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Fourier transform ion cyclotron resonance (FT ICR) mass spectrometry data

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Nov 26, 2024 version files 13.47 MB
Jan 15, 2025 version files 13.47 MB
Jan 18, 2025 version files 13.47 MB

Abstract

Understanding dissolved organic matter (DOM) transformation is crucial for comprehending soil biogeochemical cycling. However, the extent that soil microbes mediate DOM transformation at the molecular level, and whether this is regulated by soil management practices such as fertilization remain largely unknown. We investigated soil DOM transformations under long-term fertilization using Fourier-transform ion cyclotron resonance mass spectrometry, high-throughput sequencing, and machine learning. Fertilization greatly promoted transformation potential of DOM molecules. Notably, organic fertilization increased the mean transformation number of DOM molecules by 260% compared to no-fertilization, while chemical fertilization increased it by 193.33%. Machine learning indicated that intrinsic DOM molecular characteristics (aromaticity index, oxygen/carbon, and hydrogen/carbon ratios) could predict transformation potential, especially for medium- or low-transformation-potential molecules. However, high-transformation-potential DOM molecules were more influenced by soil microorganisms that contributed to DOM transformation (e.g., Desulfobacterota). Our study provides a parameter to characterize potential transformation capacity of DOM molecules, the effects of different fertilization treatments on this potential, and highlights microbial contributions to molecular transformation processes, identifying the key microbial groups.