Monitoring the Transformation of Organic Matter During Composting Using 1H NMR Spectroscopy and Chemometric Analysis

Composting is an effective biotechnological process for transforming agro-industrial residues into stabilized and nutrient-rich organic amendments. However, the molecular mechanisms underlying organic matter transformation remain poorly resolved. In this study, a mixture of winery by-products and poultry manure was composted under controlled aeration and monitored through high-field 1H NMR spectroscopy of the water-extractable organic matter (WEOM), followed by interval-based chemometric analysis. The NMR spectra revealed distinct compositional trends, including the rapid depletion of amino acids and carbohydrates, the transient accumulation of low-molecular-weight organic acids, and the gradual enrichment in aromatic and phenolic compounds associated with humification processes. Chemometric modeling using Partial Least Squares (PLS) regression and its interval variants (iPLS and biPLS) enabled accurate prediction of composting time (r ≈ 0.95) and identification of diagnostic spectral intervals corresponding to key metabolites. These findings demonstrate the capability of NMR-based molecular profiling, combined with multivariate modeling, to elucidate the biochemical pathways of composting and to provide quantitative indicators of compost stability and maturity.