{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T04:42:38Z","timestamp":1787028158603,"version":"build-2736575974"},"reference-count":62,"publisher":"MDPI AG","issue":"11","license":[{"start":{"date-parts":[[2021,11,10]],"date-time":"2021-11-10T00:00:00Z","timestamp":1636502400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Foods"],"abstract":"<jats:p>There are no known physiological-based digestion models that depict glucoraphanin (GR) to sulforaphane (SR) conversion and subsequent absorption. The aim of this research was to make a physiological-based digestion model that includes SR formation, both by endogenous myrosinase and gut bacterial enzymes, and to simulate the SR bioavailability. An 18-compartment model (mouth, two stomach, seven small intestine, seven large intestine, and blood compartments) describing transit, reactions and absorption was made. The model, consisting of differential equations, was fit to data from a human intervention study using Mathwork\u2019s Simulink and Matlab software. SR urine metabolite data from participants who consumed different broccoli products were used to estimate several model parameters and validate the model. The products had high, medium, low, and zero myrosinase content. The model\u2019s predicted values fit the experimental values very well. Parity plots showed that the predicted values closely matched experimental values for the high (r2 = 0.95), and low (r2 = 0.93) products, but less so for the medium (r2 = 0.85) and zero (r2 = 0.78) myrosinase products. This is the first physiological-based model to depict the unique bioconversion processes of bioactive SR from broccoli. This model represents a preliminary step in creating a predictive model for the biological effect of SR, which can be used in the growing field of personalized nutrition.<\/jats:p>","DOI":"10.3390\/foods10112761","type":"journal-article","created":{"date-parts":[[2021,11,10]],"date-time":"2021-11-10T09:19:21Z","timestamp":1636535961000},"page":"2761","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["A Physiological-Based Model for Simulating the Bioavailability and Kinetics of Sulforaphane from Broccoli Products"],"prefix":"10.3390","volume":"10","author":[{"given":"Quchat","family":"Shekarri","sequence":"first","affiliation":[{"name":"Food Quality and Design Group, Wageningen University and Research, P.O. Box 17, 6700 AA Wageningen, The Netherlands"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0063-4252","authenticated-orcid":false,"given":"Matthijs","family":"Dekker","sequence":"additional","affiliation":[{"name":"Food Quality and Design Group, Wageningen University and Research, P.O. Box 17, 6700 AA Wageningen, The Netherlands"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2021,11,10]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"M\u00e9rillon, J.M., and Ramawat, K.G. (2017). Glucosinolates, Springer.","DOI":"10.1007\/978-3-319-25462-3"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1016\/j.molmed.2012.04.003","article-title":"Glucosinolates and isothiocyanates in health and disease","volume":"18","author":"Kostov","year":"2012","journal-title":"Trends Mol. Med."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"e1701069","DOI":"10.1002\/mnfr.201701069","article-title":"Isothiocyanates from brassica Vegetables-Effects of processing, cooking, mastication, and digestion","volume":"62","author":"Oliviero","year":"2018","journal-title":"Mol. Nutr. Food Res."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"S219","DOI":"10.1002\/mnfr.200800065","article-title":"Glucosinolates in brassica vegetables: The influence of the food supply chain on intake, bioavailability and human health","volume":"53","author":"Verkerk","year":"2009","journal-title":"Mol. Nutr. Food Res."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"823","DOI":"10.1080\/10408398.2012.688076","article-title":"A mechanistic perspective on Process-Induced changes in glucosinolate content in brassica vegetables: A review","volume":"55","author":"Nugrahedi","year":"2015","journal-title":"Crit. Rev. Food Sci. Nutr."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"1906","DOI":"10.1002\/mnfr.201200225","article-title":"Isothiocyanate concentrations and interconversion of sulforaphane to erucin in human subjects after consumption of commercial frozen broccoli compared to fresh broccoli","volume":"56","author":"Saha","year":"2012","journal-title":"Mol. Nutr. Food Res."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"408","DOI":"10.1017\/S0007114511000274","article-title":"Variation of glucoraphanin metabolism in vivo and ex vivo by human gut bacteria","volume":"106","author":"Li","year":"2011","journal-title":"Br. J. Nutr."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"3039","DOI":"10.1021\/jf305442j","article-title":"lactic acid bacteria convert glucosinolates to nitriles efficiently yet differently from enterobacteriaceae","volume":"61","author":"Mullaney","year":"2013","journal-title":"J. Agric. Food Chem."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"e1700991","DOI":"10.1002\/mnfr.201700991","article-title":"Gut glucosinolate metabolism and isothiocyanate production","volume":"62","author":"Narbad","year":"2018","journal-title":"Mol. Nutr. Food Res."