This study examines how freely dissolved concentrations influence the comparative hazard ranking of bisphenol A (BPA) and 24 alternative chemicals in in vitro assays. Chemical stability and bioavailable concentrations were assessed experimentally and modeled, with predicted freely dissolved concentrations generally agreeing with measurements within one order of magnitude.Exposure correction had little effect for hydrophilic compounds but substantially increased the apparent potency of hydrophobic, highly protein-bound alternatives. For example, BPAF and TCBPA ranked considerably higher when freely dissolved rather than nominal concentrations were used. The findings show that accounting for actual in vitro exposure is essential for reliable hazard assessment of BPA alternatives.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/crtoec/article/doi/10.1021/acs.chemrestox.6c00300/5442587/In-Vitro-Exposure-Assessment-Improves-Hazard">In Vitro Exposure Assessment Improves Hazard Ranking of Bisphenol A Alternatives</a></h4>Luise Henneberger*; Sophia Bardehly; Arina Kremser; Vanessa Srebny; Beate I. EscherChem. Res. Toxicol. (2026)&nbsp;<div><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.chemrestox.6c00300">https://doi.org/10.1021/acs.chemrestox.6c00300</a></div><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.<div><div><div><div><div><div><div>Bisphenol A (BPA) was used for decades as a plastic chemical, but due to its endocrine disrupting properties it is now banned for food-contact materials (<a href="javascript:;">1</a>) and thermal paper (<a href="javascript:;">2</a>) in the European Union. Numerous BPA replacement chemicals have therefore been developed, but for most of them effects to human and environmental health have not been thoroughly assessed. (<a href="javascript:;">3, 4</a>) Cell-based in vitro bioassays allow a fast screening for adverse effects and can help to identify which alternatives show similar toxicity compared to BPA itself and which ones can be considered more benign. Numerous in vitro toxicity studies have been published, but the majority has either focused on only a few of the BPA alternatives or few specific end points like estrogenicity and androgenicity (<a href="javascript:;">5, 6</a>) or adipogenesis. (<a href="javascript:;">7, 8</a>) The most comprehensive in vitro toxicity datasets for BPA and its alternatives can be found in the recent publication by Srebny et al. (<a href="javascript:;">9</a>) that reports data from six assays for BPA and 26 alternatives and in the Tox21 database, which contains data from various assays for BPA and 15 alternatives as reviewed by Adamovsky et al. (<a href="javascript:;">4</a>)</div><div>To date, comparative hazard assessment using in vitro toxicity data for BPA and its alternatives was exclusively done based on nominal effect concentrations. (<a href="javascript:;">9−12</a>) However, nominal concentrations do not necessarily correlate with the bioactive concentration, because the test concentration of the chemicals added at the beginning of the bioassay can be reduced by plastic sorption, volatilization, cellular metabolism, abiotic degradation and binding to cell culture medium constituents (<a href="javascript:;">Figure 1</a>). (<a href="javascript:;">13</a>) Some of these binding and loss processes are only relevant for certain compound classes or assay types. For example, plastic sorption was shown to be negligible for assays that use a high serum content, i.e., 10% fetal bovine serum (FBS) in 384-well plates. (<a href="javascript:;">14</a>) Furthermore, many cell lines applied in high-throughput screening assays (e.g., HEK293 cells) have limited metabolic capacity, which makes this loss process also less relevant. (<a href="javascript:;">15</a>) Volatility can be evaluated using the medium-air partition constant (Kmedium/air) of the test chemicals. Previous studies have shown that chemicals with log Kmedium/air &lt;4 are lost from the assay plates or even cross-contaminate neighboring wells and cannot be tested in open well plate formats. (<a href="javascript:;">16, 17</a>)<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chem_Res_Toxicol_2026_Figure_1_Binding_and_loss_processes_in_cell_based_in_vitro_bioassays_9255cda1ae.png" alt="Chem. Res. Toxicol. (2026): Figure 1. Binding and loss processes in cell-based in vitro bioassays and their relevance for BPA and its alternatives. Created in BioRender. Henneberger, L. (2026) " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chem_Res_Toxicol_2026_Figure_1_Binding_and_loss_processes_in_cell_based_in_vitro_bioassays_9255cda1ae.png 192w," sizes="100vw" width="750" height="608"><div>Following these considerations, previous studies identified abiotic stability as a key parameter for in vitro exposure assessment that should always be measured in the first place. (<a href="javascript:;">18−20</a>) Unfortunately, stability measurements in bioassay medium are rarely published. For BPA and its two alternatives Bisphenol S (BPS) and F (BPF), medium concentrations were recently measured over time by Brenner et al. (<a href="javascript:;">21</a>) and were found to be stable for 24 h. The diglycidyl ether of BPA (BADGE) was reported to hydrolyze quickly in aqueous solution, (<a href="javascript:;">9, 22, 23</a>) which will occur in medium as well. However, for most BPA replacement chemicals the stability in assay medium is not known.