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Surface-enhanced infrared absorption spectroscopy (SEIRAS) for biochemical analysis: Progress and perspective 用于生化分析的表面增强红外吸收光谱 (SEIRAS):进展与展望
IF 11.2 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-01-24 DOI: 10.1016/j.teac.2024.e00226
Jikai Wang , Zhulan Xie , Yanli Zhu , Pengfei Zeng , Suisui He , Jun Wang , Hua Wei , Cuiyun Yu

Advances in nanofabrication, instrumentation, miniaturization, and particularly the increased interdisciplinary dialogue between spectroscopists and their subscribers (biologists, environmentalists, and clinicians) have accelerated the application of surface-enhanced infrared absorption spectroscopy (SEIRAS) to biochemical analysis. This review outlines the basic principles of SEIRAS and its application to biochemical analysis in recent years. The review also comprehensively describes how SEIRAS can identify and quantify the biochemical activities of small molecules, biomacromolecules, and microorganisms, and summarizes the application trends of SEIRAS-based analytics and the value of SEIRAS information in modern biochemical applications and processes. Finally, it discusses the current challenges in SEIRAS-based biochemical analysis and proposes perspectives for further research in this field. Ultimately, the review aims to bridge the knowledge gap and promote further progress in SEIRAS-based biochemical analysis.

纳米制造、仪器、微型化方面的进步,特别是光谱学家与其用户(生物学家、环境学家和临床医生)之间跨学科对话的增加,加速了表面增强红外吸收光谱(SEIRAS)在生化分析中的应用。本综述概述了 SEIRAS 的基本原理及其近年来在生化分析中的应用。综述还全面介绍了 SEIRAS 如何识别和量化小分子、生物大分子和微生物的生化活性,并总结了基于 SEIRAS 分析的应用趋势以及 SEIRAS 信息在现代生化应用和过程中的价值。最后,它讨论了当前基于 SEIRAS 的生化分析所面临的挑战,并为该领域的进一步研究提出了展望。最终,本综述旨在弥补知识差距,促进基于 SEIRAS 的生化分析取得进一步进展。
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引用次数: 0
Recent advances in amino acid-based electrode fabrication strategies for enhanced electrochemical detection of metal ions 基于氨基酸的电极制造策略在增强金属离子电化学检测方面的最新进展
IF 11.2 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-01-13 DOI: 10.1016/j.teac.2024.e00225
Liang Wei Tang , Yatimah Alias , Prastika Krisma Jiwanti , Pei Meng Woi

This review article focuses on various fabrication strategies that utilize amino acids (AAs) in the creation of electrochemical sensors designed for the detection of heavy metals (HMs). AAs possess unique characteristics that make them valuable materials for sensing heavy metal ions (HMIs). The article delves into how AAs are incorporated into sensor designs and their interactions with HMIs. It places particular emphasis on a range of electrode modification methods, including drop casting, self-assembled monolayers (SAMs), electropolymerization, and molecularly imprinted polymers (MIPs). The article provides a comprehensive discussion of the preparation procedures, mechanisms, as well as the advantages and disadvantages associated with each approach. Furthermore, it explores the emerging insights into combining AAs with both organic and inorganic materials, highlighting their synergistic effects in sensing applications. Throughout the review, the challenges and opportunities in the development of electrochemical sensors are spotlighted, with the ultimate goal of advancing next-generation sensors that can make a meaningful impact on modern society.

