The newest technologies presented at Pittcon 2023 in Philadelphia reflect the changes and progress the world has seen over the last three years, since the last in-person conference was held before the COVID-19 pandemic. In that time, innovators in the laboratory space have not only sought to make lab work faster, easier and more accurate, but have also responded to growing market and regulatory demands and leveraged state-of-the-art techniques to develop solutions for ongoing challenges. Here are the top three trends we spotted at Pittcon this year, highlighting key analytical chemistry applications, and tech that could shape the “lab of the future.”
1. Artificial intelligence is becoming a new normal for lab digitization
One of the hottest trends at this year’s Pittcon was the application of artificial intelligence (AI) to digital lab systems, including laboratory information management systems (LIMS), analytical software and onboard instrument programming. AI and machine learning are being leveraged in the lab space in a variety of ways, aiding in everything from LIMS data analytics, to compound identification, to instrument monitoring and automation, and more.
LabWare, a global leader in laboratory informatics software, announced it will be integrating data science and machine learning into the “fabric” of its software at “a foundational level.” This announcement follows LabWare's acquisition of CompassRed last year, a company that specializes in machine learning and predictive analytics. The changes are expected to aid customers in unlocking the full potential of their LIMS data, for example, through the improvement of key performance indicator (KPI) dashboards, which can help labs identify trends and bottlenecks, forecast outcomes and optimize workflows.
“In today’s day and age, there’s a huge need to not only acquire data, but also understand it and apply it to scientists’ and lab manager’s tasks without taking them outside their normal work streams,” said Patrick Callahan, director of advanced analytics at Labware. “That’s where LabWare analytics comes in, to help our customers explore and leverage the data they’ve acquired. This will be critical as we move into new methods of automation and discovery.”
Another exciting AI application announcement comes from JEOL, which introduced its msFineAnalysis AI software, designed for the JEOL JMS-T2000GC AccuTOF GC-Alpha system. The software aims to help eliminate mass spectrum “unknowns” for gas chromatography-mass spectrometry (GC-MS) analyses using two AI tools that work in conjunction to automate and expand the search for chemical structures. One component uses AI to predict electron ionization (EI) mass spectra for 100 million structures in the PubChem database, while another predicts the presence or absence of common substructures. The result is the potential to identify millions of compounds not present in currently-available GC-MS databases. JEOL reports that the software takes an average of four seconds to perform a structural analysis of one sample component, while skilled analysts with decades of mass spectrometry experience take an average of 30 minutes to perform the same task manually.
“Computer-aided determination of chemical structures from mass spectra and the reverse – prediction of EI mass spectra from chemical structures – has been a goal since the 1960s,” said JEOL applications scientist Chip Cody. “This goal is finally achieved with JEOL’s development of msFineAnalysis AI.”
Instrument manufacturers are also using AI to drive laboratory automation and simplify maintenance; for example, the new AI-powered 2000H series Headspace Autosampler from HTA srl. features continuous, automated workflow optimization and self-diagnostic tests that enable predictive maintenance strategies. Additionally, users of the 2000H can leverage its AI capabilities for a streamlined tech support experience; the instrument will generate a QR code when a problem is detected, which both connects the user with a support representative and automatically provides the representative with relevant data from the instrument to help them quickly diagnose and resolve the problem.
2. Growing demand for high-quality batteries is driving material testing innovations
Alternative energy sources offer an avenue to combat climate change, reduce carbon emissions and even lower energy costs. Rechargeable, high-capacity energy storage materials such as lithium-ion (Li-ion) batteries play a key role in supporting these goals, and interest in these materials has soared over recent years. For example, sales of electric cars nearly doubled between 2020 and 2021, according to the International Energy Agency. At the same time, energy storage technology is constantly improving, with battery energy densities rising from around 100-150 Wh/kg in 2011 to more than 300 Wh/kg a decade later.
The rapidly growing demand for high-quality batteries has driven many of the technological advancements showcased at Pittcon this year. JEOL, which presented the theme “The Science of Energy” at this year’s conference, highlighted microscopy and nuclear magnetic resonance (NMR) solutions for studying battery performance. This includes JEOL USA’s NMR ECZ Luminous Series, which features a Multi Frequency Drive System (MFDS) that enables analysts to perform multiple pulse trains on different nuclei on a single radio frequency (RF) channel in the same experiment. NMR enables the direct observation of Li ion dynamics and is also used to analyze degradation products in Li-ion batteries.
JEOL also showcased the recently-launched JIB-PS500i, a focused ion beam scanning electron microscopy (FIB-SEM) solution, which can prepare sample lamellae thinner than 30 nm for atomic resolution scanning transmission electron microscopy (STEM) imaging. The JIB-PS500i also supports energy-dispersive X-ray spectroscopy (EDS) analysis of the specimen surface in the same instrument, and features a double-tilt sample holder, the TEM-Linkage, for seamless transfer of the sample directly to the TEM. FIB-SEM supports structural and defect analysis of a range of materials including batteries, semiconductor materials, and quantum materials.
