Advanced Technologies for Streamlining Water Testing

Streamline water testing: Advanced technologies for productive and compliant lab operations Environmental Introduction Freshwater ecosystems are essential for drinking water, domestic use and industrial purposes. However, they are severely threatened by agricultural runoff, industrial discharges and untreated sewage, harming human health, biodiversity and socioeconomic growth.1,2,3 Comprehensive water-quality testing is essential to detect pollutants, trace their sources, as well develop strategies to reduce contamination and protect fragile ecosystems. This involves testing for various contaminants, including heavy metals, organic compounds, pesticides and emerging pollutants like PFAS and microplastics.4 These efforts ensure that emerging threats to water quality are identified and managed promptly. However, each category of contaminants presents unique challenges and requires specific analytical approaches to detect and quantify them accurately. As water-testing laboratories experience increasing workloads, there is a growing need for consolidated methods and automated solutions. Investing in and adopting innovative analytical technologies is crucial for modern laboratories to efficiently meet growing demand while maintaining high water-quality standards and protecting public health and the environment.Increasing demand for water testing In response to escalating concerns over the impact of various chemicals on water resources, regulatory standards are quickly becoming more expansive and rigorous, demanding heightened levels of precision and sensitivity in water-testing methodologies. As a result, there is a growing emphasis on advanced technologies that can detect these contaminants at trace levels, ensuring compliance with evolving regulations. Several recent regulatory changes around the world have impacted the demand for water testing. These regulatory changes highlight the global trend towards more comprehensive water quality monitoring and the necessity for enhanced testing capabilities. However, meeting these regulatory demands presents significant challenges for many environmental laboratories, from increasing workloads and qualified staff shortages to the financial burden of technology and infrastructure requirements (Figure 1). The detection of emerging contaminants (EC), which often require specialized and sensitive analytical techniques capable of screening for and/or elucidating unknown compounds, adds another layer of complexity to the testing process. A key strategy for laboratories involves the adoption of automated and consolidated methods that enhance productivity, reduce operational costs and optimize labor efficiency. These technologies enable the detection of a wide range of contaminants in a single analysis while maintaining high standards of accuracy and efficiency. What tests are involved in water analysis? Assessing water quality involves evaluating a range of parameters, which can be categorized into physical, biological and chemical factors. Various techniques are used to measure these chemical parameters (see Figure 2). For instance, ion chromatography (IC) detects inorganic ions and polar organic compounds while inductively-coupled plasma mass spectrometry (ICP-MS) identifies and quantifies metal contamination. Gas chromatography mass spectrometry (GC-MS) and liquid chromatography mass spectrometry (LC-MS) are essential for identifying and quantifying organic contaminants (i.e., pesticides, PAHs, PCBs) and emerging contaminants like PFAS. These advanced analytical techniques along with dedicated sample-preparation protocols, provide the precision and sensitivity required for thorough water-quality assessment, ensuring that all potential contaminants are accurately detected and managed. Figure 1. Key challenges for environmental laboratories. Regulatory changes in 2024 The US Environmental Protection Agency (EPA): Introduced maximum contaminant levels (MCLs) for six PFAS in drinking water: PFOA, PFOS, PFHxS, PFNA and HFPO-DA.5 California: Lowered the allowable level of hexavalent chromium under EPA Method 218.7, requiring more rigorous testing procedures.6 European Union (EU): Revised its Drinking Water Directive