这篇综述文章重点介绍了利用氨基酸(AAs)制造重金属(HMs)检测电化学传感器的各种制造策略。氨基酸具有独特的特性,使其成为传感重金属离子 (HMI) 的重要材料。文章深入探讨了如何将 AAs 纳入传感器设计及其与 HMIs 的相互作用。文章特别强调了一系列电极改性方法,包括滴铸、自组装单层 (SAM)、电聚合和分子印迹聚合物 (MIP)。文章全面论述了每种方法的制备程序、机制和优缺点。此外,文章还探讨了将 AA 与有机和无机材料相结合的新见解,强调了它们在传感应用中的协同效应。整篇综述突出强调了开发电化学传感器所面临的挑战和机遇,其最终目标是推动下一代传感器的发展,从而对现代社会产生有意义的影响。
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引用次数: 0
Techniques to characterize PFAS burden in biological samples: Recent insights and remaining challenges 表征生物样本中 PFAS 负担的技术:最新见解和依然存在的挑战
IF 11.2 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2023-12-26 DOI: 10.1016/j.teac.2023.e00224
Dilani Perera, Wesley Scott, Rachel Smolinski, Leenia Mukhopadhyay, Carrie A. McDonough

Per/polyfluoroalkyl substances (PFASs) are a class of ubiquitous environmental contaminants associated with several adverse health effects in humans and animals. Liquid chromatography with tandem mass spectrometry (LC-MS/MS) has traditionally been used to provide targeted quantitation of PFASs in biological samples. The analyte lists covered by targeted LC-MS/MS methods have grown rapidly as more PFASs have been discovered, though not all organofluorine is amenable to this technique. Integrative techniques measuring total organofluorine (TOF) coupled with LC-MS/MS analysis demonstrate that a significant fraction of TOF in biological samples is not captured by LC-MS/MS. This missing organofluorine may be contributed by PFASs that are not amenable to typical PFAS analytical conditions. Here, we review recent progress in quantifying total PFAS burden and identifying the compounds that comprise the unidentified organofluorine fraction (UOF), with a focus on human biological samples. While LC coupled to high-resolution mass spectrometry (LC-HRMS) has identified several novel PFASs in biological samples, these efforts do not appear to fully explain UOF content. Closing the UOF gap will necessitate the development of additional analytical approaches to broaden the chemical space captured by PFAS analysis. We highlight the use of additional chromatographic methods, advanced separation approaches such as ion mobility spectrometry (IMS), and continued improvement of HRMS semi-quantitation methods as promising paths forward to close the UOF gap.

全氟烷基/聚氟烃基物质(PFASs)是一类无处不在的环境污染物,对人类和动物的健康有多种不良影响。液相色谱-串联质谱法(LC-MS/MS)传统上用于对生物样本中的 PFASs 进行定向定量。随着越来越多的全氟辛烷磺酸被发现,LC-MS/MS 目标分析方法所涵盖的分析物清单也在迅速增加,但并非所有的有机氟都适用于这种技术。测量总有机氟(TOF)并结合 LC-MS/MS 分析的综合技术表明,LC-MS/MS 无法捕获生物样本中相当一部分的 TOF。这种缺失的有机氟可能是由不适合典型全氟辛烷磺酸分析条件的全氟辛烷磺酸造成的。在此,我们以人体生物样本为重点,回顾了在量化全氟辛烷磺酸总负荷和确定构成未识别有机氟部分(UOF)的化合物方面的最新进展。虽然液相色谱-高分辨质谱联用技术(LC-HRMS)已经在生物样本中鉴定出了几种新型全氟辛烷磺酸,但这些工作似乎并不能完全解释未识别有机氟成分的含量。要缩小 UOF 的差距,就必须开发更多的分析方法,以扩大 PFAS 分析所捕获的化学空间。我们强调使用更多的色谱法、离子迁移谱 (IMS) 等先进的分离方法,以及继续改进 HRMS 半定量方法,这些都是缩小 UOF 差距的可行途径。
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引用次数: 0
Recent developments and modification strategies in electrochemical sensors based on green nanomaterials for catechol detection 基于绿色纳米材料的儿茶酚检测电化学传感器的最新发展和改性策略
IF 11.2 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2023-12-14 DOI: 10.1016/j.teac.2023.e00223
Yusuf Osman Donar , Selva Bilge , Duygu Bayramoğlu , Beyza Özoylumlu , Samed Ergenekon , Ali Sınağ