</div><div>For stable compounds the binding to medium proteins and lipids will determine the bioavailable concentration. In previous studies, free fractions (ffree) in cell culture medium were measured for BPA, BPS and BPF, (<a href="javascript:;">21, 24</a>) but experimental data for other BPA alternatives are lacking. Prediction of ffree is also possible with a variety of different in vitro distribution models, (<a href="javascript:;">13</a>) but the required chemical input parameters for protein and lipid binding are also not available experimentally for the majority of the BPA alternatives, which may lead to high prediction errors.</div><div>To address the aforementioned data gaps, BPA and 24 of its alternatives with diverse physicochemical properties were tested for their chemical stability in cell culture medium in the present study. For the subset of stable chemicals, binding to bovine serum albumin (BSA) and phospholipid membranes was quantified. BSA is the most abundant protein in FBS and can be considered to be the predominant sorptive phase for BPA and its alternatives. (<a href="javascript:;">25−27</a>) The measured distribution ratios to proteins and lipids were used to validate the quantitative structure-activity relationships (QSARs) reported in previous studies (<a href="javascript:;">28, 29</a>) that allow a prediction of protein and lipid binding from the octanol-water partition constant (Kow) and speciation of the BPA alternatives. Additionally, ffree in cell culture medium was measured and compared to ffree predicted using a simple mass balance model. (<a href="javascript:;">30</a>) The experimental ffree were used to calculate relative effect potencies (REPs) of the BPA alternatives based on freely dissolved concentrations and the derived REPs were compared to published REPs based on nominal concentrations.</div></div><h4>Materials and Methods</h4><h5>Instrumental Analysis</h5>Chemical concentrations in the PBS samples after SPME extraction, in the corresponding sample extracts, as well as in the samples from the stability and membrane partitioning experiments were determined using a liquid chromatography instrument (<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=1260+Infinity+II">1260 Infinity II, Agilent</a>) coupled to either a fluorescence detector (1100/1200 FLD), a diode array detector (DAD) or a triple quadrupole mass spectrometer (<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=6420">Triple Quad 6420, Agilent</a>). Further details on the instrumentation including column types, instrumental conditions and limits of quantification (LOQs) are provided in the <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/crtoec/article-supplement/5442587/pdf/tx6c00300_si_001/">SI Tables S2-4</a>. Calibration standards with a concentration range of 1–10.000 ng/mL in desorption solvent or PBS (for the determination of isotherms, pin-water distribution and membrane-water partitioning) and acetonitrile blanks were measured together with the samples. The PBS samples were diluted 1:1 or 1:10 with acetonitrile according to the composition of the calibration standards.<h4>Results</h4><h5>Stability Measurements in Bioassay Medium</h5>BPA and 22 of its alternatives were found to be stable in bioassay medium (OptiMEM base medium supplemented with 2% cs-FBS). The total medium concentration for these chemicals determined after 48 h of incubation at 37°C differed less than 20% from the total medium concentration determined in the freshly prepared medium (<a href="javascript:;">Fig. 2</a>). For the most hydrophobic test chemical Bisphenol PH (BPPH) losses of 37% and 10% were observed in assay medium with 2% and 10% FBS, respectively. BADGE was completely degraded within 48 h in both types of media (<a href="javascript:;">Fig. 2</a>).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chem_Res_Toxicol_2026_Figure_2_Stability_of_BPA_and_24_alternatives_f4ada9114e.png" alt="Chem. Res. Toxicol. (2026): Figure 2. Stability of BPA and 24 alternatives at 37°C in assay medium (OptiMEM supplemented with 2% cs-FBS) expressed as %loss after 48 h, different symbols indicate independent experimental replicates. Stability of BADGE and BPPH was also tested in assay medium consisting of 90% DMEM with 10% untreated FBS." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chem_Res_Toxicol_2026_Figure_2_Stability_of_BPA_and_24_alternatives_f4ada9114e.png 107w," sizes="100vw" width="750" height="1090"><h5>Bovine Serum Albumin Binding and Membrane-water Partitioning</h5><div>The SPME method was successfully optimized for BPA and 15 of the alternatives. Binding to the pin coating as well as equilibration times were found to increase with increasing hydrophobicity (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/crtoec/article-supplement/5442587/pdf/tx6c00300_si_001/">Figure S4</a>). Chemical recoveries (sum of amount in PBS and pin coating) for the optimization experiments in PBS were high (76-111%). Several chemicals showed nonlinear sorption to the pin coating, which had to be considered in the Cfree calculation (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/crtoec/article-supplement/5442587/pdf/tx6c00300_si_001/">Figure S3</a>). Despite the good performance of the SPME method, the testable concentration range was limited for some BPA alternatives due to high LOQs (e.g., 1 μg/mL for BPP and 0.5 μg/mL for BPZ).