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1016\/0168-1605(95)00123-2","article-title":"Degradation of sinigrin by Lactobacillus agilis strain R16","volume":"26","author":"Palop","year":"1995","journal-title":"Int. J. Food Microbiol."},{"key":"ref_11","unstructured":"Rabot, S., Guerin, C., Nugon-Baudon, L., and Szylit, O. (1995). Glucosinolate degradation by bacterial strains isolated from a human intestinal microflora. 9th International Rapeseed Congress, GCIRC."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1111\/j.1574-6968.2001.tb10589.x","article-title":"Formation of allyl isothiocyanate from sinigrin in the digestive tract of rats monoassociated with a human colonic strain of Bacteroides thetaiotaomicron","volume":"197","author":"Elfoul","year":"2001","journal-title":"FEMS Microbiol. Lett."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"875","DOI":"10.1002\/mnfr.201300377","article-title":"The metabolism of methylsulfinylalkyl- and methylthioalkyl-glucosinolates by a selection of human gut bacteria","volume":"58","author":"Narbad","year":"2014","journal-title":"Mol. Nutr. Food Res."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"351","DOI":"10.1016\/j.fct.2003.09.008","article-title":"In vitro digestion of sinigrin and glucotropaeolin by single strains of Bifidobacterium and identification of the digestive products","volume":"42","author":"Cheng","year":"2004","journal-title":"Food Chem. Toxicol."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"1800588","DOI":"10.1002\/mnfr.201800588","article-title":"Diverse excretion pathways of benzyl glucosinolate in humans after consumption of nasturtium (Tropaeolum majus L.)\u2014A pilot study","volume":"62","author":"Kupke","year":"2018","journal-title":"Mol. Nutr. Food Res."},{"key":"ref_16","doi-asserted-by":"crossref","unstructured":"Roos, Y.H., and Livney, Y.D. (2017). Improvement of bioaccessibility and bioavailability: From molecular interactions to delivery systems. Engineering Foods for Bioactives Stability and Delivery, Springer.","DOI":"10.1007\/978-1-4939-6595-3"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"493","DOI":"10.1002\/jsfa.9298","article-title":"An integrated look at the effect of structure on nutrient bioavailability in plant foods","volume":"99","author":"Capuano","year":"2019","journal-title":"J. Sci. Food Agric."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"3612","DOI":"10.1080\/10408398.2018.1502743","article-title":"The food matrix: Implications in processing, nutrition and health","volume":"59","author":"Aguilera","year":"2019","journal-title":"Crit. Rev. Food Sci. Nutr."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"580","DOI":"10.1016\/j.foodchem.2016.07.111","article-title":"Sulforaphane formation and bioaccessibility are more affected by steaming time than meal composition during in vitro digestion of broccoli","volume":"214","author":"Kramer","year":"2017","journal-title":"Food Chem."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"306","DOI":"10.1016\/j.jff.2018.04.033","article-title":"The effect of chewing on oral glucoraphanin hydrolysis in raw and steamed broccoli","volume":"45","author":"Sarvan","year":"2018","journal-title":"J. Funct. Foods"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"240","DOI":"10.1016\/j.foodchem.2018.04.069","article-title":"Leaching and degradation kinetics of glucosinolates during boiling of Brassica oleracea vegetables and the formation of their breakdown products","volume":"263","author":"Hanschen","year":"2018","journal-title":"Food Chem."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"1273","DOI":"10.1016\/j.phytochem.2004.04.013","article-title":"Heating decreases epithiospecifier protein activity and increases sulforaphane formation in broccoli","volume":"65","author":"Matusheski","year":"2004","journal-title":"Phytochemistry"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"332","DOI":"10.1016\/j.foodqual.2010.12.004","article-title":"Mastication of heterogeneous foods: Peanuts inside two different food matrices","volume":"22","author":"Hutchings","year":"2011","journal-title":"Food Qual. Prefer."},{"key":"ref_24","first-page":"501","article-title":"Chemoprotective glucosinolates and isothiocyanates of broccoli sprouts","volume":"10","author":"Shapiro","year":"2001","journal-title":"Cancer Epidemiol. Biomark."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"149","DOI":"10.1146\/annurev-food-070620-124140","article-title":"Physiologically based modeling of food digestion and intestinal microbiota: State of the art and future challenges. An INFOGEST review","volume":"12","author":"Feunteun","year":"2021","journal-title":"Annu. Rev. Food Sci. Technol."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1016\/0378-5173(96)04592-9","article-title":"Compartmental transit and dispersion model analysis of small intestinal transit flow in humans","volume":"140","author":"Yu","year":"1996","journal-title":"Int. J. Pharm."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1208\/s12248-009-9098-z","article-title":"Mechanistic approaches to predicting oral drug absorption","volume":"11","author":"Huang","year":"2009","journal-title":"AAPS J."