Is the Arrhenius-correction of biodegradation rates, as recommended through REACH guidance, fit for environmentally relevant conditions? An example from petroleum biodegradation in environmental systems

Brown, David M.; Camenzuli, Louise; Redman, Aaron D.; Hughes, Christopher B.; Wang, Neil; Vaiopoulou, Eleni; Saunders, David; Villalobos, Alexander; Linington, Susannah

doi:10.1016/j.scitotenv.2020.139293

Cited by 22 publications

(30 citation statements)

References 59 publications

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“…Primary hydrocarbon biodegradation data were obtained from the academic literature and published reports (Birch et al, 2018; Brakstad, Ribicic, et al, 2018; Comber et al, 2012; McFarlin et al, 2018; Prince et al, 2007, 2008, 2013, 2016, 2017; Prosser et al, 2016; Ribicic, McFarlin, et al, 2018; Ribicic, Netzer, et al, 2018). Screening criteria were adopted, with minor modifications, from Brown et al (2020). Criteria were selected to allow for comprehensive characterization of the experimental design and test system conditions needed for model parameterization as well as to clearly define the environmental applicability domain of the model.…”

Section: Methodsmentioning

confidence: 99%

Predicting Primary Biodegradation of Petroleum Hydrocarbons in Aquatic Systems: Integrating System and Molecular Structure Parameters using a Novel Machine‐Learning Framework

Davis

Camenzuli²,

Redman

2022

Enviro Toxic and Chemistry

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Quantitative structure-property relationship (QSPR) models for predicting primary biodegradation of petroleum hydrocarbons have been previously developed. These models use experimental data generated under widely varied conditions, the effects of which are not captured adequately within model formalisms. As a result, they exhibit variable predictive performance and are unable to incorporate the role of study design and test conditions on the assessment of environmental persistence. To address these limitations, a novel machine-learning System-Integrated Model (HC-BioSIM) is presented, which integrates chemical structure and test system variability, leading to improved prediction of primary disappearance time (DT50) values for petroleum hydrocarbons in fresh and marine water. An expanded, highly curated database of 728 experimental DT50 values (181 unique hydrocarbon structures compiled from 13 primary sources) was used to develop and validate a supervised model tree machine-learning model. Using relatively few parameters (6 system and 25 structural parameters), the model demonstrated significant improvement in predictive performance (root mean square error = 0.26, R 2 = 0.67) over existing QSPR models. The model also demonstrated improved accuracy of persistence (P) categorization (i.e., "Not P/P/vP"), with an accuracy of 96.8%, and false-positive and -negative categorization rates of 0.4% and 2.7%, respectively. This significant improvement in DT50 prediction, and subsequent persistence categorization, validates the need for models that integrate experimental design and environmental system parameters into biodegradation and persistence assessment.

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Section: Methodsmentioning

confidence: 99%

Predicting Primary Biodegradation of Petroleum Hydrocarbons in Aquatic Systems: Integrating System and Molecular Structure Parameters using a Novel Machine‐Learning Framework

Davis

Camenzuli²,

Redman

2022

Enviro Toxic and Chemistry

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“…Further, as discussed in "Temperature correction" section, the practice in guidance of temperature correction of degradation half-lives using the Arrhenius equation remains scientifically questionable and uncertain [150]. As has been demonstrated in this study, several relevant studies from the literature have measured the degradation of phenanthrene in water-sediment systems, and all resulted in half-lives well below the P cut-off.…”

Section: Comparison Of This Study To the Phenanthrene Svhc Listingmentioning

confidence: 73%

“…This recommendation assumes that biodegradation in the environment varies with temperature according to Arrhenius, and is based on an analysis of plant protection product biodegradation in soils [147]. However, there remains a body of evidence that does not support this practice [148][149][150][151]. In particular, the Arrhenius law, which is used to describe simple chemical reactions, does not consider the possible influence of temperature adaptation on biodegradation rates in complex biological systems.…”

Section: Temperature Correctionmentioning

confidence: 99%

“…In particular, the Arrhenius law, which is used to describe simple chemical reactions, does not consider the possible influence of temperature adaptation on biodegradation rates in complex biological systems. In a systematic analysis of 993 hydrocarbon biodegradation half-lives, Brown et al [150] found that the use of the Arrhenius equation in accordance with ECHA guidance over-estimated the influence of temperature on biodegradation half-lives when comparing temperature-adapted inocula. A comparison of surface water biodegradation half-lives for phenanthrene did not yield any correlation with temperature (Fig.…”