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chem_Res_Toxicol_2026_Figure_3_Comparison_of_measured_EXP_and_modelled_MBM_A_bovine_serum_albumin_water_distribution_ratios_d5813c1071.jpg" alt="Chem. Res. Toxicol. (2026): Figure 3. Comparison of measured (EXP) and modelled (MBM) (A) bovine serum albumin-water distribution ratios (DBSA/w) and (B) membrane or liposome-water distribution ratios (Dm/w or Dlip/w), (C) dependence of measured (EXP) and modelled (MBM) free fractions (ffree) in assay medium (OptiMEM base medium +2% cs-FBS) of the test chemicals on the membrane-water distribution ratio (Dm/w), (D) comparison of average measured (EXP) and modelled (MBM) ffree, (E) comparison of measured freely dissolved concentrations (Cfree) with dosed nominal concentration (Cnom), (F) comparison of measured (EXP) and modelled (MBM) Cfree. Solid lines in A, B, D, E and F indicate the 1:1 line, the dotted lines indicate the 1:10 and 10:1 lines. AAFE (absolute average fold error)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chem_Res_Toxicol_2026_Figure_3_Comparison_of_measured_EXP_and_modelled_MBM_A_bovine_serum_albumin_water_distribution_ratios_d5813c1071.jpg 216w," sizes="100vw" width="1600" height="1158"></div><div>Binding to BSA was measured for BPA and 15 of the alternatives (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/crtoec/article-supplement/5442587/pdf/tx6c00300_si_001/">Figure S5</a>, abbreviations in <a href="javascript:;">Table 1</a>). For BPF, BPAF, BP-MIBK, BPA, BPS-MAE and D8 binding isotherms were linear, while for BPT, BPZ, BzBP, Bz, BPAP, BPB, BPE and BPS-MPE binding to BSA was concentration-dependent (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/crtoec/article-supplement/5442587/pdf/tx6c00300_si_001/">Table S6</a>). <a href="javascript:;">Table 2</a> reports the mean DBSA/w. BPS and 24BPS showed weak affinities for BSA. For BPS DBSA/w could only be determined at one concentration level and no isotherm was fitted. For 24BPS no binding could be measured at any of the tested concentrations indicating fbound &lt; 20% at the tested BSA concentration of 1.56 g/L. <a href="javascript:;">Figure 3</a>A shows a comparison of the measured DBSA/w with the values predicted from log Kow by Srebny et al. (<a href="javascript:;">9</a>) Because regression models based on log Kow do not consider concentration dependence, the average DBSA/w was calculated and used for the comparison in <a href="javascript:;">Fig. 3</a>A even for the chemicals with nonlinear binding isotherms, resulting in generally larger error bars (see also <a href="javascript:;">Table 2</a>). On average, the measured DBSA/w agreed with the modelled values within a factor of 4.7 (AAFE). For most chemicals the measured and predicted DBSA/w agreed within a factor of 7. For benzylparabene (BzBP), BPS-MAE and D8 the measured DBSA/w were a factor of 17, 24, and 35 higher compared to the value predicted from log Kow. For BPA the measured log DBSA/w of 3.57 agrees well with literature data (<a href="javascript:;">29</a>) (DBSA/w = 3.65). This literature value was also used for the comparison in <a href="javascript:;">Figure 3</a>A.</div><h4>Conclusion</h4><div>The same concept as applied in the present study can also be used for other classes of chemicals. Abiotic stability should always be measured first. For unstable chemicals hazard assessment will need to include the formed transformation products as well and a concentration metric that considers temporal changes (e.g., area under the curve). The same applies to stable chemicals if cell lines with high metabolic capacity are used for in vitro testing (e.g., HepG2 or HepaRG). For stable and not quickly metabolized chemicals ECfree should be used for hazard ranking, if the chemicals show significant binding to medium proteins and lipids or high chemical diversity like the BPA alternatives investigated in the present study. Simple prediction models can provide a fast alternative to experimental determination of ffree, but they rely on the quality of the used chemical input parameters and are less accurate for organic acids that show nonlinear protein binding.</div><div>Finally, for IVIVE, metabolism of the BPA alternatives needs to be considered as well. Metabolization does not only differ between BPA and its alternatives, but also between different cell lines and between in vitro and in vivo. For mechanistic understanding of metabolism and its influence on toxicity it might be advisible to use a defined external metabolic system as used by Srebny et al. (<a href="javascript:;">9</a>) with non-metabolically competent cell lines before testing directly in metabolically competent cells. Metabolization generally decreases estrogenicity and cytotoxicity of BPA and its alternatives, (<a href="javascript:;">9</a>) but data for other end points are largely missing.</div></div></div></div></div></div></div>

In Vitro Exposure Assessment Improves Hazard Ranking of Bisphenol A Alternatives

