plant, Lawsonia inermis L. (henna). J Young Pharm. 2023 Apr;15(2):201–11.

Tew WY, Ying C, Wujun Z, Baocai L, Yoon TL, Yam MF, et al. Application of FT-IR spectroscopy and chemometric technique for the identification of three different parts of Camellia nitidissima and discrimination of its authenticated product. Front Pharmacol. 2022;13

Gaube P, Marchenko P, Müller C, Schweiger R, Tenhaken R, Keller A, et al. Inter- and intraspecific phytochemical variation correlate with epiphytic flower and leaf bacterial communities. Environ Microbiol. 2023;25(9):1624–43

Rodrigues PM, Sousa C. Machine learning-based spectral analyses for Camellia japonica cultivar identification. Molecules. 2025;30(3).

Dutra LM, Teles PHV, De Melo NF, Nagata N, Almeida ARG da S. ATR-FTIR spectroscopy combined with chemometric tools for rapid distinction of Passiflora species. Rev Bras Plantas Med. 2024;25(2):54–62.

Álvarez Á, Yáñez J, Neira Y, Castillo-Felices R, Hinrichsen P. Simple distinction of grapevine (Vitis vinifera L.) genotypes by direct ATR-FTIR. Food Chem. 2020;328

Holden CA, McAinsh M, Taylor JE, Beckett P, Martin FL. Attenuated total reflection Fourier-transform infrared spectroscopy reveals environment specific phenotypes in clonal Japanese knotweed. BMC Plant Biol. 2024;24(1):769.

Sanchez P, Pauli E, Scheel G, Rakocevic M, Bruns R, Scarminio I. Irrigation and light access effects on Coffea arabica L. leaves by FTIR chemometric analysis. J Braz Chem Soc. 2017

Wulandari L, Siswanti R, Nugraha AS. Determination of total phenolic content and classification model of local variety soursop (Annona muricata L.) leaf powder in different altitudes using NIR and FTIR spectroscopy coupled with chemometrics, Indones. J Pharm. 2019;30(1):7–14.

Yazıcı H, Çolak S, Duran U. Investigation geographic origin of Laurus nobilis L. leaves using FTIR, SEM-EDX, and XRD analysis. Spectroscopy Letters. 2025;58(2):149–60.

Wan-Azemin A, Suryati Mohd K, Rao U.S. M, Sasidharan S, Dharmaraj S. Chemometric analysis of Attenuated Total Reflection-Fourier Transform Infrared (ATR-FTIR) Spectra for geographical authentication of Melastoma malabathricum. Res J Pharm Technol. 2024;3769–76.

Liu X, Huang J, Li W, Chen R, Cao L, Pan T, et al. Fast quality assessment and origin identification of Gentianae macrophyllae Radix using fourier transform infrared photoacoustic spectroscopy coupled with chemometrics. J Pharm Biomed Anal. 2025;259

Ji Z, Liu H, Li J, Wang Y. ATR-FTIR as a green tool for rapid identity authentication of Gastrodia elata Blume under the influence of multi-biological variability. Vib Spectrosc. 2025;136

Rohman A, . S, . D, Ramadhani Dwiky and Nugroho A. Analysis of Curcumin in Curcuma longa and Curcuma xanthorriza Using FTIR Spectroscopy and Chemometrics. Res J Med Plant. 2015 Apr;9(4):179–86.

Adiani V, Gupta S, S.Variyar P. FTIR-based rapid microbial quality estimation of fresh-cut jackfruit (Artocarpus heterophyllus) bulbs. Journal of Food Measurement & Characterization. 2022

Hssaini L, Ouaabou R, Razouk R, Charafi J, Hanine H, Houmanat K, et al. ATR--FTIR spectroscopy combined with the invitro antioxidant activity and chromaticity for rapid discrimination of fig (Ficus carica L.) cultivars. J Anal Test. 2021;5:270–85.

Petrakis EA, Polissiou MG. Assessing saffron (Crocus sativus L.) adulteration with plant-derived adulterants by diffuse reflectance infrared Fourier transform spectroscopy coupled with chemometrics. Talanta. 2017;162:558–66

Tiernan H, Byrne B, Kazarian SG. ATR-FTIR spectroscopy and spectroscopic imaging for the analysis of biopharmaceuticals. Spectrochim Acta A Mol Biomol Spectrosc. 2020;241(118636)

van Haaren C, De Bock M, Kazarian SG. Advances in ATR-FTIR spectroscopic imaging for the analysis of tablet dissolution and drug release. Molecules. 2023;28(12).

