{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,10]],"date-time":"2026-04-10T21:05:33Z","timestamp":1775855133543,"version":"3.50.1"},"reference-count":33,"publisher":"MDPI AG","issue":"5","license":[{"start":{"date-parts":[[2023,2,27]],"date-time":"2023-02-27T00:00:00Z","timestamp":1677456000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Agriculture Victoria"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Sensors"],"abstract":"<jats:p>Cannabis is commercially cultivated for both therapeutic and recreational purposes in a growing number of jurisdictions. The main cannabinoids of interest are cannabidiol (CBD) and delta-9 tetrahydrocannabidiol (THC), which have applications in different therapeutic treatments. The rapid, nondestructive determination of cannabinoid levels has been achieved using near-infrared (NIR) spectroscopy coupled to high-quality compound reference data provided by liquid chromatography. However, most of the literature describes prediction models for the decarboxylated cannabinoids, e.g., THC and CBD, rather than naturally occurring analogues, tetrahydrocannabidiolic acid (THCA) and cannabidiolic acid (CBDA). The accurate prediction of these acidic cannabinoids has important implications for quality control for cultivators, manufacturers and regulatory bodies. Using high-quality liquid chromatography\u2013mass spectroscopy (LCMS) data and NIR spectra data, we developed statistical models including principal component analysis (PCA) for data quality control, partial least squares regression (PLS-R) models to predict cannabinoid concentrations for 14 different cannabinoids and partial least squares discriminant analysis (PLS-DA) models to characterise cannabis samples into high-CBDA, high-THCA and even-ratio classes. This analysis employed two spectrometers, a scientific grade benchtop instrument (Bruker MPA II\u2013Multi-Purpose FT-NIR Analyzer) and a handheld instrument (VIAVI MicroNIR Onsite-W). While the models from the benchtop instrument were generally more robust (99.4\u2013100% accuracy prediction), the handheld device also performed well (83.1\u2013100% accuracy prediction) with the added benefits of portability and speed. In addition, two cannabis inflorescence preparation methods were evaluated: finely ground and coarsely ground. The models generated from coarsely ground cannabis provided comparable predictions to that of the finely ground but represent significant timesaving in terms of sample preparation. This study demonstrates that a portable NIR handheld device paired with LCMS quantitative data can provide accurate cannabinoid predictions and potentially be of use for the rapid, high-throughput, nondestructive screening of cannabis material.<\/jats:p>","DOI":"10.3390\/s23052607","type":"journal-article","created":{"date-parts":[[2023,2,28]],"date-time":"2023-02-28T02:01:51Z","timestamp":1677549711000},"page":"2607","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":21,"title":["Developing Prediction Models Using Near-Infrared Spectroscopy to Quantify Cannabinoid Content in Cannabis Sativa"],"prefix":"10.3390","volume":"23","author":[{"given":"Jonathan","family":"Tran","sequence":"first","affiliation":[{"name":"Agriculture Victoria Research, AgriBio Centre, AgriBio, Melbourne, VIC 3083, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Simone","family":"Vassiliadis","sequence":"additional","affiliation":[{"name":"Agriculture Victoria Research, AgriBio Centre, AgriBio, Melbourne, VIC 3083, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Aaron C.","family":"Elkins","sequence":"additional","affiliation":[{"name":"Agriculture Victoria Research, AgriBio Centre, AgriBio, Melbourne, VIC 3083, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1074-8998","authenticated-orcid":false,"given":"Noel O. I.","family":"Cogan","sequence":"additional","affiliation":[{"name":"Agriculture Victoria Research, AgriBio Centre, AgriBio, Melbourne, VIC 3083, Australia"},{"name":"School of Applied Systems Biology, La Trobe University, Bundoora, VIC 3083, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8442-6081","authenticated-orcid":false,"given":"Simone J.","family":"Rochfort","sequence":"additional","affiliation":[{"name":"Agriculture Victoria Research, AgriBio Centre, AgriBio, Melbourne, VIC 3083, Australia"},{"name":"School of Applied Systems Biology, La Trobe University, Bundoora, VIC 3083, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2023,2,27]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1038\/363215a0","article-title":"Early medical use of cannabis","volume":"363","author":"Zias","year":"1993","journal-title":"Nature"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"E755","DOI":"10.36076\/ppj.20.5.E755","article-title":"Efficacy of Cannabis-Based Medicines for Pain Management: A Systematic Review and MetaAnalysis of Randomized Controlled Trials","volume":"6","author":"Aviram","year":"2017","journal-title":"Pain Physician"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"741","DOI":"10.1136\/jnnp-2017-317168","article-title":"Evidence for cannabis and cannabinoids for epilepsy: A systematic review of controlled and observational evidence","volume":"89","author":"Stockings","year":"2018","journal-title":"J. Neurol. Neurosurg. Psychiatry"},{"key":"ref_4","unstructured":"(2022, September 09). Guidance for the Use of Medicinal Cannabis in the Treatment of Multiple Scelrosis in Australia, Available online: https:\/\/www.tga.gov.au\/sites\/default\/files\/guidance-use-medicinal-cannabis-treatment-multiple-sclerosis-australia.pdf."