Commercial and public spectral libraries provide broad coverage for LC-MS/MS identification, but they cannot contain every compound that matters to a specific laboratory. Proprietary products, metabolites, intermediates, impurities, degradation products, biomarkers, and internally characterized compounds may be highly relevant even if they are absent from standard reference collections. NIST26 allows laboratories to build their own MS/MS user libraries and integrate them directly into routine search workflows, creating a focused resource tailored to their analytical needs.<h4>Why Create a User MS/MS Library?</h4>User libraries are usually much smaller than commercial or public spectral databases, but their value is not determined by size alone.A laboratory-specific library may contain exactly the compounds most important for a particular application. These can include:<ul><li>proprietary products,</li><li>known metabolites,</li><li>synthesis intermediates,</li><li>impurities,</li><li>degradation products,</li><li>biomarkers,</li><li>compounds associated with specific industrial or environmental samples.</li></ul>Such libraries can therefore provide highly relevant identifications in pharmaceutical development, industrial R&amp;D, medical laboratories, environmental analysis, and other specialized fields. A relatively small collection of carefully characterized compounds may be more useful for a particular laboratory than a much larger general-purpose database.&nbsp;<h4>What Information Can Be Stored with Each Spectrum?</h4>Creating a useful library entry involves more than importing an MS/MS spectrum.A complete record can combine several types of information, including the experimental spectrum, chemical structure, instrumental parameters, ionization information, sample history, and additional user-defined metadata.Spectra can be transferred from vendor software into NIST Library Search, or they can be sent from the Chromatogram tab directly to the Library Search environment in NIST26. Chemical structures can be imported through the Windows clipboard from a molecular drawing program, while standard experimental parameters and sample-history information can be prepared separately and added to the entry.&nbsp;The ability to keep analytical metadata together with the spectrum is particularly important for internally generated libraries because it preserves the context in which the reference spectrum was acquired.<h4>Using Tags to Organize LC-MS/MS Metadata</h4>NIST26 supports a range of structured tags for LC-MS/MS spectra.These can describe parameters such as:<ul><li>spectrum type,</li><li>compound type,</li><li>ion name,</li><li>precursor type,</li><li>precursor m/z,</li><li>collision energy,</li><li>instrument type,</li><li>sample identifier,</li><li>ionization mode,</li><li>ion polarity,</li><li>collision gas,</li><li>pressure,</li><li>mass range,</li><li>maximum intensity,</li><li>cone voltage,</li><li>charge,</li><li>molecular weight,</li><li>known impurities,</li><li>related CAS numbers,</li><li>peptide sequence and peptide modifications.</li></ul>This provides a convenient way to attach searchable and standardized experimental information to spectra rather than leaving all metadata in an unstructured comment field.&nbsp;Tags can be entered individually through the Additional Info section in the Librarian interface, but when many spectra are being added, a grouped approach can be considerably faster.&nbsp;<h4>Adding Groups of Tags Efficiently</h4>For repetitive workflows, metadata can be prepared in advance and pasted into NIST26 as a group.The presentation recommends maintaining frequently used tag sets in a simple text document, then copying them into the synonym field and using Add to List to convert them into structured information.This is especially useful when the vendor software already transfers some parameters automatically. Users can then add only the missing information, such as ion adduct or polarity, rather than duplicating metadata already imported with the spectrum.&nbsp;Care is required because entering information that is already present may create duplicate metadata.This workflow can substantially accelerate library creation when many spectra share the same instrument configuration or acquisition parameters.<h4>Preserving Sample History</h4>A spectral match is more useful when the origin of the reference spectrum is known.NIST26 therefore allows detailed sample information to be stored in the comment field. For batches of related samples, the text can be prepared in Notepad or another editor and pasted into multiple records.Examples of useful information include sampling location, sampling date and time, analyst name, organization, internal sample identifier, project information, or other relevant context.&nbsp;For environmental, clinical, pharmaceutical, and industrial laboratories, this information can become an important part of data traceability.<h4>Adding Molecular Structures</h4>A user library becomes considerably more useful when spectra are linked to molecular structures.Structures can be created from scratch in a chemical drawing program. Alternatively, a similar structure can be located in NIST Search and sent to the default structure editor, where it can be modified as needed.Once completed, the structure can be copied to the Windows clipboard and inserted into the NIST Librarian spectrum-information window. NIST26 can then calculate the molecular formula and molecular weight from the imported structure.&nbsp;This linkage between spectrum and structure supports more informative library displays and structure-based searching.<h4>Creating Custom User-Defined Tags</h4>In addition to the standard LC-MS/MS tags, laboratories can define their own metadata fields.Examples shown include identifiers such as:<ul><li>chemist,</li><li>laboratory notebook number,</li><li>analyst.</li></ul>The information can be prepared in a text editor and added using the appropriate tag syntax. Once configured in the Comment Field Display settings, these values are displayed as separate structured lines rather than remaining embedded in the general comments.