Catechol (CC), an important phenolic compound, poses a significant threat to human health due to its toxicity and is widely available in natural water resources. In addition, CC is the most researched compound found in plenty of plant-based foods and beverages, including fruits, vegetables, grains, beans, and beer, tea, coffee, and wine. Therefore, developing effective, reliable, and robust methods for CC detection is critical. Among the sensor technologies; Electrochemical sensors are of great interest due to their simple equipment requirement, low cost, fast reaction possibilities, and fast response times. However, to produce more reliable and repeatable signals with high selectivity and sensitivity, it is crucial to modify the electrode surfaces, which are an indispensable element of electrochemical sensors. Recently, the use of various materials as electrode modification agents due to their superior chemical, physical and biological properties has significantly impacted electrochemical sensor and biosensor applications. In this review, the latest developments in the production of carbon material, conductive polymer, metal, and nanoparticle-based electrochemical sensors, and biosensors prepared by green synthesis techniques for CC detection within the scope of environmental monitoring applications are presented for the first time. It is important to synthesize materials with superior properties and critical significance in environmentally friendly applications by green principles. Within the scope of this study, environmental monitoring, the importance of CC detection, green synthesis methods, and barriers and solutions for CC sensing were examined, respectively. In addition to this, the role of the materials prepared by the green synthesis technique in the electrochemical detection of CC and the modification strategies are discussed in depth. Finally, opportunities and suggestions for advancing the field of next-generation sensor applications for CC detection are discussed.

儿茶酚(CC)是一种重要的酚类化合物,因其毒性而对人类健康构成重大威胁,并广泛存在于天然水资源中。此外,CC 还是大量植物性食品和饮料(包括水果、蔬菜、谷物、豆类以及啤酒、茶、咖啡和葡萄酒)中研究最多的化合物。因此,开发有效、可靠、稳健的 CC 检测方法至关重要。在各种传感器技术中,电化学传感器因其设备要求简单、成本低、反应速度快和响应时间短而备受关注。然而,要产生更可靠、可重复、高选择性和高灵敏度的信号,关键是要对电极表面进行改性,这是电化学传感器不可或缺的要素。最近,各种材料因其优越的化学、物理和生物特性而被用作电极改性剂,对电化学传感器和生物传感器的应用产生了重大影响。本综述首次介绍了在环境监测应用范围内,利用绿色合成技术制备碳材料、导电聚合物、金属和纳米粒子电化学传感器和生物传感器用于 CC 检测的最新进展。以绿色原则合成具有优异性能且在环境友好应用中具有重要意义的材料非常重要。本研究分别探讨了环境监测、CC 检测的重要性、绿色合成方法以及 CC 传感的障碍和解决方案。此外,还深入讨论了绿色合成技术制备的材料在 CC 电化学检测中的作用以及改性策略。最后,讨论了推进下一代 CC 检测传感器应用领域的机遇和建议。
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引用次数: 0
Magnetic covalent organic frameworks-based adsorbents in solid phase extraction of trace analytes in environmental samples 磁性共价有机骨架吸附剂在固相萃取环境样品中痕量分析物中的应用
IF 11.2 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2023-11-17 DOI: 10.1016/j.teac.2023.e00222
Qamar Salamat , Mustafa Soylak

Magnetic covalent organic frameworks (MCOFs) are a new class of emerging material as a super-effective magnetic adsorbent in analytical chemistry, particularly for environmental analysis, due to their outstanding features such as special morphology, cost-effective synthesis, chemical and thermal stability, a large specific surface area, high adsorption capacity, strong π-π interactions with analytes, uniform pore size, high reusability, and facile magnetic recovery. Based on the current research, after describing the diverse synthesis methods of MCOFs with various geometries that give them their unique physicochemical properties, this review emphasizes the great potential applications of MCOFs as an adsorbent in the magnetic solid phase extraction method in environmental analysis for pesticide residues, polycyclic aromatic hydrocarbons, drugs, endocrine-disrupting chemicals, heavy metal ions, marine biotoxin, and other environmental contaminants. In addition, difficulties and future prospects in the development of MCOFs for environmental analysis have been examined.