to address emerging contaminants such as PFAS and microplastics.7,8,9 Challenges within water testing laboratories Limited qualified personnel Rapidly evolving regulations Outdated testing techniques Cost contraints Inefficient workflows Detection of emerging contaminants 2Figure 2. A comprehensive framework integrating organic, inorganic, and wet chemistry labs, utilizing techniques like GC/GC-MS, LC/LC-MS, IC/ IC-MS and ICP-MS to identify organic, ionic and metal contaminants, with support from cutting-edge software and service solutions to optimize analysis and safeguard water quality. Insight into water analysis techniques Each method to detect and quantify water contaminants has specific applications and advantages, making it crucial to choose the right tool for the job (Table 1). As a market leader in water testing, Thermo Fisher Scientific™ offers a broad portfolio of cutting-edge, automated instrumentation and consolidated analytical platforms designed specifically for environmental testing. These technologies streamline sample processing and analysis, improving data quality and reliability. By integrating Thermo Fisher’s advanced systems, environmental laboratories can significantly enhance their testing capabilities, increasing sample throughput without compromising accuracy. Investing in these automated solutions not only boosts productivity but also prepares laboratories to effectively manage future regulatory changes and emerging contaminants. Analysis of emerging chemical contaminants Emerging contaminants are synthetic or naturally occurring chemicals that are not routinely monitored in the environment but are increasingly concerning due to their persistence and potential ecological and human health effects.10 Some example contaminants include PFAS, pharmaceuticals and personal care products (PPCPs), plasticizers, surfactants, fire retardants, nanomaterials and microplastics. LC-MS and GC-MS systems are ideal for both qualitative and quantitative analysis of emerging organic contaminants, combining chromatography’s separation capabilities with the sensitive detection of mass spectrometry for high specificity and sensitivity. In the case of emerging contaminants, it may be necessary to use instruments that can screen a wide array of known compounds in addition to identifying unknown analytes present in the sample. The high-resolution accuratemass (HRAM) spectrometers are particularly valuable for these studies due to their exceptional resolving power and precise low parts-per-million (ppm) mass accuracy. In this respect, Orbitrap technology from Thermo Fisher offers the highest levels of accuracy and resolution. In combination with the Thermo Scientific™ Compound Discoverer™ Software, this advanced HRAM MS technology provides a powerful tool for screening and investigating unknowns in both GC and LC separations (Figure 3). Key workflow solutions, from sample preparation to reporting, significantly enhance monitoring studies. Notably, the Thermo Scientific™ Orbitrap Exploris™ 120 mass spectrometer and the Thermo Scientific™ Orbitrap Exploris™ GC series provide unparalleled accuracy, sensitivity and versatility, making them ideal for comprehensive analysis and confident identification of contaminants in complex samples.11,12,13 GC/GC-MS LC/LC-MS ICP-OES ICP-MS DIA IC/IC-MS Serv ice so lutions Table 1. Comparison of analytical techniques for water quality testing parameters. Wet chemistry with DIA IC/IC-MS GC/GC-MS LC/LC-MS ICP-OES/ ICP-MS Water turbidity Odor and taste Inorganic anions/cations Trace metals Disinfection byproducts Organic contaminants Polar organic Emerging contaminants 3Elemental composition Triple quadrupole LC-MS/MS systems, such as the Thermo Scientific™ TSQ Altis™ Plus, and GC-MS/MS systems, like the Thermo Scientific™ TSQ™ 9610, provide analysts with exceptional selectivity and sensitivity. These instruments are particularly effective for target analyte monitoring at trace levels across a broad spectrum of contaminants.14,15,16 For the identification of microplastics, commonly employed techniques are pyrolysis-gas chromatography-mass spectrometry (Py-GC-MS) and Fourier-transform infrared (FTIR) spectroscopy. Py-GC-MS excels in identifying polymer types through