Another new solution in battery analysis comes from Waters Corporation’s TA Instruments Division: the Battery Cycler Microcalorimeter Solution, which combines the TAM IV Isothermal Microcalorimeter and TAM Assistant Software platform with the BioLogic VSP-300 potentiostat to form an integrated, end-to-end battery analysis system that can be controlled seamlessly through one interface. The solution delivers rapid results from battery cycling experiments, including measurements of solid-electrolyte interface (SEI) formation reactions, parasitic heat reactions, self-discharge rate and more. Users can test coin, pouch and 18650 cylindrical-type batteries using the Battery Cycler Microcalorimeter Solution, with support for testing up to 12 coin-sized batteries simultaneously.
“Innovations like our in-operando Battery Cycler Microcalorimeter Solution are revolutionary for the future of battery R&D,” says Jianqing Bennett, Waters Corporation senior vice president of the TA Instruments Division. “It significantly reduces testing time by up to 75%, while helping researchers learn more about how batteries and their materials behave and change under both thermal and electrochemical conditions. The precise data it provides scientists is essential to help ensure battery performance and safety.”
Beyond the exhibition hall, several technical sessions also covered techniques for preparing and characterizing energy storage materials. For example, Sergey Mamedov of HORIBA Scientific presented a method for characterizing structural changes in manganese, cobalt and nickel cathodes during charge/discharge cycles using Raman spectroscopy.
3. New environmental regulations put the spotlight on PFAS testing
Per- and polyfluoroalkyl substances (PFAS), also known as “forever chemicals,” have been used in a variety of household and industrial products since the 1940s, but widespread recognition of their health and environmental impacts has only emerged within the past couple decades. The U.S. Environmental Protection Agency (EPA) first began regulating PFAS under the Toxic Substances Control Act in 2002, and the first EPA method for PFAS testing was published in 2009. Less than a decade-and-a-half later, and this once little-known and little-studied class of compounds has become a major focus for both government regulators, and analysts in the field of environmental testing. Recent updates from the EPA, such as the announcement of a fifth Unregulated Contaminant Monitoring Rule for 29 PFAS in drinking water in 2021, and the publication of new draft methods for PFAS testing in 2021 and 2022, have further brightened the spotlight on PFAS analysis at this year’s Pittcon, along with several state-specific restrictions passed within the last few years.
Phenomenex highlighted its portfolio of PFAS extraction and analysis tools at its booth, including its Strata series Solid-phase Extraction (SPE) Tubes, Certified Reference Standards for EPA Methods 533 and 537.1 and high-performance liquid chromatography (HPLC) analytical columns, including the Gemini and Kinetex C18 HPLC columns, and the Luna Omega PS C18 column for ultra-high performance (UHPLC) applications. Phenomenex offers solutions not only for drinking water analyses, but also for PFAS extraction and testing in sediments, soils, food and biota.
PromoChrom Technologies also demoed its 8-channel SPE system, the SPE-03, on the exhibition floor to show how the fully automated instrument supports efficiency for multiple PFAS methods, including EPA Methods 533/537.1, draft EPA Method 1633 and ISO 21675. With the ability to process eight samples in parallel, one SPE-03 system enables the analysis of 20 field samples per day by overlapping LC-MS/MS analysis time with extraction of the next batch.
PFAS analysis was also the focus of nine poster presentations and nearly two dozen oral presentations throughout the conference program. Presentation topics included investigations of novel analytical techniques, testing of diverse sample matrices and strategies for improving the performance of approved testing methods. In his poster presentation titled “Environmental Forensic Analysis of PFAS Pollution by Raman Spectroscopy in Fish Blood,” University at Albany, SUNY graduate research assistant Luis Perez-Almodovar described how rapid, portable and affordable instrumentation combined with chemometrics analysis can accurately discriminate between low and high PFAS concentrations in the blood of bass from contaminated lakes. In an oral presentation, Ruth Marfil-Vega of Shimadzu Scientific Instruments presented strategies to achieve maximum sensitivity in EPA Methods 533 and 537.1 through the optimization of parameters such as MS interface temperature and MS probe position. Mike Chang of Restek Corporation also presented a single-column solution for ultrashort-chain and short-chain PFAS analysis by LC-MS/MS as part of an oral presentation series on “Trending Environmental Analytes.”
On March 14, 2023, just days before the conference, the EPA announced a proposed National Primary Drinking Water Regulation, which would impose enforceable maximum contaminant levels of just 4 ppt for PFOA and PFOS. With the first federal restrictions on PFAS levels in drinking water potentially to come by the end of 2023, it’s expected that PFAS analysis will remain a hot topic come Pittcon 2024.