Improved prediction of pharmaceutical concentrations in wastewater using numerical correction factors applied to prescribing information

IF 3.5 4区 环境科学与生态学 Q3 ENGINEERING, ENVIRONMENTAL
Bruce Petrie and Elise Cartmell
{"title":"Improved prediction of pharmaceutical concentrations in wastewater using numerical correction factors applied to prescribing information","authors":"Bruce Petrie and Elise Cartmell","doi":"10.1039/D6EW00193A","DOIUrl":null,"url":null,"abstract":"<p >Pharmaceuticals and metabolites excreted by humans are a threat to aquatic ecosystems globally. Gaps exist in environmental data sets which can be filled by predicting concentrations using prescribing data available at suitable spatial (<em>e.g.</em>, wastewater treatment plant [WWTP] catchment area) and temporal scale (<em>e.g.</em>, monthly). The aim was to improve the accuracy of predicted pharmaceutical concentrations in untreated influent wastewater. A conventional prediction approach of applying human excretion information to prescribing data found three of 12 analytes (metformin, desmethylvenlafaxine and clarithromycin) had acceptable predictions (within ±50% of their measured concentration) at three WWTPs of varying size. Several analytes had systematic underestimated predictions across WWTPs related to low analyte excretion rates. Laboratory-scale gravity sewer experiments revealed an important contributor was glucuronide metabolite deconjugation back to their parent pharmaceutical which could not be accounted for using excretion information. Therefore, numerical correction factors were derived (0.027–0.86) from prescribing and wastewater data to establish the fraction of prescribed pharmaceuticals found in wastewater. These account for changes between prescription of a pharmaceutical and its presence in wastewater (<em>e.g.</em>, human metabolism and in-sewer transformation) without the need to quantify and correct for them individually. This enabled acceptable predictions for another six analytes (carbamazepine, propranolol, venlafaxine, fluoxetine, norfluoxetine and desmethylclarithromycin). Therefore, incorporating this approach in prediction models for treated effluents and river water can improve their accuracy for improved risk assessment. This is key to identify where subsequent technological or ‘upstream’ intervention is needed to target pharmaceutical environmental impacts.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 6","pages":" 1740-1753"},"PeriodicalIF":3.5000,"publicationDate":"2026-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2026/ew/d6ew00193a?page=search","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Environmental Science: Water Research & Technology","FirstCategoryId":"93","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2026/ew/d6ew00193a","RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, ENVIRONMENTAL","Score":null,"Total":0}
引用次数: 0

Abstract

Pharmaceuticals and metabolites excreted by humans are a threat to aquatic ecosystems globally. Gaps exist in environmental data sets which can be filled by predicting concentrations using prescribing data available at suitable spatial (e.g., wastewater treatment plant [WWTP] catchment area) and temporal scale (e.g., monthly). The aim was to improve the accuracy of predicted pharmaceutical concentrations in untreated influent wastewater. A conventional prediction approach of applying human excretion information to prescribing data found three of 12 analytes (metformin, desmethylvenlafaxine and clarithromycin) had acceptable predictions (within ±50% of their measured concentration) at three WWTPs of varying size. Several analytes had systematic underestimated predictions across WWTPs related to low analyte excretion rates. Laboratory-scale gravity sewer experiments revealed an important contributor was glucuronide metabolite deconjugation back to their parent pharmaceutical which could not be accounted for using excretion information. Therefore, numerical correction factors were derived (0.027–0.86) from prescribing and wastewater data to establish the fraction of prescribed pharmaceuticals found in wastewater. These account for changes between prescription of a pharmaceutical and its presence in wastewater (e.g., human metabolism and in-sewer transformation) without the need to quantify and correct for them individually. This enabled acceptable predictions for another six analytes (carbamazepine, propranolol, venlafaxine, fluoxetine, norfluoxetine and desmethylclarithromycin). Therefore, incorporating this approach in prediction models for treated effluents and river water can improve their accuracy for improved risk assessment. This is key to identify where subsequent technological or ‘upstream’ intervention is needed to target pharmaceutical environmental impacts.

Abstract Image

应用数值校正因子对处方信息进行废水中药物浓度的改进预测
人类排泄的药物和代谢物对全球水生生态系统构成威胁。环境数据集中存在空白,可以通过使用适当空间(例如,污水处理厂集水区)和时间尺度(例如,每月)的处方数据来预测浓度来填补。目的是提高未经处理的进水废水中药物浓度预测的准确性。将人类排泄信息应用于处方数据的传统预测方法发现,在三个不同大小的污水处理厂,12种分析物中有3种(二甲双胍、去甲基文拉法辛和克拉霉素)具有可接受的预测(在其测量浓度的±50%以内)。一些分析人员系统性地低估了污水处理厂与低分析物排泄率相关的预测。实验室规模的重力下水道实验揭示了一个重要的贡献是葡萄糖醛酸代谢物解结回母体药物,这不能用排泄信息来解释。因此,从处方和废水数据中导出数值校正因子(0.027-0.86),建立废水中处方药的含量。这些方法解释了药物处方与其在废水中存在之间的变化(例如,人体代谢和下水道内转化),而无需单独量化和纠正它们。这使得对另外六种分析物(卡马西平、心得安、文拉法辛、氟西汀、去甲氟西汀和去甲基克拉霉素)的预测可以接受。因此,将这种方法纳入处理过的污水和河水的预测模型可以提高其准确性,从而改进风险评估。这是确定后续技术或“上游”干预需要针对制药环境影响的关键。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
Environmental Science: Water Research & Technology
Environmental Science: Water Research & Technology ENGINEERING, ENVIRONMENTALENVIRONMENTAL SC-ENVIRONMENTAL SCIENCES
CiteScore
8.60
自引率
4.00%
发文量
206
期刊介绍: Environmental Science: Water Research & Technology seeks to showcase high quality research about fundamental science, innovative technologies, and management practices that promote sustainable water.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信
小红书