chemical breakdown, while FTIR offers detailed structural information about the polymers. Together, these techniques provide a comprehensive understanding of microplastic composition and distribution, aiding in effective environmental monitoring and management. Analysis of volatile/semi-volatile organic compounds Volatile organic compounds (VOCs) and semi-volatile organic compounds (SVOCs) are common contaminants that are closely monitored in water samples. Many of these substances Figure 3. Untargeted Iodo-DBPs (Disinfection By-Products) with no match in MS libraries, identified and confirmed with Orbitrap HRAM GC-MS and Compound Discoverer workflow. Confirmation using CI Identify Library Search Deconvolution Refine Full Scan with HRAM Detect Ethyl β-iodopropionate 4are well known and heavily regulated due to their potential to cause serious health issues, including cancer, liver damage and respiratory problems. VOCs and SVOCs can be found in a diverse array of sources, such as solvents, monomers, aromatics, mineral oils, residual pesticides, polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), disinfection by-products, flame retardants and dioxins. GC and GC-MS are the primary techniques for analyzing VOCs and SVOCs, offering high sensitivity, specificity and the ability to provide both qualitative and quantitative data. Thermo Fisher Scientific provides an exceptional range of GC-based instruments, each tailored to meet various analytical requirements. Thermo Scientific single- and triple-quadrupole mass spectrometers are equipped with user-friendly Thermo Scientific™ NeverVent™ technology, which simplifies and accelerates maintenance procedures. They feature a new detector with an extended lifespan and a broader linear range, enabling them to handle a wider concentration range of contaminants. Additionally, these instruments include Thermo Scientific™ SmartTune™ and Thermo Scientific™ SmartStatus™ software to monitor consumable usage and reduce unnecessary downtime. These innovations optimize sample throughput and enhance productivity and return on investment. The TSQ 9610 Triple Quadrupole GC-MS/MS system delivers femtogram-level sensitivity for target analysis, thanks to the increased ionization efficiency provided by its Advanced Electron Ionization (AEI) technology. This ensures users consistently meet and exceed required detection limits. The Thermo Scientific™ ISQ™ 7610 Single Quadrupole GC-MS system is the workhorse for routine SIM and full scan acquisition, particularly for VOC analysis, ensuring adherence to official guidelines. The Orbitrap Exploris HRAM GC-MS combines high mass resolution (up to 30,000, 60,000, or 240,000 resolving power), exceptional mass accuracy and high sensitivity. It supports full scan acquisition and MS/MS capabilities, with advanced data processing for comprehensive targeted and untargeted analysis. This makes it ideal for detailed sample elucidation. Anion and cation analysis Proper monitoring, analysis and control of cations and anions are crucial for effective wastewater treatment and environmental protection. These ions occur naturally and as a result of various anthropogenic activities, such as industrial discharge and agricultural runoff. Improper management of anions and cations can disrupt natural ecosystems, corrode infrastructure and cause health issues. Ion chromatography (IC) is the primary technique for the precise and selective determination of anions and cations in water samples. IC allows for the separation and quantification of ions based on their charge and interaction with the stationary phase of the column through ion-exchange, delivering accurate results even at trace levels reproducibly. Thermo Fisher Scientific offers a comprehensive range of IC systems designed for demanding analytical environments that require precise ion analysis (Figure 4). The flexible Thermo Scientific™ Dionex™ ICS-6000 HPIC™ System can be configurable to different applications, enabling for the development and application of multiple methods for a single sample or different samples simultaneously. Engineered for maximum productivity, the robust Thermo Scientific™ Dionex™ Inuvion™ IC System features advanced pump technology and electronics, ensuring day-to-day