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"995","DOI":"10.1016\/S2215-0366(19)30401-8","article-title":"Cannabinoids for the treatment of mental disorders and symptoms of mental disorders: A systematic review and meta-analysis","volume":"6","author":"Black","year":"2019","journal-title":"Lancet Psychiatry"},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"549","DOI":"10.1007\/s00011-020-01341-1","article-title":"The anti-inflammatory and analgesic effects of formulated full-spectrum cannabis extract in the treatment of neuropathic pain associated with multiple sclerosis","volume":"69","author":"Maayah","year":"2020","journal-title":"Inflamm. Res."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"109222","DOI":"10.1016\/j.neuropharm.2022.109222","article-title":"Cannabinoid modulation of brain activation during volitional regulation of negative affect in trauma-exposed adults","volume":"218","author":"Pacitto","year":"2022","journal-title":"Neuropharmacology"},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"2288","DOI":"10.3389\/fimmu.2019.02288","article-title":"Marijuana-Derived Cannabinoids Trigger a CB2\/PI3K Axis of Suppression of the Innate Response to Oral Pathogens","volume":"10","author":"Gu","year":"2019","journal-title":"Front. Immunol."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"4826","DOI":"10.1111\/bph.15661","article-title":"Cannabigerolic acid, a major biosynthetic precursor molecule in cannabis, exhibits divergent effects on seizures in mouse models of epilepsy","volume":"178","author":"Anderson","year":"2021","journal-title":"Br. J. Pharmacol"},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"1629","DOI":"10.1111\/j.1476-5381.2012.02207.x","article-title":"Cannabidivarin is anticonvulsant in mouse and rat","volume":"167","author":"Hill","year":"2012","journal-title":"Br. J. Pharmacol"},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"204","DOI":"10.1124\/jpet.120.000340","article-title":"The Pharmacological Case for Cannabigerol","volume":"376","author":"Nachnani","year":"2021","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"1154","DOI":"10.1111\/j.1476-5381.2008.00107.x","article-title":"Synthetic and plant-derived cannabinoid receptor antagonists show hypophagic properties in fasted and non-fasted mice","volume":"156","author":"Riedel","year":"2009","journal-title":"Br. J. Pharmacol."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"e68","DOI":"10.1038\/nutd.2013.9","article-title":"The cannabinoid Delta(9)-tetrahydrocannabivarin (THCV) ameliorates insulin sensitivity in two mouse models of obesity","volume":"3","author":"Wargent","year":"2013","journal-title":"Nutr. Diabetes"},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"1375","DOI":"10.1124\/jpet.106.105247","article-title":"Antitumor activity of plant cannabinoids with emphasis on the effect of cannabidiol on human breast carcinoma","volume":"318","author":"Ligresti","year":"2006","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"330","DOI":"10.1021\/acschemneuro.0c00677","article-title":"Cannabichromene, Related Phytocannabinoids, and 5-Fluoro-cannabichromene Have Anticonvulsant Properties in a Mouse Model of Dravet Syndrome","volume":"12","author":"Anderson","year":"2021","journal-title":"ACS Chem. Neurosci."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"76","DOI":"10.1016\/j.jchromb.2019.01.027","article-title":"Development of a validated method for the qualitative and quantitative analysis of cannabinoids in plant biomass and medicinal cannabis resin extracts obtained by super-critical fluid extraction","volume":"1109","author":"Elkins","year":"2019","journal-title":"J. Chromatogr. B Analyt. Technol. Biomed. Life Sci."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"113445","DOI":"10.1016\/j.phytochem.2022.113445","article-title":"Use of near-infrared spectroscopy for the classification of medicinal cannabis cultivars and the prediction of their cannabinoid and terpene contents","volume":"204","author":"Birenboim","year":"2022","journal-title":"Phytochemistry"},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"115007","DOI":"10.1016\/j.indcrop.2022.115007","article-title":"NIR spectroscopy for rapid measurement of moisture and cannabinoid contents of industrial hemp (Cannabis sativa)","volume":"184","author":"Su","year":"2022","journal-title":"Ind. Crops Prod."