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"1883","DOI":"10.1023\/A:1018911728161","article-title":"An integrated model for determining causes of poor oral drug absorption","volume":"16","author":"Yu","year":"1999","journal-title":"Pharm. Res."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1093\/toxsci\/kfp102","article-title":"Use of physiologically based biokinetic (PBBK) modeling to study estragole bioactivation and detoxification in humans as compared with male rats","volume":"110","author":"Punt","year":"2009","journal-title":"Toxicol. Sci."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"248","DOI":"10.1016\/j.taap.2008.04.011","article-title":"A physiologically based biokinetic (PBBK) model for estragole bioactivation and detoxification in rat","volume":"231","author":"Punt","year":"2008","journal-title":"Toxicol. Appl. Pharmacol."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"1099","DOI":"10.1007\/s11947-013-1116-6","article-title":"Impact of the dairy matrix structure on milk protein digestion kinetics: Mechanistic modelling based on mini-pig in vivo data","volume":"7","author":"Dupont","year":"2014","journal-title":"Food Bioprocess. Technol."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"328","DOI":"10.1016\/j.anifeedsci.2007.05.018","article-title":"A dynamic model of digestion and absorption in pigs","volume":"143","author":"Strathe","year":"2008","journal-title":"Anim. Feed. Sci. Technol."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1016\/j.jfoodeng.2015.10.019","article-title":"In silico modelling of mass transfer & absorption in the human gut","volume":"176","author":"Moxon","year":"2016","journal-title":"J. Food Eng."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"2128","DOI":"10.1002\/mnfr.201300210","article-title":"Kinetics of sulforaphane in mice after consumption of sulforaphane-enriched broccoli sprout preparation","volume":"57","author":"Li","year":"2013","journal-title":"Mol. Nutr. Food Res."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"1447","DOI":"10.1002\/mnfr.201300894","article-title":"In vivo formation and bioavailability of isothiocyanates from glucosinolates in broccoli as affected by processing conditions","volume":"58","author":"Oliviero","year":"2014","journal-title":"Mol. Nutr. Food Res."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"10505","DOI":"10.1021\/jf801989e","article-title":"Bioavailability and kinetics of sulforaphane in humans after consumption of cooked versus raw broccoli","volume":"56","author":"Vermeulen","year":"2008","journal-title":"J. Agric. Food Chem."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"3554","DOI":"10.1021\/jf0341316","article-title":"Analysis of isothiocyanate mercapturic acids in urine: A biomarker for cruciferous vegetable intake","volume":"51","author":"Vermeulen","year":"2003","journal-title":"J. Agric. Food Chem."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"140","DOI":"10.1111\/j.1875-595X.2000.tb00554.x","article-title":"Saliva in health and disease: An appraisal and update","volume":"50","author":"Sreebny","year":"2000","journal-title":"Int. Dent. J."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1136\/gut.29.1.85","article-title":"Biphasic nature of gastric emptying","volume":"29","author":"Siegel","year":"1988","journal-title":"Gut"},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"11666","DOI":"10.1021\/jf504957c","article-title":"Purification and characterization of broccoli (Brassica oleracea var","volume":"62","author":"Mahn","year":"2014","journal-title":"italica) Myrosinase (\u03b2-Thioglucosidase Glucohydrolase). J. Agric. Food Chem."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"1015","DOI":"10.1080\/00498250701704819","article-title":"Intestinal permeability and its relevance for absorption and elimination","volume":"37","year":"2007","journal-title":"Xenobiotica"},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1016\/j.foodchem.2018.01.179","article-title":"Kinetic and structural study of broccoli myrosinase and its interaction with different glucosinolates","volume":"254","author":"Castillo","year":"2018","journal-title":"Food Chem."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"761","DOI":"10.1016\/0003-9969(88)90010-6","article-title":"A comparison of the effects of tasting and chewing foods on the flow rate of whole saliva in man","volume":"33","author":"Watanabe","year":"1988","journal-title":"Arch. Oral Biol."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1111\/j.1541-4337.2011.00172.x","article-title":"Bolus formation and disintegration during digestion of food carbohydrates","volume":"11","author":"Bornhorst","year":"2012","journal-title":"Compr. Rev. Food Sci. Food Saf."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"480","DOI":"10.1152\/ajplegacy.1937.119.3.480","article-title":"The Relation of the size of the meal to the emptying time of the human stomach","volume":"119","author":"Sleeth","year":"1937","journal-title":"Am. J. Physiol.