consistency. The Thermo Scientific™ Dionex™ Integrion™ HPIC™ System is an ideal solution for routine analysis, delivering fast results without compromising data quality. Trace and heavy metal analysis The analysis of trace and heavy metals in drinking water and wastewater is essential, as each metal has unique characteristics with varying impacts on human health and the environment. Careful monitoring is crucial to ensure safety and regulatory compliance. Inductively coupled plasma-optical emission spectroscopy (ICPOES) and ICP-MS are robust methods to analyze trace and heavy metals. These techniques excel in detecting minute quantities of a broad spectrum of elements, making them essential for the analysis of metals such as lead, mercury, arsenic and cadmium Figure 4. IC chromatograms of hexavalent chromium in (A) 0.1 ug/L standard in DI water, (B) High Ionic Water (HIW), (C) Sample B with 0.1 ug/L chromate added, and (D) municipal drinking water sample. 5at trace concentrations.17 Thermo Fisher Scientific has developed several advanced technologies for metals analysis with extremely high sensitivity and accuracy, suitable for diverse environmental testing applications. The Thermo Scientific™ iCAP™ PRO Series ICP-OES is a compact, benchtop instrument that enables simultaneous analysis of trace elements across diverse sample types. It features userfriendly software with pre-optimized method conditions, delivering multi-element detection capabilities that surpass those of singleelement atomic absorption systems (AAS). Additionally, the Thermo Scientific™ iCAP™ MSX Single Quadrupole ICP-MS combines operational simplicity with exceptional robustness and stability, facilitating reliable daily analysis of various matrices without drift, QC failures, or the need to re-run samples. The Thermo Scientific™ iCAP™ MTX Triple Quadrupole ICP-MS is an ideal solution for laboratories facing increasingly stringent detection limits, larger sample volumes and a need for high data quality from single-sample runs. It combines the benefits of a true triple quadrupole configuration with a simplified approach to interference removal, providing a unique blend of capabilities to address the most demanding analytical challenges. Wet chemistry Wet chemistry is used to assess basic water quality measures, such as pH, temperature, conductivity and other physical properties. Thermo Scientific™ pH meters accurately measure the acidity and alkalinity of water, ensuring accurate characterization of water quality. Multiparameter meters enable simultaneous measurement of multiple parameters such as pH, conductivity, dissolved oxygen and turbidity, providing comprehensive insights into water composition. Turbidity meters measure the clarity of water by detecting suspended particles, essential for assessing water quality and transparency. Additionally, the Thermo Scientific™ Gallery™ Discrete Analyzer automates wet chemistry analysis, streamlining routine water testing processes with high throughput and accuracy. Thermo Scientific™ Discrete Analyzers are fully automated, multiple-parameter systems capable of conducting several tests in parallel, significantly improving throughput and efficiency. These systems require fewer reagents and consumables, making them much less resource-intensive than traditional methods, resulting in lower operational costs and reduced environmental impact. The ability to perform multiple analyses simultaneously ensures comprehensive water quality assessment in a fraction of the time needed with conventional techniques (Figure 5). Growing demand for automation There is a growing need to remove bottlenecks in daily operations for water testing, driven by the demand for increased efficiency, accuracy and the ability to handle higher workloads. Automating preparative workflows for essential analytical techniques such as chromatography, spectroscopy and wet chemistry streamlines laboratory processes, minimizes human error and enhances overall data quality (Table 2). This is particularly important in water testing, where precise and reliable results are essential for protecting the environment and public health in compliance with regulatory standards. Traditional testing methods often limit laboratories to