Newcastle University ePrints

1 2 Scope: Understanding relationships between dietary whole grain and health is hindered by 3 incomplete knowledge of potentially bioactive metabolites derived from these foods. We 4 aimed to discover compounds in urine correlated with changes in amounts of wholegrain rye 5 consumption. 6 Methods and Results: After a wash-out period, volunteers consumed 48 g wholegrain rye 7 foods per day for 4 weeks and then doubled their intake for a further 4 weeks. 24 hour urines 8 were analyzed by flow infusion electrospray MS followed by supervised multivariate data 9 analysis. Urine samples from participants who reported high intakes of rye flakes, rye pasta or 10 total wholegrain rye products could not be discriminated adequately from their wash-out 11 samples. However, discrimination was seen in urine samples from participants who reported 12 high wholegrain sourdough rye bread consumption. Accurate mass analysis of explanatory 13 signals followed by fragmentation identified conjugates of the benzoxazinoid lactam 214 hydroxy-1,4-benzoxazin-3-one (HBOA) and hydroxylated phenyl acetamide derivatives. 15 Statistical validation showed sensitivities of 84–96% and specificities of 70–81% (P values 16 <0·05) for elevated concentrations of these signals after preferential wholegrain sourdough 17 rye bread consumption. 18 Conclusion: Several potentially bioactive alkaloids have been identified in humans 19 consuming fermented wholegrain sourdough rye bread. 20