Susanna D, Balakrishnan RM, Ponnan Ettiyappan J. Comprehensive insight into the extract optimization, phytochemical profiling, and biological evaluation of the medicinal plant Nothapodytes foetida. Biocatal Agric Biotechnol. 2022;42

Mulaudzi N, Rasealoka L, Maano G, Mohlapi T, Moshidi P, Mohlabe N. HPTLC Profiling, Quality Control and FTIR Coupled with Chemometrics Analysis for Securidaca longipenduculata Fresen. Analytical and Bioanalytical Chemistry Research. 2024;11(2):191–9

Bhardwaj D, Kaushik N. HPLC-DAD fingerprinting coupled with chemometric analysis can successfully differentiate Indian Berberis species and its plant parts. 3 Biotech. 2023 Jun;13(7):254.

El Zein AK, de Fátima Cobre A, Luna Lazo RE, Antunes KA, Manfron J, Ferreira LM, et al. Identification of Monteverdia ilicifolia by fourier-transform mid-infrared spectroscopy associated with chemometrics and machine learning. Chemometrics and Intelligent Laboratory Systems. 2025;263

Triawan DA, Nurwidiyani R, Adfa M. The performance of FTIR and UV-Vis spectroscopy combined with chemometrics to classify Impatiens balsamina L. leaf extracts from different solvent extraction. Vegetos. 2025

Minh TN, Van Thinh P, Anh HLT, Anh LV, Khanh NH, Van Nhan L, et al. Chemometric classification of Vietnamese green tea (Camellia sinensis) varieties and origins using elemental profiling and FTIR spectroscopy. Int J Food Sci Technol. 2024

Giorgini E, Notarstefano V, Foligni R, Carloni P, Damiani E. First ATR-FTIR characterization of black, green and white teas (Camellia sinensis) from European tea gardens: A PCA analysis to differentiate leaves from the in-cup infusion. Foods. 2023 Dec;13(1).

Adfa M, Erliana D, Wiradimafan K, Triawan DA, Yudha S. S, Avidlyandi A, et al. Application of FTIR spectroscopy and chemometric to differentiate Azadirachta excelsa (Jack.) Jacobs leaves extracts based on solvent polarity and assessment of antibacterial activity. Molekul. 2024 Jul;19(2):309.

Kritsi E, Paris C, Michael M, Georgia L, Sotirios M. B, Konstantinos T, et al. A Comparative Study of the Molecular Constituent Profile Among Brussels Sprout Leaf Layers by Mid-Infrared Spectroscopy and Chemometrics. Anal Lett. 2024;1–14

Maulidya V, Hasanah AN, Rijai L, Muchtaridi M. Quality control and authentication of black betel leaf extract (Piper acre Blume) from East Kalimantan as an antimicrobial agent using a combination of high-performance liquid chromatography and chemometric Fourier transform infrared. Molecules. 2023 Jul;28(15).

Yousefbeyk F, Ebrahimi-Najafabadi H, Dabirian S, Salimi S, Baniardalani F, Azmian Moghadam F, et al. Phytochemical Analysis and Antioxidant Activity of Eight Cultivars of Tea (Camellia sinensis) and Rapid Discrimination with FTIR Spectroscopy and Pattern Recognition Techniques. Pharm Sci. 2023;29(1):100–10

Khan AL, Al-Harrasi A, Numan M, AbdulKareem NM, Mabood F, Al-Rawahi A. Spectroscopic and molecular methods to differentiate gender in immature date palm (Phoenix dactylifera L.). Plants. 2021 Mar;10(3):536.

Conrad A, Villari C, Sherwood P, Bonello P (enrico). Phenotyping Austrian pine for resistance using Fourier-transform infrared spectroscopy. Arboric Urban For. 2020 Jul;46(4):276–86.

Rifai Y, Mukhriani, Djabir YY, Alam G. Chemometric Analysis of Arbutin Derivatives from Paederia foetida and Vitis vinifera with Fourier Transform Infrared (FTIR). Pharmacogn J. 2020 May;12(3):436–41.