analyzing a few parameters at a time. This approach can be resourceintensive and time-consuming, leading to inefficiencies and higher operational costs. By consolidating multiple analytical Figure 5. The Gallery Discrete Analyzer tests a wide range of parameters, providing multiple benefits and solutions. Water and waste water as per regulatory method Alkalinity, total hardness Metals: total iron, Cr(VI) Beer specific parameters Free and total cyanide Wine specific parameters Cider testing Range of organic acids Ammonia, total kjedahl nitrogen (TKN) Phosphate, total phosphate Anions: fluoride, chloride, nitrite, sulfate Calcium, magnesium, potassium pH, conductivitycapabilities into a single platform, laboratories can streamline processes, reduce the need for multiple instruments and achieve more comprehensive results with less effort. For a truly comprehensive and walkaway solution, the Thermo Scientific™ Disc-IC System provides reliable and unattended analysis of large sample series for source water, process water and wastewater. This system integrates discrete analyzers with IC, allowing for the simultaneous determination of various parameters. It provides unmatched efficiency and precision, enabling laboratories to meet increasing regulatory demands and manage water analysis workflows effectively. Future-proof your laboratory As regulatory requirements evolve and new drinking water contaminants continue to be identified, it is crucial for water technologies to advance accordingly. Emerging contaminants, including PFAS, metals and microplastics, require robust and sophisticated analytical methods that can accurately detect and quantify these substances at trace levels. Thermo Fisher Scientific supports modern laboratories in their investment in cutting-edge analytical instruments and automated systems, empowering them to address future challenges and safeguard water resources. By integrating advanced analytical solutions into their workflows, testing laboratories can achieve sustainable and reliable water quality management, ensuring safe and clean water for communities now and in the future. References 1. Mishra BK, Kumar P, Saraswat C, Chakraborty S, Gautam A. Water Security in a Changing Environment: Concept, Challenges and Solutions. Water. 2021;13(4):490. doi:10.3390/w13040490 2. Singh BJ, Chakraborty A, Sehgal R. A systematic review of industrial wastewater management: Evaluating challenges and enablers. J Environ Manage. 2023;348:119230. doi:10.1016/j.jenvman.2023.119230 3. Bashir I, Lone FA, Bhat RA, Mir SA, Dar ZA, Dar SA. Concerns and Threats of Contamination on Aquatic Ecosystems. In: Hakeem K, Bhat R, Qadri H, eds. Bioremediation and Biotechnology. Published online January 27, 2020:1-26. doi:10.1007/978-3-030-35691-0_1 4. Zulkifli SN, Rahim HA, Lau WJ. Detection of contaminants in water supply: A review on state-of-the-art monitoring technologies and their applications. Sens Actuators B Chem. 2018;255:2657-2689. doi:10.1016/j.snb.2017.09.078 5. United States Environmental Protection Agency. Per- and Polyfluoroalkyl Substances (PFAS). https://www.epa.gov/sdwa/and-polyfluoroalkyl-substances-pfas. Updated July 12, 2024. Accessed October 9, 2024. 6. McFarland P. California Board OKs Drinking Water Standard for Hexavalent Chromium. Table 2. Comparison of automated analytical instruments for water quality testing.. Features Thermo Scientific™ TriPlus™ RSH SMART Autosampler Thermo Scientific™ Dionex™ AutoTrace™ 280 Solid Phase Extractor Thermo Scientific™ EXTREVA™ ASE™ Accelerated Solvent Extractor Elemental Scientific™ (ESI) DX FAST Autosampler and ESI prepFAST Automated In-line Dilution System Applications GC, GC-MS, LC, LC-MS GC, GC-MS, LC, LC-MS GC, GC-MS, LC, LC-MS ICP, ICP-MS Automated Workflow Liquid-liquid extraction (LLE) and dispersive liquidliquid microextraction (DLLME) Solid phase extraction (SPE) Parallel or serial sample extraction Accelerated sample uptake and wash out Automation Benefits • 24 hour unattended workflow operations with online injection • Significant labor-time savings • Reduced solvent consumption • Streamlined logistics • Minimal user interaction • Consistent method • Reduces the need for highly-skilled analysts • Prevents sorbent drying • 6 samples run in parallel • Combines extraction and evaporation into one automated platform • Automated endpoint detection • Minimal user interaction • One method for complete workflow • Intelligent auto-dilution for samples out of range (prepFAST) • Eliminates repeated manual dilution steps (prepFAST) • Increased sample throughput (ESI DX FAST) • Automated calibration standards (prepFAST) 7Engineering News-Record. https://www.enr.com/articles/58506-californiaboard-oks-drinking-water-standard-for-hexavalent-chromium. Published April 23, 2024. Accessed October 9, 2024. 