{"title":"深入了解DOM在污泥堆肥过程中腐殖质化中的作用:使用FT-ICR质谱进行综合化学信息学分析","authors":"Jibao Liu, Ning Wang, Manabu Fujii, Zhen Bao, Jinyi Wei, Zhineng Hao, Qing-long Fu, Rongjun Gao, Jingfu Liu, Yuansong Wei","doi":"10.1016/j.cej.2023.146024","DOIUrl":null,"url":null,"abstract":"Biological humification is the core process in sludge composting for organic matter stabilization. Characterizing dissolved organic matter (DOM) would be a promising way for tracking humification, but still needs fundamental understanding. This study evidenced the role of DOM in deciphering humification via comprehensive and expansive chemoinformatic analyses based on Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Results showed that formula-derived indices including half reaction of carbon oxidation (ΔG0Cox), oxygen to carbon ratios (O/C), double bond equivalent to carbon ratios (DBE/C) and modified aromaticity index (AImod) (except for molecular lability boundary (MLB) index) from the nitrogen (N)-containing compounds were highly correlated with the fluorescence index representing humic and fulvic acids. Besides, the identified dominant reaction types (oxidative demethylation, deamination, and desulfurization, etc.) in different stage of composting, key molecules based on paired mass distance (PMD) network, and nexus molecules (e.g., C10H14N5O7P, C9H14N3O8P, C14H18N4O3, etc.) from DOM-microbes associated network further supported the important roles of N-containing compounds in humification. Furthermore, as the precursors for humification, releasing of biogenic N-containing compounds from sludge and providing thermodynamically available CHO compounds would be important for controlling humification. The fates of N-containing precursors and stable CHO precursors in determining the degree of humification need more attentions in future research. This study provides fundamental understanding that exploring DOM composition, properties and molecular transformation is alternative to track humification in composting.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":null,"pages":null},"PeriodicalIF":13.3000,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Insights into the roles of DOM in humification during sludge composting: Comprehensive chemoinformatic analysis using FT-ICR mass spectrometry\",\"authors\":\"Jibao Liu, Ning Wang, Manabu Fujii, Zhen Bao, Jinyi Wei, Zhineng Hao, Qing-long Fu, Rongjun Gao, Jingfu Liu, Yuansong Wei\",\"doi\":\"10.1016/j.cej.2023.146024\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Biological humification is the core process in sludge composting for organic matter stabilization. Characterizing dissolved organic matter (DOM) would be a promising way for tracking humification, but still needs fundamental understanding. This study evidenced the role of DOM in deciphering humification via comprehensive and expansive chemoinformatic analyses based on Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Results showed that formula-derived indices including half reaction of carbon oxidation (ΔG0Cox), oxygen to carbon ratios (O/C), double bond equivalent to carbon ratios (DBE/C) and modified aromaticity index (AImod) (except for molecular lability boundary (MLB) index) from the nitrogen (N)-containing compounds were highly correlated with the fluorescence index representing humic and fulvic acids. Besides, the identified dominant reaction types (oxidative demethylation, deamination, and desulfurization, etc.) in different stage of composting, key molecules based on paired mass distance (PMD) network, and nexus molecules (e.g., C10H14N5O7P, C9H14N3O8P, C14H18N4O3, etc.) from DOM-microbes associated network further supported the important roles of N-containing compounds in humification. Furthermore, as the precursors for humification, releasing of biogenic N-containing compounds from sludge and providing thermodynamically available CHO compounds would be important for controlling humification. The fates of N-containing precursors and stable CHO precursors in determining the degree of humification need more attentions in future research. This study provides fundamental understanding that exploring DOM composition, properties and molecular transformation is alternative to track humification in composting.\",\"PeriodicalId\":270,\"journal\":{\"name\":\"Chemical Engineering Journal\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":13.3000,\"publicationDate\":\"2023-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Engineering Journal\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1016/j.cej.2023.146024\",\"RegionNum\":1,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENGINEERING, CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Engineering Journal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1016/j.cej.2023.146024","RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
Insights into the roles of DOM in humification during sludge composting: Comprehensive chemoinformatic analysis using FT-ICR mass spectrometry
Biological humification is the core process in sludge composting for organic matter stabilization. Characterizing dissolved organic matter (DOM) would be a promising way for tracking humification, but still needs fundamental understanding. This study evidenced the role of DOM in deciphering humification via comprehensive and expansive chemoinformatic analyses based on Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Results showed that formula-derived indices including half reaction of carbon oxidation (ΔG0Cox), oxygen to carbon ratios (O/C), double bond equivalent to carbon ratios (DBE/C) and modified aromaticity index (AImod) (except for molecular lability boundary (MLB) index) from the nitrogen (N)-containing compounds were highly correlated with the fluorescence index representing humic and fulvic acids. Besides, the identified dominant reaction types (oxidative demethylation, deamination, and desulfurization, etc.) in different stage of composting, key molecules based on paired mass distance (PMD) network, and nexus molecules (e.g., C10H14N5O7P, C9H14N3O8P, C14H18N4O3, etc.) from DOM-microbes associated network further supported the important roles of N-containing compounds in humification. Furthermore, as the precursors for humification, releasing of biogenic N-containing compounds from sludge and providing thermodynamically available CHO compounds would be important for controlling humification. The fates of N-containing precursors and stable CHO precursors in determining the degree of humification need more attentions in future research. This study provides fundamental understanding that exploring DOM composition, properties and molecular transformation is alternative to track humification in composting.
期刊介绍:
The Chemical Engineering Journal is an international research journal that invites contributions of original and novel fundamental research. It aims to provide an international platform for presenting original fundamental research, interpretative reviews, and discussions on new developments in chemical engineering. The journal welcomes papers that describe novel theory and its practical application, as well as those that demonstrate the transfer of techniques from other disciplines. It also welcomes reports on carefully conducted experimental work that is soundly interpreted. The main focus of the journal is on original and rigorous research results that have broad significance. The Catalysis section within the Chemical Engineering Journal focuses specifically on Experimental and Theoretical studies in the fields of heterogeneous catalysis, molecular catalysis, and biocatalysis. These studies have industrial impact on various sectors such as chemicals, energy, materials, foods, healthcare, and environmental protection.