Emerging Contaminants in Sediments as Markers of Anthropogenic Inputs in Santos Estuarine System: Analytical Method and Occurrence Data

The occurrence of emerging contaminants (ECs) in the aquatic systems under influence of urban areas have been considered as an environmental marker of anthropogenic contamination. In this study, 10 ECs were investigated in sediment samples from Santos Bay using a quick, easy, cheap, effective, rugged, and safe method with determination by liquid chromatography tandem mass spectrometry. The method showed acceptable accuracy (51-116%) and precision (relative standard deviation (RSD) ≤ 9), limits of quantification in ng g-1 levels and matrix effect lower than 29%. Environmental occurrence of benzophenone-3, caffeine, ketoconazole and triclocarban was detected in two campaigns (2015 and 2019), with concentrations ranging from < 1 to 470 ng g-1. Caffeine and triclocarban were the most abundant target chemicals occurring in up to 71 and 100% of the sample point, respectively. The results indicated that ECs in sediment samples came from diffused sources as the discharge of treated and untreated sewage in the estuary.受城市区域影响的水生系统中新兴污染物（emerging contaminants, ECs）的赋存情况，已被视为人为污染的环境标志物。本研究针对桑托斯湾（Santos Bay）的沉积物样品，采用快速、简便、廉价、高效、稳定且安全的前处理方法，结合液相色谱-串联质谱法对10种新兴污染物开展检测分析。该方法表现出可接受的准确性（51%~116%）与精密度（相对标准偏差（relative standard deviation, RSD）≤9），定量限处于纳克每克（ng g⁻¹）级别，基质效应低于29%。两次采样活动（2015年与2019年）中均检出二苯甲酮-3（benzophenone-3）、咖啡因（caffeine）、酮康唑（ketoconazole）与三氯卡班（triclocarban），其浓度范围为<1至470 ng g⁻¹。咖啡因与三氯卡班为丰度最高的目标化合物，分别在最多71%与100%的采样点中被检出。研究结果表明，沉积物样品中的新兴污染物来自面源污染，即河口区域经处理与未处理污水的排放。