7. European Commission. Drinking water to become safer thanks to new EU-wide hygiene standards for materials and products in contact with water. https://ec.europa.eu/ commission/presscorner/detail/en/ip_24_350. Published January 23, 2024. Accessed October 9, 2024. 8. European Union. Directive (EU) 2020/2184 of the European Parliament and of the Council of 16 December 2020 on the quality of water intended for human consumption. EUR-Lex. https://eur-lex.europa.eu/eli/dir/2020/2184/oj. Published December 23rd, 2020. Accessed October 9, 2024. 9. European Commission. New methodology to measure microplastics in EU’s drinking water. https://joint-research-centre.ec.europa.eu/jrc-news-and-updates/ new-methodology-measure-microplastics-eus-drinking-water-2024-04-23_en. Published April 23, 2024. Accessed October 9, 2024. 10. Kumar R, Qureshi M, Vishwakarma DK, et al. A review on emerging water contaminants and the application of sustainable removal technologies. Case Stud Chem Environ Eng. 2022;6:100219. doi:10.1016/j.cscee.2022.100219 11. Sanchez JM, Tautenhahn R. A comprehensive software workflow for non-targeted analysis of per- and polyfluoroalkyl substances (PFAS) by high-resolution mass spectrometry (HRMS). Thermo Fisher Scientific; 2023: 001826. https://assets. thermofisher.com/TFS-Assets/CMD/Application-Notes/an-001826-lsms-pfasanalysis-workflow-compound-discoverer-an001826-na-en.pdf. Accessed October 9, 2024. 12. Toth J, Pineda M, Yargeau V, Bromirski M. Simplifying quantitative analysis of emerging contaminants in environmental water samples with a TriPlus RSH EQuan 850 system and an Orbitrap Exploris 120 mass spectrometer. Thermo Fisher Scientific; 2024: 003076. https://assets.thermofisher.com/TFS-Assets/CMD/Technical-Notes/ tn-003076-lsms-emerging-contaminants-water-tn003076-na-en.pdf. Accessed October 9, 2024. 13. Thermo Fisher Scientific. Water analysis at ALS Environmental with Orbitrap Exploris GC. https://www.thermofisher.com/uk/en/home/industrial/mass-spectrometry/ gas-chromatography-mass-spectrometry-gc-ms/gc-ms-systems/highresolution-accurate-mass-gc-ms/orbitrap-exploris-gc.html. Accessed October 2024. 14. Grim C, McHale K, Astill T. LC-MS/MS analysis of per- and polyfluoroalkyl substances (PFAS) in soil samples in accordance with EPA Method 1633 featuring semi-automated solid phase extraction cleanup. Thermo Fisher Scientific; 2024: 002771. https:// assets.thermofisher.com/TFS-Assets/CMD/Application-Notes/an-002771-enpfas-epa1633-soil-an002771-na-en.pdf . Accessed October 9, 2024. 15. Thomas D, Gauriat B, Ganci A, Ladak A, Garnier JF. A rapid, sensitive, and consolidated method for PCBs and PAHs using GC-MS/MS. Thermo Fisher Scientific; 2022: 000540. https://assets.thermofisher.com/TFS-Assets%2FCMD%2FApplicationNotes%2Fan-000540-gc-ms-pcb-pah-water-an000540-en.pdf. Accessed October 9, 2024. 16. Hope K, Ladak A. Trace analysis of chlorophenolics using triple quadrupole GC-MS. Thermo Fisher Scientific; 2021: 000491. https://assets.thermofisher.com/ TFS-Assets/CMD/Application-Notes/an-000491-gc-ms-chlorophenolics-wateran000491-en.pdf. Accessed October 9, 2024. 17. Balaram V, Copia L, Kumar US, Miller J, Chidambaram S. Pollution of water resources and application of ICP-MS techniques for monitoring and management—A comprehensive review. Geosystems and Geoenvironment. 2023;2(4):100210. doi:10.1016/j.geogeo.2023.100210 For Research Use Only. Not for use in diagnostic procedures. © 2024 Thermo Fisher Scientific Inc. All rights reserved. All trademarks are the property of Thermo Fisher Scientific and its subsidiaries unless otherwise specified. XX-003472-NA-EN Contact us to discuss the best solution for your needs at thermofisher.com/water-analysis 8