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"123559","DOI":"10.1016\/j.talanta.2022.123559","article-title":"A novel handheld FT-NIR spectroscopic approach for real-time screening of major cannabinoids content in hemp","volume":"247","author":"Yao","year":"2022","journal-title":"Talanta"},{"key":"ref_20","doi-asserted-by":"crossref","unstructured":"Jar\u00e9n, C., Zambrana, P.C., P\u00e9rez-Roncal, C., L\u00f3pez-Maestresalas, A., \u00c1brego, A., and Arazuri, S. (2022). Potential of NIRS Technology for the Determination of Cannabinoid Content in Industrial Hemp (Cannabis sativa L.). Agronomy, 12.","DOI":"10.3390\/agronomy12040938"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"114150","DOI":"10.1016\/j.jpba.2021.114150","article-title":"New perspective for the in-field analysis of cannabis samples using handheld near-infrared spectroscopy: A case study focusing on the determination of Delta(9)-tetrahydrocannabinol","volume":"202","author":"Deidda","year":"2021","journal-title":"J. Pharm. Biomed. Anal."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"147","DOI":"10.1016\/j.talanta.2018.07.085","article-title":"The potential of near infrared spectroscopy to estimate the content of cannabinoids in Cannabis sativa L.: A comparative study","volume":"190","author":"Casano","year":"2018","journal-title":"Talanta"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"3715","DOI":"10.1093\/jxb\/erp210","article-title":"Identification of candidate genes affecting Delta9-tetrahydrocannabinol biosynthesis in Cannabis sativa","volume":"60","author":"Marks","year":"2009","journal-title":"J. Exp. Bot."},{"key":"ref_24","doi-asserted-by":"crossref","unstructured":"Naim-Feil, E., Pembleton, L.W., Spooner, L.E., Malthouse, A.L., Miner, A., Quinn, M., Polotnianka, R.M., Baillie, R.C., Spangenberg, G.C., and Cogan, N.O.I. (2021). The characterization of key physiological traits of medicinal cannabis (Cannabis sativa L.) as a tool for precision breeding. BMC Plant Biol., 21.","DOI":"10.1186\/s12870-021-03079-2"},{"key":"ref_25","unstructured":"Gallagher, N.B., and O\u2019Sulliva, D. (2022, September 09). Selection of Representative Learning and Test Sets Using the Onion Method. Available online: https:\/\/eigenvector.com\/wp-content\/uploads\/2020\/01\/Onion_SampleSelection.pdf."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"644","DOI":"10.1039\/C5AY02526E","article-title":"A rapid and non-invasive method for the classification of natural tannin extracts by near-infrared spectroscopy and PLS-DA","volume":"8","author":"Grasel","year":"2016","journal-title":"Anal. Methods"},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"1309","DOI":"10.1002\/dta.2865","article-title":"Discrimination of legal and illegal Cannabis spp. according to European legislation using near infrared spectroscopy and chemometrics","volume":"12","author":"Duchateau","year":"2020","journal-title":"Drug Test. Anal."},{"key":"ref_28","doi-asserted-by":"crossref","unstructured":"Williams, P., Manley, M., and Antoniszyn, J. (2019). Near-Infrared Technology: Getting the Best Out of Light, African Sun Media, The Woodmill. [1st ed.].","DOI":"10.18820\/9781928480310"},{"key":"ref_29","first-page":"14","article-title":"Why you don\u2019t need to use RPD","volume":"33","author":"Minansy","year":"2013","journal-title":"Pedometron"},{"key":"ref_30","doi-asserted-by":"crossref","unstructured":"Garcia Martin, J.F. (2022). Potential of Near-Infrared Spectroscopy for the Determination of Olive Oil Quality. Sensors, 22.","DOI":"10.3390\/s22082831"},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1089\/can.2021.0004","article-title":"Kinetics of CBD, Delta(9)-THC Degradation and Cannabinol Formation in Cannabis Resin at Various Temperature and pH Conditions","volume":"7","author":"Jaidee","year":"2022","journal-title":"Cannabis Cannabinoid Res."},{"key":"ref_32","first-page":"293","article-title":"Long term storage and cannabis oil stability","volume":"63","author":"Trofin","year":"2012","journal-title":"Rev. Chim."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"113215","DOI":"10.1016\/j.phytochem.2022.113215","article-title":"Multivariate classification of cannabis chemovars based on their terpene and cannabinoid profiles","volume":"200","author":"Birenboim","year":"2022","journal-title":"Phytochemistry"}],"container-title":["Sensors"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1424-8220\/23\/5\/2607\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T18:43:46Z","timestamp":1760121826000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1424-8220\/23\/5\/2607"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,2,27]]},"references-count":33,"journal-issue":{"issue":"5","published-online":{"date-parts":[[2023,3]]}},"alternative-id":["s23052607"],"URL":"https:\/\/doi.org\/10.3390\/s23052607","relation":{},"ISSN":["1424-8220"],"issn-type":[{"value":"1424-8220","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,2,27]]}}}