磁性共价有机框架(MCOFs)是一种新型的超有效的磁性吸附剂,在分析化学,特别是环境分析中,由于其突出的特点,如特殊的形态,经济高效的合成,化学和热稳定性,大的比表面积,高的吸附能力,强π-π相互作用与分析物,均匀的孔径,高的可重复使用性,和容易的磁回收。基于目前的研究现状,本文介绍了不同形状的MCOFs的合成方法,这些方法使MCOFs具有独特的物理化学性质,重点介绍了MCOFs作为吸附剂在磁性固相萃取法中对农药残留、多环芳烃、药物、内分泌干扰物、重金属离子、海洋生物毒素等环境污染物的环境分析中的巨大应用前景。此外,还分析了环境分析用MCOFs发展的难点和前景。
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引用次数: 0
Comprehensive review on sampling, characterization and distribution of microplastics in beach sand and sediments 海滩沙和沉积物中微塑料取样、表征和分布的综合综述
IF 11.2 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2023-11-10 DOI: 10.1016/j.teac.2023.e00221
M. Tiwari , S.K. Sahu , Tejas Rathod , R.C. Bhangare , P.Y. Ajmal , V. Pulhani , A. Vinod Kumar

Microplastics (MP) have become the major (or most important contributor) to the pollution of the environment in the recent decades. Millions of tonnes of plastic litter are transported into the marine environment annually, and these quantities are expected to increase continuously in the coming years. Monitoring of MPs in beach sand and sediment provides the information on extent of MPs pollution in the ocean, and also indicates consumption pattern of plastic at local, regional and global scale. This comprehensive review focuses on beach sand and sediment sampling, along with processes and methods for identification and quantification of MPs in these environmental media. Major analytical techniques for characterisation of MPs such as Fluorescence Microscopy, Fourier Transform IR spectroscopy (FTIR), Thermogravimetric Analysis (TGA), Chromatographic techniques (GC-MS/ HPLC), and Scanning Electron Microscopy (SEM) have been discussed in depth with respect to the analysis of beach sand and sediment samples. This review also provides a snapshot of environmental distribution of MPs in beach sand and sediments with respect to recent studies across the globe since 2017 and the challenges and future directives in the research area of MPs.

近几十年来,微塑料(MP)已成为环境污染的主要(或最重要的)贡献者。每年有数百万吨塑料垃圾进入海洋环境,预计这些数量在未来几年将继续增加。对海滩沙和沉积物中微塑料的监测提供了海洋微塑料污染程度的信息,也表明了当地、区域和全球范围内塑料的消费模式。这篇综合综述的重点是海滩沙和沉积物采样,以及在这些环境介质中鉴定和量化MPs的过程和方法。主要的分析技术,如荧光显微镜,傅里叶变换红外光谱(FTIR),热重分析(TGA),色谱技术(GC-MS/ HPLC),扫描电子显微镜(SEM)的特性已经深入讨论了有关沙滩和沉积物样品的分析。本综述还提供了自2017年以来全球最新研究中海滩沙和沉积物中MPs的环境分布概况,以及MPs研究领域的挑战和未来指示。
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引用次数: 0
Electrochemical paper-based analytical devices for environmental analysis: Current trends and perspectives 用于环境分析的电化学纸基分析装置:当前趋势和前景
IF 11.2 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2023-11-04 DOI: 10.1016/j.teac.2023.e00220
Waleed Alahmad , Ahmet Cetinkaya , S. Irem Kaya , Pakorn Varanusupakul , Sibel A. Ozkan