Rodrigues VH, de Melo MMR, Portugal I, Silva CM. Extraction of Eucalyptus leaves using solvents of distinct polarity. Cluster analysis and extracts characterization. J Supercrit Fluids. 2018;135:263–74

Saidan NH, Hamil MSR, Memon AH, Abdelbari MM, Hamdan MR, Mohd KS, et al. Selected metabolites profiling of Orthosiphon stamineus Benth leaves extracts combined with chemometrics analysis and correlation with biological activities. BMC Complement Altern Med. 2015 Oct;15(1):350.

Macchioni V, Picchi V, Carbone K. Hop leaves as an alternative source of health-active compounds: Effect of genotype and drying conditions. Plants. 2021 Dec;11(1):99.

Rébufa C, Dupuy N, Bombarda I. AComDim, a multivariate tool to highlighting impact of agroclimatic factors on Moringa oleifera Lam. leaf’s composition from their FTIR-ATR profiles. Vib Spectrosc. 2021;116

Shiyan S, Lt JN, Safitri Indah Nur and Wahyudatama T, Ramadhan, Qurniasi E. FTIR-ATR based fingerprinting and chemometrics analysis of metabolites profile of Phyllanthus niruri L. affected by fertilization with NPK-chitosan nanopolymer and harvesting age. Herb Pol. 2022 Jun;68(2):15–23.

Zahra S. M, Susilawati Y, Musfiroh I. Differentiation roselle (Hibiscus sabdariffa L.) extract from various plants with FTIR-chemometric method. Res J Pharm Technol. 2022 Feb;878–84.

Li Y, Yang Y, Gu D, Cheng Y, Lv X, Huang Y, et al. Investigation of the impact of diverse climate conditions on the cultivation suitability of Cinnamomum cassia using the MaxEnt model, HPLC and chemometric methods in China. Sci Rep. 2024 Oct;14(1):25686.

Naim N, Ennahli N, Hanine H, Lahlali R, Tahiri A, Fauconnier ML, et al. ATR-FTIR spectroscopy combined with DNA barcoding and GC-MS to assess the quality and purity of saffron (Crocus sativus L.). Vib Spectrosc. 2022;123

Bekiaris G, Bruun S, Peltre C, Houot S, Jensen LS. FTIR-PAS: a powerful tool for characterising the chemical composition and predicting the labile C fraction of various organic waste products. Waste Manag. 2015;39:45–56

Krijnen K, Blenkinsopp P, Heeren RMA, Anthony IGM. Processing next-generation mass spectrometry imaging data: Principal component analysis at scale. J Am Soc Mass Spectrom. 2024;35(12):3063–9

Mouhamed AA, Nadim AH, Mostafa NM, Eltanany BM. Application of smart chemometric models for spectra resolution and determination of challenging multi-action quaternary mixture: statistical comparison with greenness assessment. BMC Chem. 2024;18(1):44

Caesar LK, Kvalheim OM, Cech NB. Hierarchical cluster analysis of technical replicates to identify interferents in untargeted mass spectrometry metabolomics. Anal Chim Acta . 2018;1021:69–77

Karim MR, Beyan O, Zappa A, Costa IG, Rebholz-Schuhmann D, Cochez M, et al. Deep learning-based clustering approaches for bioinformatics. Brief Bioinform. 2021;22(1):393–415

Liu C, Zhang X, Nguyen TT, Liu J, Wu T, Lee E, et al. Partial least squares regression and principal component analysis: similarity and differences between two popular variable reduction approaches. Gen Psychiatr. 2022;35(1)

Zhao Y, Zhang J, Jin H, Zhang J, Shen T, Wang Y. Discrimination of Gentiana rigescens from different origins by Fourier transform infrared spectroscopy combined with chemometric methods. J AOAC Int. 2015;98(1):22–6

Yousefbeyk F, Ebrahimi-Najafabadi H, Dabirian S, Salimi S, Baniardalani F, Ghasemi S. Phytochemical analysis and antioxidant activity of eight cultivars of tea (Camellia sinensis) and rapid discrimination with FTIR spectroscopy and pattern recognition techniques. Pharmaceutical sciences. 2022

Ciocan AG, Tecuceanu V, Enache-Preoteasa C, Mitoi EM, Helepciuc FE, Dimov TV, et al. Phenological and environmental factors’ impact on secondary metabolites in medicinal plant Cotinus coggygria Scop. Plants. 2023 Apr;12(9).




DOI: https://doi.org/10.24198/ijpst.v13i1.63950

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