&nbsp;This flexibility makes the library more suitable for laboratories with established internal documentation systems or quality-management requirements.NIST can also automatically add information such as the InChIKey and an estimated retention index when appropriate structural information is available.&nbsp;<h4>High-Resolution and Low-Resolution Libraries Should Be Kept Separate</h4>User libraries do not have to contain only high-resolution spectra.Low-resolution MS/MS spectra may also be valuable, including spectra generated by:<ul><li>in-source collision on single-quadrupole instruments,</li><li>triple-quadrupole MS/MS,</li><li>other nominal-mass workflows.</li></ul>The recommendation is to maintain separate high-resolution and low-resolution user libraries, because the appropriate search strategies and handling can differ.&nbsp;Low-resolution spectra can still generate strong library-search results and may be particularly useful when laboratories want to preserve historical data or incorporate spectra from multiple instrument types.<h4>Important Software Considerations When Importing Spectra</h4>The presentation also highlights several practical software issues that users should be aware of.One concerns the Intensity Threshold setting in the Spectrum Import Options window. When an intensity threshold is applied during import from vendor software, high-resolution spectral values may be converted to nominal mass rather than preserving the expected decimal precision.For laboratories building high-resolution user libraries, this is an important detail because accurate-mass information is one of the main advantages of HRMS data.Another issue affects some library-search modes after high-resolution spectra are added to a user library.<h4>HiRes No Precursor and Hybrid Search Limitations</h4>After adding high-resolution spectra, certain HiRes NoPrecursor and Similarity Hybrid MS/MS searches may not function correctly.A workaround involves exporting the affected library using Lib2NIST into MSP ASCII files together with the associated molecular structure files, then importing the data back into NIST library format.&nbsp;The presentation specifically warns against attempting the problematic MS/MS Hybrid Search under these conditions because it may cause the software to crash.An EI Normal search can mimic some of the functionality of HiRes No Precursor and may work effectively when high- and low-resolution libraries are searched together. HiRes NoPrecursor can also operate with presearch disabled, although this can make searching considerably slower.&nbsp;<h4>Display Issues in the Chromatogram Window</h4>Another software behavior concerns how spectral values are displayed in the Chromatogram tab.Values from Spectrum Import Options are reflected in the head-to-head spectral display. If settings are adjusted for low-resolution spectra, the displayed masses may appear truncated.Importantly, this visual behavior does not affect the results in the accurate-mass deconvolution and library-searching table; it affects only the spectral display at the top of the Chromatogram window.&nbsp;Distinguishing display behavior from actual processing results is important to avoid misinterpreting valid search results as corrupted data.<h4>Updating the Library After Adding New Entries</h4>User-library maintenance does not end when a spectrum has been added.Whenever a new entry containing a molecular structure is introduced, the structure index should be updated so that the new compound can be included properly in structure searching.The InChIKey appears to update with the structure, but if duplicate records are not being handled correctly, the InChIKey index may also need to be rebuilt.&nbsp;If a new library folder is added to the NIST26 MSSEARCH directory while the software is already running, users should also update the library list so that the newly added collection becomes available without restarting the entire environment.&nbsp;<h4>Using Lib2NIST to Repair High-Resolution User Libraries</h4>The Lib2NIST utility plays an important role in resolving some high-resolution library-search issues.The workflow involves exporting the problematic high-resolution library to an MSP file together with its molecular structure files and then re-importing the data into NIST library format.The corrected library can then be placed back into the NIST26 MSSEARCH directory. It is advisable to preserve the original library under a different name until the repaired version has been tested successfully.&nbsp;The presentation also recommends closing NIST Search while performing Lib2NIST conversions.<h4>Small Libraries Can Deliver High Analytical Value</h4>The central message is straightforward: a user library does not need to contain hundreds of thousands of compounds to be useful.A carefully curated collection of spectra from compounds that repeatedly appear in a laboratory's own samples can dramatically improve identification relevance. This is especially valuable for compounds that are proprietary, newly synthesized, application-specific, or otherwise poorly represented in public and commercial databases.By combining MS/MS spectra with structures, acquisition metadata, sample history, tags, and internally defined information, NIST26 can become more than a search engine for commercial databases. It can serve as a laboratory-specific knowledge base built around compounds that genuinely matter to the user's work.For specialized LC-MS/MS workflows, that may be one of the most valuable ways to extend the capabilities of spectral library searching.