Section: Temperature Correctionmentioning

confidence: 99%

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Can a chemical be both readily biodegradable AND very persistent (vP)? Weight-of-evidence determination demonstrates that phenanthrene is not persistent in the environment

et al. 2020

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Under the European REACH regulation, chemicals are assessed for persistence as part of weight-of-evidence determinations of persistence, bioaccumulation and toxicity (PBT), as required under Annex XIII and supported by an Integrated Assessment and Testing Strategy (ITS). This study describes the persistence assessment of phenanthrene, a data-rich polycyclic aromatic hydrocarbon (PAH), in accordance with this framework. All available data from screening and simulation tests, for water, soil and sediment compartments, plus other relevant information, have been compiled. These have been evaluated for reliability and relevance, and a weight-of-evidence determination of persistence has been carried out. Aspects relevant to the assessment, such as degradation metabolites, non-extractable residues (NER), test temperature and bioavailability, have also been considered. The resulting assessment considered a wide range of evidence, including 101 experimental data points. Phenanthrene was demonstrated to be readily biodegradable, a first-tier screen for non-persistence in the ITS. Furthermore, weight-of-evidence assessment of data for water, soil and sediment compartments supported a conclusion of “not persistent” (not P). In non-standard soil studies with sludge-amended soils, longer half-lives were observed. This was attributable to pyrogenic sources of and significantly reduced bioavailability of phenanthrene, highlighting the importance of bioavailability as a major source of variability in persistence data. Available simulation test data for the sediment compartment were found to be unreliable due to the anoxic impact of the use of a biodegradable solvent in a closed system, and were inconsistent with the broader weight of evidence. Estimation of photodegradation using AOPWIN and the APEX model demonstrated this to be an important fate process not currently considered in persistence assessments under REACH. The assessment is not in agreement with a recent regulatory decision in which phenanthrene was determined to be very persistent (vP). This assessment provides a case study for persistence assessment using the REACH ITS and highlights the need for improved guidance to improve consistency and predictability of assessments. This is particularly important for complex cases with data-rich chemicals, such as phenanthrene.

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“…These results therefore did not support the initial hypothesis that temperature dependency was a source of error leading to overestimation of degradation rates in soil. This might reflect existing adaptation of the microbial communities to the lower temperature range more typical in their original soil environment ( Brown et al, 2002 ).…”

Section: Resultsmentioning

confidence: 99%

Highly variable soil dissipation of metaldehyde can explain its environmental persistence and mobility

et al. 2021

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There are increasing concerns about the hazard posed to drinking water resources by persistent, mobile, and toxic (PMT) substances in the environment. For example, the extensive use of metaldehyde-based molluscicide to control slug populations in agricultural fields has frequently led to pollution of surface waters and contamination of drinking water at levels exceeding the statutory limit. Regulatory environmental fate assessments and studies in the literature did not predict that metaldehyde would be persistent in the environment, contrary to observations from monitoring schemes. To understand the reasons for this disparity, this study conducted a suite of degradation experiments, covering different soil types and environmentally realistic conditions in Northern Europe, and generated a distribution of DT 50 values for metaldehyde to examine whether degradation rates are underestimated by current risk assessments. The results were found to vary, showing DT 50 values ranging from 3.0 to 4150 days, which indicated that metaldehyde had the potential to become persistent. Lack of prior metaldehyde exposure, high moisture content, low temperature, and locally high metaldehyde concentration under pellets were identified as high-risk conditions for low pesticide biodegradation in UK soils.

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Is the Arrhenius-correction of biodegradation rates, as recommended through REACH guidance, fit for environmentally relevant conditions? An example from petroleum biodegradation in environmental systems

Cited by 22 publications

References 59 publications

Predicting Primary Biodegradation of Petroleum Hydrocarbons in Aquatic Systems: Integrating System and Molecular Structure Parameters using a Novel Machine‐Learning Framework

Predicting Primary Biodegradation of Petroleum Hydrocarbons in Aquatic Systems: Integrating System and Molecular Structure Parameters using a Novel Machine‐Learning Framework

Can a chemical be both readily biodegradable AND very persistent (vP)? Weight-of-evidence determination demonstrates that phenanthrene is not persistent in the environment

Highly variable soil dissipation of metaldehyde can explain its environmental persistence and mobility

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