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Sci Total Environ

Title:		"Disentanglement of the chemical, physical, and biological processes aids the development of quantitative structure-biodegradation relationships for aerobic wastewater treatment"
Author(s):		Nolte TM; Chen G; van Schayk CS; Pinto-Gil K; Hendriks AJ; Peijnenburg W; Ragas AMJ;
Address:		"Department of Environmental Science, Institute for Water and Wetland Research, Radboud University, PO Box 9010, 6500 GL Nijmegen, the Netherlands; Eidgenossische Technische Hochschule (ETH) Zurich, Laboratory of Inorganic Chemistry, Vladimir-Prelog-Weg 1, 8093 Zurich, Switzerland. Electronic address: t.nolte@science.ru.nl. Department of Environmental Science, Institute for Water and Wetland Research, Radboud University, PO Box 9010, 6500 GL Nijmegen, the Netherlands; Institute of Environmental Sciences, Leiden University, 2300 RA Leiden, the Netherlands. Department of Environmental Science, Institute for Water and Wetland Research, Radboud University, PO Box 9010, 6500 GL Nijmegen, the Netherlands. Research Programme on Biomedical Informatics (GRIB), Institut Hospital del Mar d'Investigacions Mediques (IMIM), Dept. of Experimental and Health Sciences, Universitat Pompeu Fabra, Dr. Aiguader 88, 08003 Barcelona, Spain. Institute of Environmental Sciences, Leiden University, 2300 RA Leiden, the Netherlands; National Institute of Public Health and the Environment, PO Box 1, 3720 BA Bilthoven, the Netherlands. Department of Environmental Science, Institute for Water and Wetland Research, Radboud University, PO Box 9010, 6500 GL Nijmegen, the Netherlands; Department of Science, Faculty of Management, Science & Technology, Open University, Valkenburgerweg 177, 6419 AT Heerlen, the Netherlands"
Journal Title:		Sci Total Environ
Year:		2020
Volume:		20190812
Issue:
Page Number:		133863 -
DOI:		10.1016/j.scitotenv.2019.133863
ISSN/ISBN:		1879-1026 (Electronic) 0048-9697 (Linking)
Abstract:		"Attenuation of organic compounds in sewage treatment plants (STPs) is affected by a complex interplay between chemical (e.g. ionization, hydrolysis), physical (e.g. sorption, volatilization), and biological (e.g. biodegradation, microbial acclimation) processes. These effects should be accounted for individually, in order to develop predictive cheminformatics tools for STPs. Using measured data from 70 STPs in the Netherlands for 69 chemicals (pharmaceuticals, herbicides, etc.), we highlighted the influences of 1) chemical ionization, 2) sorption to sludge, and 3) acclimation of the microbial consortia on the primary removal of chemicals. We used semi-empirical corrections for each of these influences to deduce biodegradation rate constants upon which quantitative structure-biodegradation relationships (QSBRs) were developed. As shown by a global QSBR, biodegradation in STPs generally relates to structural complexity, size, energetics, and charge distribution. Statistics of the global QSBR were reasonable, being R(2)(training)=0.69 (training set of 51 compounds) and R(2)(validation)=0.50 (validation set of 18 compounds). Class-specific QSBRs utilized electronic properties potentially relating to rate-limiting enzymatic steps. For class-specific QSBRs, values of R(2) of in between 0.7 and 0.8 were obtained. With caution, environmental risk assessment methodologies may apply these models to estimate biodegradation rates for 'data-poor' compounds. The approach also highlights 'meta data' on STP operational parameters needed to develop QSBRs of better predictability in the future"
Keywords:		"Biodegradation, Environmental Microbial Consortia Netherlands Sewage Waste Disposal, Fluid *Wastewater Water Pollutants, Chemical Aerobic Biodegradation Micropollutants Qsbr Wastewater;"
Notes:		"MedlineNolte, Tom M Chen, Guangchao van Schayk, Coen S Pinto-Gil, Kevin Hendriks, A Jan Peijnenburg, Willie J G M Ragas, Ad M J eng Netherlands 2019/11/28 Sci Total Environ. 2020 Mar 15; 708:133863. doi: 10.1016/j.scitotenv.2019.133863. Epub 2019 Aug 12"