Creating MS/MS User Libraries in NIST26

Per- and polyfluoroalkyl substances (PFAS)&nbsp;analysis is no longer&nbsp;defined by&nbsp;a fixed list of known compounds.As regulatory frameworks evolve and scientific understanding deepens, laboratories are being asked to go beyond routine testing. In addition to quantifying known PFAS, they must also investigate unknown, unexpected, and emerging compounds that fall outside predefined target lists.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_PFAS_Analysis_Beyond_the_Target_List_Connecting_Quantitation_and_Discovery_in_a_Single_Workflow_509ce49fc2.webp" alt="Thermo Fisher Scientific: PFAS Analysis Beyond the Target List: Connecting Quantitation and Discovery in a Single Workflow" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_PFAS_Analysis_Beyond_the_Target_List_Connecting_Quantitation_and_Discovery_in_a_Single_Workflow_509ce49fc2.webp 245w," sizes="100vw" width="1024" height="526">This shift introduces a fundamental analytical challenge.Targeted quantitation provides robust and validated concentration data for known PFAS. However, by design, it only answers questions about compounds already included in the method. In contrast, non-targeted analysis,&nbsp;using high-resolution accurate-mass&nbsp;(HRAM)&nbsp;data,&nbsp;enables scientists to explore the broader chemical landscape, revealing&nbsp;additional&nbsp;PFAS&nbsp;that were not included in a targeted quantitation method.For PFAS, where thousands of structurally related compounds and transformation products may be present, neither approach&nbsp;alone provides a complete picture.The&nbsp;real challenge&nbsp;lies in connecting these workflows. Discovery findings must be translated into actionable results that can be reviewed, followed up, and reported within a controlled analytical framework.In a previous&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/article/7167">blog post</a>, we introduced how <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1759">Thermo Scientific Compound Discoverer software </a>and <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/76">Thermo Scientific Chromeleon Chromatography Data System&nbsp;(CDS)&nbsp;</a>connect discovery and routine workflows.&nbsp;Here, we explore what that connection looks like in practice using PFAS analysis as an example.<h3>Why PFAS&nbsp;requires&nbsp;more than one analytical question</h3>PFAS&nbsp;represent a&nbsp;large&nbsp;and diverse class of compounds,&nbsp;with&nbsp;some&nbsp;estimates exceeding&nbsp;40,000 individual substances. Regulatory methods typically focus on a limited subset, yet environmental and biological samples often&nbsp;contain&nbsp;many more&nbsp;PFAS, including precursors and transformation products.This creates two&nbsp;essential and&nbsp;complementary analytical questions:How much of these known PFAS are present?andWhat other PFAS-related compounds might be present?A complete workflow needs to support both&nbsp;questions.<h3>Starting with targeted quantitation</h3>For known PFAS, targeted quantitation&nbsp;remains&nbsp;the&nbsp;backbone of routine analysis.Chromeleon CDS provides&nbsp;a&nbsp;controlled environment for&nbsp;data acquisition, processing, calibration, and reporting. In a PFAS workflow,&nbsp;this supports routine quantitation of predefined targets using laboratory-specific method and review criteria.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_PFAS_Analysis_Beyond_the_Target_List_Connecting_Quantitation_and_Discovery_in_a_Single_Workflow_2_7ff8eda8fe.jpg" alt="Thermo Fisher Scientific: PFAS Analysis Beyond the Target List: Connecting Quantitation and Discovery in a Single Workflow: Figure 1. Targeted quantitation of known PFAS in Chromeleon CDS.&nbsp;This example is&nbsp;from the analysis of PFAS using a&nbsp;Thermo Scientific&nbsp;Orbitrap Exploris&nbsp;240. Here&nbsp;we are showing&nbsp;the&nbsp;calibration curve (right) and extracted&nbsp;ion chromatogram&nbsp;(left)&nbsp;of 7:3 FTCA&nbsp;at 6 ng/L.&nbsp;The bottom&nbsp;half&nbsp;shows the processing method that&nbsp;contains&nbsp;many target PFAS and&nbsp;isotopically-labelled&nbsp;internal standards." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_PFAS_Analysis_Beyond_the_Target_List_Connecting_Quantitation_and_Discovery_in_a_Single_Workflow_2_7ff8eda8fe.jpg 208w," sizes="100vw" width="794" height="596">This targeted workflow is essential, but it is only part of the story. A sample may contain PFAS-related compounds not included in the original method.