Environmental pollution is a serious problem that affects millions of people, and the demand for frequent quality monitoring is increasing. As a result, it has proven difficult to provide analytical platforms that combine high sensitivity, selectivity, and accuracy while maintaining low cost, portability, and user-friendliness. Electrochemical paper-based analytical devices (ePADs) are powerful analytical platforms that can satisfy these requirements. Paper is a superior substrate for electrochemical analysis due to its non-reactive backdrop, compatibility with both aqueous and non-aqueous analyses, and the capacity to quickly obtain a sophisticated device with high sensitivity and functionality in just a few steps. In this review, the focus is on the most recent applications of ePADs for the assessment of pollutants published in the past five years. ePADs are used for the sensitive and selective analysis of pollutants in different environmental matrices. Furthermore, the effects of nanomaterials on the fabrication of electrodes on paper-based substrates as well as on the sensitivity of electrochemical measurements, are discussed in this review. Finally, the possibility of using these ePADs in industrial and commercial applications is discussed from the authors’ point of view.

环境污染是影响千百万人的严重问题,对频繁质量监测的需求日益增加。因此,在保持低成本、便携性和用户友好性的同时,提供高灵敏度、选择性和准确性的分析平台已被证明是困难的。电化学纸基分析装置(ePADs)是满足这些要求的强大分析平台。纸是电化学分析的优良衬底,因为它的非反应性背景,与水和非水分析的兼容性,以及在几个步骤内快速获得具有高灵敏度和功能的复杂设备的能力。本文对近五年来ePADs在污染物评价中的最新应用进行了综述。ePADs用于不同环境基质中污染物的敏感和选择性分析。此外,本文还讨论了纳米材料对纸基电极制作的影响以及对电化学测量灵敏度的影响。最后,从作者的角度讨论了这些epad在工业和商业应用中的可能性。
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引用次数: 0
Chiral purification by enantioselective extraction: Principles and recent development 对映选择萃取手性纯化:原理及最新进展
IF 11.2 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2023-10-30 DOI: 10.1016/j.teac.2023.e00219
Elahe Naghdi , Reyhane Ahmadloo , Mehrdad Shadi , Griffin E. Moran

Due to its crucial importance in many industries, such as food, agrochemicals, and pharmaceuticals, chirality has gained increasing attention in recent decades. To address the need for a pure enantiomer, several methods have been developed such as crystallization, chromatographic approaches, kinetic resolution enzymatic methods, microbiological methods, and extraction. This review provides an overview of enantioselective extraction methods as being flexible, cost-effective, and suitable for large-scale production. Solid-liquid extraction (SLE) and liquid-liquid extraction (LLE) are the most used chiral extraction methods, showing significant benefits and leading to the widespread application of the method at large scale for industrial purposes. Several novel methods have been developed over the last few years to perform LLE and SLE, however, the traditional methods are still widely utilized. Throughout the paper monophasic recognition chiral extraction, biphasic recognition chiral extraction, and multi-stage LLE techniques, as well as the magnetic, molecularly imprinted polymer, metal-organic frameworks-based SLE methods are discussed as the most frequently used methods in the context of both benefits and limitations. Although there have been several publications on enantioselective LLE and SLE, no comprehensive review has been reported during the past few years. In this study, different categories and applications of both techniques have been considered.