-Leg. Content"},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"1682","DOI":"10.1208\/s12248-017-0145-x","article-title":"Mechanistic fluid transport model to estimate gastrointestinal fluid volume and its dynamic change over time","volume":"19","author":"Yu","year":"2017","journal-title":"AAPS J."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"681","DOI":"10.3109\/00365521.2014.898326","article-title":"Surface area of the digestive tract\u2013revisited","volume":"49","author":"Helander","year":"2014","journal-title":"Scand. J. Gastroenterol."},{"key":"ref_48","doi-asserted-by":"crossref","unstructured":"Schmidt, R.F., and Thews, G. (1989). Functions of the blood. Human Physiology, Springer.","DOI":"10.1007\/978-3-642-73831-9"},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"41","DOI":"10.3390\/pharmaceutics9040041","article-title":"Predicting oral drug absorption: Mini review on physiologically-based pharmacokinetic models","volume":"9","author":"Louis","year":"2017","journal-title":"Pharmaceutics"},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"1447","DOI":"10.1002\/mnfr.201700837","article-title":"Bioavailability of isothiocyanates from broccoli sprouts in protein, lipid, and fiber gels","volume":"62","author":"Oliviero","year":"2018","journal-title":"Mol. Nutr. Food Res."},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1207\/S15327914NC382_5","article-title":"Disposition of glucosinolates and sulforaphane in humans after ingestion of steamed and fresh broccoli","volume":"38","author":"Conaway","year":"2000","journal-title":"Nutr. Cancer"},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1016\/S0378-5173(99)00147-7","article-title":"A compartmental absorption and transit model for estimating oral drug absorption","volume":"186","author":"Yu","year":"1999","journal-title":"Int. J. Pharm."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"1370","DOI":"10.1017\/S0007114518002921","article-title":"Absorption and metabolism of isothiocyanates formed from broccoli glucosinolates: Effects of BMI and daily consumption in a randomised clinical trial","volume":"120","author":"Charron","year":"2018","journal-title":"Br. J. Nutr."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"e0124599","DOI":"10.1371\/journal.pone.0124599","article-title":"Sex, body mass index, and dietary fiber intake influence the human gut microbiome","volume":"10","author":"Dominianni","year":"2015","journal-title":"PLoS ONE"},{"key":"ref_55","doi-asserted-by":"crossref","unstructured":"Haro, C., Rangel-Z\u00fa\u00f1iga, O.A., Alcal\u00e1-D\u00edaz, J.F., G\u00f3mez-Delgado, F., P\u00e9rez-Mart\u00ednez, P., Delgado-Lista, J., Quintana-Navarro, G.M., Landa, B.B., Navas-Cort\u00e9s, J.A., and Tena-Sempere, M. (2016). Intestinal Microbiota Is Influenced by Gender and Body Mass Index. PLoS ONE.","DOI":"10.1371\/journal.pone.0154090"},{"key":"ref_56","first-page":"1617","article-title":"Isolation of myrosinase producing microorganism","volume":"38","author":"Tani","year":"1974","journal-title":"Agric. Biol. Chem."},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1007\/s10930-015-9607-0","article-title":"Identification of proteins possibly involved in glucosinolate metabolism in L. agilis R16 and E. coli VL8","volume":"34","author":"Narbad","year":"2015","journal-title":"Protein J."},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"717","DOI":"10.1016\/j.cell.2020.01.023","article-title":"A Metabolic pathway for activation of dietary glucosinolates by a human gut symbiont","volume":"180","author":"Liou","year":"2020","journal-title":"Cell"},{"key":"ref_59","unstructured":"Bornhorst, G., Singh, R., and Heldman, D. (2011). Rate kinetics of bread bolus disintegration during in vitro digestion. International Congress of Engineering and Food, Elsevier Procedia."},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"202","DOI":"10.1111\/j.1750-3841.2008.00745.x","article-title":"A model stomach system to investigate disintegration kinetics of solid foods during gastric digestion","volume":"73","author":"Kong","year":"2008","journal-title":"J. Food Sci."},{"key":"ref_61","doi-asserted-by":"crossref","first-page":"1537","DOI":"10.1007\/BF01296499","article-title":"Measurement of segmental transit through the gut in man. A novel approach by the biomagnetic method","volume":"37","author":"Basile","year":"1992","journal-title":"Dig. Dis. Sci."},{"key":"ref_62","doi-asserted-by":"crossref","first-page":"299","DOI":"10.1136\/gut.39.2.299","article-title":"Variability of gastrointestinal transit in healthy women and men","volume":"39","author":"Degen","year":"1996","journal-title":"Gut"}],"container-title":["Foods"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2304-8158\/10\/11\/2761\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T07:28:08Z","timestamp":1760167688000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2304-8158\/10\/11\/2761"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,11,10]]},"references-count":62,"journal-issue":{"issue":"11","published-online":{"date-parts":[[2021,11]]}},"alternative-id":["foods10112761"],"URL":"https:\/\/doi.org\/10.3390\/foods10112761","relation":{},"ISSN":["2304-8158"],"issn-type":[{"value":"2304-8158","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,11,10]]}}}