<h3>Looking beyond known PFAS</h3>Once HRAM data have been acquired, the same dataset can be explored beyond the target list using Compound Discoverer software. This enables comprehensive analysis of complex datasets, including:<ul><li>Detection and alignment of unknown features</li><li>Statistical comparison across samples and blanks</li><li>Spectral library searching and database annotation</li><li>Evaluation of isotope patterns, fragmentation, and homologous series</li></ul>For PFAS, this is particularly valuable. The software can leverage characteristic properties such as negative mass defect, CF₂-based homologous series, and diagnostic fragment ions to prioritize PFAS-related candidates and assign confidence to putative identifications.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_PFAS_Analysis_Beyond_the_Target_List_Connecting_Quantitation_and_Discovery_in_a_Single_Workflow_3_e523e1cdc9.jpg" alt="Thermo Fisher Scientific: PFAS Analysis Beyond the Target List: Connecting Quantitation and Discovery in a Single Workflow: Figure 2. Discovery of additional PFAS-related components in Compound Discoverer software. Here we show an example of using PFAS fragment libraries, one of many PFAS-specific resources available within Compound Discoverer software, to annotate fragments within acquired MS2 spectra of two unknown compounds and then identify them as PFAS that were outside the targeted quantitation method." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_PFAS_Analysis_Beyond_the_Target_List_Connecting_Quantitation_and_Discovery_in_a_Single_Workflow_3_e523e1cdc9.jpg 233w," sizes="100vw" width="1520" height="1016">The goal of discovery is not simply to generate more data. It is to reduce complexity and identify the most relevant candidates for further investigation with a defined level of confidence.<h3>From discovery to follow-up</h3>One of the most important questions in non-targeted analysis is what happens after candidate identification.Discovery workflows can identify interesting candidates, but those candidates need to move into a practical follow-up process. Scientists may want to monitor them across additional samples, estimate relative or semi-quantitative abundance, trend their presence over time, or include them in a reviewable report.This is where the connection between Compound Discoverer software and Chromeleon CDS becomes especially valuable.After PFAS candidates have been prioritized in Compound Discoverer software, selected components can be transferred back into Chromeleon CDS and incorporated into the Chromeleon processing methods for follow-up analysis. This allows scientists to evaluate these compounds within the same controlled environment used for targeted quantitation.For PFAS analysis, this may support semi-quantitative follow-up for compounds where authentic standards are not yet available. While fully quantitative results require appropriate standards and validated methods, semi-quantitative workflows can provide useful estimates or relative comparisons to help prioritize further investigation.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_PFAS_Analysis_Beyond_the_Target_List_Connecting_Quantitation_and_Discovery_in_a_Single_Workflow_4_8ee8ebc2df.jpg" alt="Thermo Fisher Scientific: PFAS Analysis Beyond the Target List: Connecting Quantitation and Discovery in a Single Workflow: Figure 3. Prioritized PFAS candidates brought back into Chromeleon CDS for follow-up. Prioritized PFAS candidates from Compound Discoverer software can be brought back into Chromeleon CDS for follow-up review, semi-quantitative evaluation, and controlled reporting." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_PFAS_Analysis_Beyond_the_Target_List_Connecting_Quantitation_and_Discovery_in_a_Single_Workflow_4_8ee8ebc2df.jpg 245w," sizes="100vw" width="1512" height="751">This is the key workflow advantage: discovery does not stop at identification. It can feed directly into a practical analytical process.<h3>Why this matters</h3>PFAS analysis increasingly requires laboratories to balance routine testing with exploratory investigation.A connected workflow between Chromeleon CDS and Compound Discoverer software supports this by:<ul><li>Combining targeted quantitation and non-targeted discovery to characterize samples more completely</li><li>Reducing manual data transfer and workflow fragmentation</li><li>Enabling discovery results to be reviewed and reported within a controlled CDS environment</li><li>Supporting investigation of emerging PFAS investigations without immediate method redevelopment</li><li>Bridging research-driven insights with routine analytical workflows</li></ul>This reflects a broader shift in analytical science, where the value lies not only in generating data, but in connecting workflows and turning data into actionable information.