由于手性在食品、农用化学品和制药等许多行业中具有至关重要的作用,近几十年来,手性得到了越来越多的关注。为了满足对纯对映体的需求,已经开发了几种方法,如结晶法、色谱法、动力学解析法、酶解法、微生物法和提取法。本文综述了几种灵活、经济、适合大规模生产的对映选择性提取方法。固液萃取(SLE)和液液萃取(LLE)是最常用的手性萃取方法,具有显著的优势,并导致该方法在工业上的大规模应用。在过去的几年中,已经开发了几种新的方法来执行LLE和SLE,然而,传统的方法仍然被广泛使用。在整个论文中,单相识别手性提取、双相识别手性提取和多阶段LLE技术,以及磁性、分子印迹聚合物、基于金属有机框架的SLE方法作为最常用的方法,在优点和局限性的背景下进行了讨论。虽然有一些关于对映选择性LLE和SLE的出版物,但在过去几年中没有全面的综述报道。在本研究中,考虑了这两种技术的不同类别和应用。
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引用次数: 0
Nonmetal-doped quantum dot-based fluorescence sensing facilitates the monitoring of environmental contaminants 基于非金属掺杂量子点的荧光传感有利于环境污染物的监测
IF 11.2 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2023-10-21 DOI: 10.1016/j.teac.2023.e00218
Hong Wu, Jian-Hong Li, Wei-Cheng Yang, Ting Wen, Jie He, Yang-Yang Gao, Ge-Fei Hao, Wen-Chao Yang

Environmental pollution is the main threatening factor to human health, survival and global sustainable development. Achieving rapid, sensitive detection of contaminants is extremely important for timely environmental pollution monitoring and treatment. Quantum dot (QD) probes have become a common method for the detection of contaminants. In particular, the development of QDs based on nonmetallic element-doped carbon materials QDs and other nonmetallic doped Si QDs, MoOx QDs, MoS2 QDs, and MXene QDs provides a more convenient and effective means of detecting pollutants. However, a comprehensive summary of the application of nonmetal-doped QD probes for contaminant detection is still lacking. To address this issue, in the present work we mainly categorize different nonmetal-doped QDs into “top-down” and “bottom-up” strategies based on their preparation methods. QD probes based on nonmetal doping have unique optical properties, such as a narrow excitation spectrum, optical tunability, high fluorescence quantum yield (QY), and fluorescence stability. Fluorescence sensing technology can be realized through sensing mechanisms such as fluorescence/dynamic quenching, photoinduced electron transfer (PET), internal filtering effect (IFE), and fluorescence resonance energy transfer (FRET). Considering the ease of implementation, operation, and immediate response of fluorescence sensing technology, it has been widely used in research for the detection of environmental pollutants. We have found that fluorescence sensing technology based on nonmetal-doped QD probes can achieve rapid detection of pollutants (such as heavy metals in water or food, harmful nonmetallic ions, organic pesticides, and antibiotic residues), and its limit of detection (LOD) can reach the picomolar level for trace detection. In addition, the fluorescence sensing technology of nonmetallic QD probes can be combined with smart devices to realize real-time monitoring of pollutants. Our work provides additional strategies for developing nonmetal-doped QD probe-based detection of contaminants and advancing future environmental governance.

环境污染是威胁人类健康、生存和全球可持续发展的主要因素。实现污染物的快速、灵敏检测对于及时监测和治理环境污染至关重要。量子点(QD)探针已成为污染物检测的常用方法。特别是基于非金属元素掺杂碳材料量子点和其他非金属掺杂Si量子点、MoOx量子点、MoS2量子点和MXene量子点的量子点的发展,为污染物的检测提供了更方便和有效的手段。然而,对非金属掺杂量子点探针在污染物检测中的应用还缺乏全面的总结。为了解决这一问题,在本工作中,我们主要根据其制备方法将不同的非金属掺杂量子点分为“自上而下”和“自下而上”两种策略。基于非金属掺杂的量子点探针具有激发光谱窄、光可调谐、荧光量子产率高、荧光稳定性好等独特的光学性质。荧光传感技术可通过荧光/动态猝灭、光致电子转移(PET)、内滤效应(IFE)、荧光共振能量转移(FRET)等传感机制实现。由于荧光传感技术易于实现、操作简便、响应迅速等优点,在环境污染物检测的研究中得到了广泛的应用。我们发现基于非金属掺杂QD探针的荧光传感技术可以实现对污染物(如水或食物中的重金属、有害非金属离子、有机农药、抗生素残留)的快速检测,其检出限(LOD)可以达到痕量检测的皮摩尔水平。此外,非金属量子点探针的荧光传感技术可以与智能设备相结合,实现对污染物的实时监测。我们的工作为开发基于非金属掺杂QD探针的污染物检测和推进未来的环境治理提供了额外的策略。
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引用次数: 0
Nontarget screening strategies for PFAS prioritization and identification by high resolution mass spectrometry: A review 非靶点筛选策略对PFAS的优先级和鉴定的高分辨率质谱:综述
IF 11.2 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2023-10-14 DOI: 10.1016/j.teac.2023.e00216
Boris Bugsel , Jonathan Zweigle , Christian Zwiener

