PMID- 38537463 OWN - NLM STAT- MEDLINE DCOM- 20240408 LR - 20240408 IS - 1095-8630 (Electronic) IS - 0301-4797 (Linking) VI - 356 DP - 2024 Apr TI - Interaction of microorganisms with carbonates from the micro to the macro scales during sedimentation: Insights into the early stage of biodegradation. PG - 120714 LID - S0301-4797(24)00700-X [pii] LID - 10.1016/j.jenvman.2024.120714 [doi] AB - The assembly process of Organic Matter (OM) from single molecules to polymers and the formation process of Ca-CO(3) ion-pairs are explored at the micro-scale, and then the relationship between OM and carbonate based on the results of microbially-induced carbonate precipitation (MICP) laboratory experiments is established at the macro-scale. Molecular dynamics (MD) is used to model the assembly of OM (a) in an aqueous solution, (b) on surfaces of calcite (10 1‾ 4) crystals and (c) on defective calcite (101‾ 4) crystal surfaces. From the MICP experiments, carbonate minerals containing abundant OM were precipitated and were characterized by Scanning Electron Microscopy (SEM), X-Ray Diffractometry (XRD) and Fourier Transform Infrared Spectroscopy (FTIR). The results of the MD show that OM is assembled into polymers in all three simulation systems. Although the Ca-CO(3) ion-pairs and OM were briefly combined, the aggregation assembly of OM molecules and the precipitation of carbonate calcium are not related in the long run. The highly specific surface area of the defective calcite shows an increase in the adsorption of OM. The van der Waals forces, which are primarily responsible for controlling the assembly of OM molecules, increase with the degree of aggregation. According to the MICP experiments, OM is enriched on the mineral surfaces, and more OM is found at the steps of defective crystals with their larger surface areas. Through MD and MICP laboratory experiments, this work systematically describes the interaction of OM and carbonate minerals from the micro to the macro scales, and this provides insight into the interaction between OM and carbonates and biogeochemical processes related to the accumulation of OM in sediments. CI - Copyright (c) 2024 Elsevier Ltd. All rights reserved. FAU - Gao, Xiao AU - Gao X AD - Shandong Provincial Key Laboratory of Depositional Mineralization and Sedimentary Minerals, College of Earth Science and Engineering, Shandong University of Science and Technology, Qingdao 266590, China; Laboratory for Marine Mineral Resources, Center for Isotope Geochemistry and Geochronology, Qingdao National Laboratory for Marine Science and Technology, Qingdao 266237, China; College of Safety and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590, China. FAU - Han, Zuozhen AU - Han Z AD - Shandong Provincial Key Laboratory of Depositional Mineralization and Sedimentary Minerals, College of Earth Science and Engineering, Shandong University of Science and Technology, Qingdao 266590, China; Laboratory for Marine Mineral Resources, Center for Isotope Geochemistry and Geochronology, Qingdao National Laboratory for Marine Science and Technology, Qingdao 266237, China. FAU - Zhao, Yanyang AU - Zhao Y AD - Shandong Provincial Key Laboratory of Depositional Mineralization and Sedimentary Minerals, College of Earth Science and Engineering, Shandong University of Science and Technology, Qingdao 266590, China; Laboratory for Marine Mineral Resources, Center for Isotope Geochemistry and Geochronology, Qingdao National Laboratory for Marine Science and Technology, Qingdao 266237, China. FAU - Zhou, Gang AU - Zhou G AD - College of Safety and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590, China. FAU - Lyu, Xiaowei AU - Lyu X AD - Qingdao Qiushi Industrial Technology Research Institute, Qingdao 266427, China. FAU - Qi, Zhenhua AU - Qi Z AD - Shandong Provincial Key Laboratory of Depositional Mineralization and Sedimentary Minerals, College of Earth Science and Engineering, Shandong University of Science and Technology, Qingdao 266590, China. FAU - Liu, Fang AU - Liu F AD - College of Chemical Engineering, China University of Petroleum, Qingdao 266580, China; State Key Laboratory of Petroleum Pollution Control, Beijing 102206, China. FAU - Tucker, Maurice E AU - Tucker ME AD - School of Earth Sciences, University of Bristol, Bristol BS8 1RJ, UK; Cabot Institute, University of Bristol, Cantock's Close, Bristol BS8 1UJ, UK. FAU - Steiner, Michael AU - Steiner M AD - Shandong Provincial Key Laboratory of Depositional Mineralization and Sedimentary Minerals, College of Earth Science and Engineering, Shandong University of Science and Technology, Qingdao 266590, China; Department of Earth Sciences, Freie Universitat Berlin, Malteserstrasse 74-100, Haus D, Berlin 12249, Germany. FAU - Han, Chao AU - Han C AD - Shandong Provincial Key Laboratory of Depositional Mineralization and Sedimentary Minerals, College of Earth Science and Engineering, Shandong University of Science and Technology, Qingdao 266590, China; Laboratory for Marine Mineral Resources, Center for Isotope Geochemistry and Geochronology, Qingdao National Laboratory for Marine Science and Technology, Qingdao 266237, China. Electronic address: superhan@sdust.edu.cn. LA - eng PT - Journal Article DEP - 20240327 PL - England TA - J Environ Manage JT - Journal of environmental management JID - 0401664 RN - 0 (Carbonates) RN - H0G9379FGK (Calcium Carbonate) RN - 0 (Minerals) RN - 0 (Polymers) SB - IM MH - *Carbonates/chemistry MH - *Calcium Carbonate/chemistry MH - Minerals MH - Adsorption MH - Polymers MH - Chemical Precipitation OTO - NOTNLM OT - Biogeochemistry OT - Carbonate OT - Microbially induced carbonate precipitation OT - Organic matter COIS- Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. EDAT- 2024/03/28 00:44 MHDA- 2024/04/08 06:43 CRDT- 2024/03/27 19:10 PHST- 2023/10/17 00:00 [received] PHST- 2024/02/21 00:00 [revised] PHST- 2024/03/19 00:00 [accepted] PHST- 2024/04/08 06:43 [medline] PHST- 2024/03/28 00:44 [pubmed] PHST- 2024/03/27 19:10 [entrez] AID - S0301-4797(24)00700-X [pii] AID - 10.1016/j.jenvman.2024.120714 [doi] PST - ppublish SO - J Environ Manage. 2024 Apr;356:120714. doi: 10.1016/j.jenvman.2024.120714. Epub 2024 Mar 27.