Comprehensively assessing priority odorants emitted from swine slurry combining nontarget screening with olfactory...

The lack of one-to-one olfactory thresholds (OTs) poses an obstacle to the comprehensive assessment of priority odorants emitted from swine slurry using mass spectrometric nontarget screening. This study screened out highly performing quantitative structure-activity relationship (QSAR) models of OT prediction to complement nontarget screening in olfactory perception evaluation. A total of 27 compounds emitted at different slurry removal frequencies were identified and quantified using gas chromatography-mass spectrometry (GC-MS), including thiirane, dimethyl trisulfide (DMTS), and dimethyl tetrasulfide (DMQS) without OT records. Ridge regression (RR, R² = 0.77, RMSE = 0.93, MAE = 0.73) and random forest regression (RFR, R² = 0.76, RMSE = 0.97, MAE = 0.69) rather than the commonly used principal component regression (PCR) and partial least squares regression (PLSR) were used to assign OTs and assess the contributions of emerging volatile sulfur compounds (VSCs) to the sum of odor activity value (SOAV). Priority odorants were p-cresol (25.0-58.9 %) > valeric acid (8.3-31.7 %) > isovaleric acid (6.7-19.0 %) > dimethyl disulfide (4.7-15.7 %) > methanethiol (0-13.6 %) > isobutyric acid (0-8.6 %), whereas the contributions of three emerging VSCs were below 10 %. Vital olfactory active structures were identified by QSAR models as having high molecular polarity, high hydrophilicity, high charge quantity, flexible structure, high reactivity, and a high number of sulfur atoms. This protocol can be further extended to evaluate odor pollution levels for distinct odor sources and guide the development of pertinent deodorization technologies.