Per- and polyfluoroalkyl substances (PFAS) are a large group of more than 4700 individual compounds which are applied in a wide range of applications in industrial processes and consumer products due to their water and oil repellency and surfactant properties. Concerns on PFAS arise from the very high stability, bioaccumulation potential and toxicity and the ubiquitous occurrence in humans, animals, soils, sediments, surface, ground and drinking waters. Advanced analytical methods are needed to investigate the input and fate of PFAS and potential transformation products in the environment and the exposure pathways for humans and wildlife. Therefore, nontarget screening (NTS) methods by high-resolution mass spectrometry (HRMS) coupled to chromatography are often applied to meet the analytical challenges arising from the high number and chemical diversity of individual compounds, the lack of authentic standards and information on identity and application areas. In this critical review we discuss the recent advances of NTS workflows applied to detect and identify PFAS based on the intrinsic information contained in data from chromatography and HRMS data on the MS1 and MS2 level. This includes retention time and peak shape characteristics, data on accurate mass and isotopologues, and high-resolution mass fragments. Successful approaches for prioritization and identification of PFAS are mostly based on mass defect filtering, Kendrick mass defect analysis, mass matches with suspect lists, assignment of chemical formulas, mass fragmentation patterns, diagnostic fragments and fragment mass differences. So far NTS approaches for PFAS were able to identify more than 750 compounds. However, still limited applicability of chromatography and ionization methods and limited mass resolving power and accuracy largely restrict a complete identification of a high number of unknown PFAS in complex samples from environmental compartments and biota.

全氟烷基和多氟烷基物质(PFAS)是一个由4700多种单独化合物组成的大组,由于其防水、防油和表面活性剂特性,在工业过程和消费品中应用广泛。对全氟辛烷磺酸的关注源于其极高的稳定性、生物累积潜力和毒性,以及在人类、动物、土壤、沉积物、地表水、地下水和饮用水中普遍存在的情况。需要先进的分析方法来研究PFAS和潜在转化产物在环境中的输入和命运,以及人类和野生动物的暴露途径。因此,通过高分辨率质谱(HRMS)和色谱相结合的非靶标筛选(NTS)方法经常被应用于应对由于单个化合物的数量和化学多样性高、缺乏真实的标准以及关于身份和应用领域的信息而产生的分析挑战。在这篇批评性综述中,我们讨论了NTS工作流程的最新进展,该工作流程基于色谱数据中包含的内在信息以及MS1和MS2水平上的HRMS数据来检测和鉴定PFAS。这包括保留时间和峰形状特征、准确质量和等拓扑结构的数据以及高分辨率质量碎片。PFAS的优先排序和识别的成功方法主要基于质量缺陷过滤、Kendrick质量缺陷分析、与可疑列表的质量匹配、化学配方的分配、质量碎片模式、诊断碎片和碎片质量差异。到目前为止,全氟辛烷磺酸的NTS方法能够鉴定出750多种化合物。然而,色谱和电离方法的适用性仍然有限,质量分辨能力和准确性也有限,这在很大程度上限制了从环境区室和生物群的复杂样品中完全鉴定大量未知PFAS。
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引用次数: 1
期刊
Trends in Environmental Analytical Chemistry
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