高通量生物降解筛选测试可优先考虑和评估化学生物降解性,Environmental Science & Technology

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高通量生物降解筛选测试可优先考虑和评估化学生物降解性
Environmental Science & Technology ( IF 10.8 ) Pub Date : 2017-05-09 00:00:00 , DOI: 10.1021/acs.est.7b00806
Timothy J. Martin ₁ , Andrew K. Goodhead ₁ , Kishor Acharya ₁ , Ian M. Head ₁ , Jason R. Snape _{2,

3} , Russell J. Davenport ₁

Affiliation

使用低通量系统限制了对污染物的环境生物降解性的综合评估。这些都是经济合作与发展组织（OECD）的就绪生物降解性测试（RBT）的缩影，其中可以使用一种来自环境的样本来评估化学品在该环境中易于生物降解或普遍存在的能力。这忽略了任何环境中固有的相当大的时空微生物变化。结果会导致生物降解性或持久性的名称不正确。RBT在评估化学品的生物降解命运以及推断环境风险评估中的暴露浓度方面至关重要。我们开发了一种比色测定法，用于在高通量生物降解筛选测试（HT-BST）中对合适的芳香族化合物进行可靠的定量。HT-BST根据分配的相对生物降解性和定量结构-活性关系（QSAR）模型输出，可以准确区分和区分一系列结构多样的芳族化合物。进行了约20000次单独的生物降解测试，将类似结果返回到常规RBT。取代基的结构和位置对生物降解潜力的影响显示出显着的相关性（HT-BST根据分配的相对生物降解性和定量结构-活性关系（QSAR）模型输出，可以准确区分和区分一系列结构多样的芳族化合物。进行了约20000次单独的生物降解测试，将类似结果返回到常规RBT。取代基的结构和位置对生物降解潜力的影响显示出显着的相关性（HT-BST根据分配的相对生物降解性和定量结构-活性关系（QSAR）模型输出，可以准确区分和区分一系列结构多样的芳族化合物。进行了约20000次单独的生物降解测试，将类似结果返回到常规RBT。取代基的结构和位置对生物降解潜力的影响显示出显着的相关性（P <0.05），对苯酚环第3位的取代基具有Hammett常数。HT-BST可能有助于对据报道在欧洲制造的10万种化学药品进行快速筛选，并减少对更高级别的命运和效应测试的需求。

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High Throughput Biodegradation-Screening Test To Prioritize and Evaluate Chemical Biodegradability

Comprehensive assessment of environmental biodegradability of pollutants is limited by the use of low throughput systems. These are epitomized by the Organisation for Economic Cooperation and Development (OECD) Ready Biodegradability Tests (RBTs), where one sample from an environment may be used to assess a chemical’s ability to readily biodegrade or persist universally in that environment. This neglects the considerable spatial and temporal microbial variation inherent in any environment. Inaccurate designations of biodegradability or persistence can occur as a result. RBTs are central in assessing the biodegradation fate of chemicals and inferring exposure concentrations in environmental risk assessments. We developed a colorimetric assay for the reliable quantification of suitable aromatic compounds in a high throughput biodegradation screening test (HT-BST). The HT-BST accurately differentiated and prioritized a range of structurally diverse aromatic compounds on the basis of their assigned relative biodegradabilities and quantitative structure–activity relationship (QSAR) model outputs. Approximately 20 000 individual biodegradation tests were performed, returning analogous results to conventional RBTs. The effect of substituent group structure and position on biodegradation potential demonstrated a significant correlation (P < 0.05) with Hammett’s constant for substituents on position 3 of the phenol ring. The HT-BST may facilitate the rapid screening of 100 000 chemicals reportedly manufactured in Europe and reduce the need for higher-tier fate and effects tests.

更新日期：2017-05-27

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