<h3>Moving PFAS analysis forward</h3>PFAS analysis is evolving from a fixed target list toward a more comprehensive understanding of complex chemical mixtures.Laboratories must quantify known compounds while remaining prepared to identify and evaluate what lies beyond them.By connecting Compound Discoverer software with Chromeleon CDS, laboratories can move seamlessly from targeted quantitation to discovery and into structured follow-up. The result is a more complete view of PFAS contamination and a more efficient path from data to insight.<h3>Learn more</h3>Explore how <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1759">Compound Discoverer software</a> and<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/76"> Chromeleon CDS </a>can help connect targeted quantitation and non-targeted discovery workflows for <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/environmental/environmental-contaminant-analysis/emerging-contaminants/pfas-testing.html">PFAS analysis</a>.<blockquote>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#PFAS #Chromeleon #CompoundDiscoverer #Environmental</blockquote>

PFAS Analysis Beyond the Target List: Connecting Quantitation and Discovery in a Single Workflow

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PFAS testing laboratories are being asked to do more than ever before. As regulatory requirements evolve and target analyte lists expand, analysts across environmental, food, and materials testing laboratories must deliver reliable trace-level PFAS measurements in increasingly complex applications. In this seven-part mini webinar series, we explore a range of solutions for trace-level PFAS determination, including Feed Injection and large-volume injection techniques, automated sample preparation, direct injection workflows, SPE strategies, thermal desorption, and complementary LC/MS/MS and GC/MS approaches. Each webinar addresses a different aspect of PFAS analysis, providing practical insights into workflow design, method performance, and laboratory productivity.<h4>Session 3: Validated Method for PFAS Testing in Food, Including Meats</h4>Food laboratories face the challenge of detecting PFAS at low concentrations in complex food matrices and demanding analytical requirements. Join this webinar to discover a simplified workflow for analyzing 30 PFAS in food using QuEChERS extraction, Captiva EMR PFAS Food II clean up, and LC/TQ detection.In this mini webinar, discover how to:<ul><li>Analyse 30 PFAS across diverse food matrices</li><li>Simplify extraction and matrix cleanup</li><li>Use Captiva EMR PFAS Food II for effective sample preparation</li><li>Streamline analysis through direct injection</li><li>Achieve the sensitivity, accuracy and precision required for food testing</li></ul><blockquote>Presenter: Peter Kornas (Application specialist LC/MS, Agilent Technologies)Peter has more than 15 years of experience in the development and validation of analytical methods for the determination of pesticides, mycotoxins and contaminants using LC/MS/MS. Before joining Agilent as an LC/MS application specialist in 2018, he worked as an analytical chemist in the food industry. During this time, he was responsible for the development and validation of analytical methods and worked in close coordination with Regulatory Affairs to ensure compliance with the legal requirements of the LC/MS method portfolio.Presenter: Nassima Galloway (Business Development Manager Food &amp; Environmental, Agilent Technologies)Nassima Galloway BSc obtained her degree at Manchester University in Medical Biochemistry BSc. Her professional career began working with environmental laboratories within EMEA offering support on sample preparation solutions and helping laboratories to optimise their workflows throughout.She now holds the position of Business Development Manager for EMEAI within the chemistries supplies division of Agilent Technologies.Nassima works closely within the food &amp; environmental markets to promote the latest advancements in sample preparation techniques and workflow solutions for LC/MS and GC/MS.</blockquote>

Agilent Technologies: PFAS Mini webinar Series

Validated Method for PFAS Testing in Food, Including Meats

Validated workflow for 30 PFAS in food using QuEChERS, Captiva EMR PFAS Food II cleanup, direct injection, and LC/TQ detection.

Validated Method for PFAS Testing in Food

<h4>Empower™ Tips for Audit Trail Compliance</h4>If you are in a regulated laboratory, you may be expected to actively review, interpret, and act on Waters Empower Software audit trail data in order to ensure compliance and data integrity, demonstrate a state of control, and for inspection readiness as part of your overall quality.<h5>In this session you will hear more about:</h5><ul><li>Risk review framework</li><li>Risk event types</li><li>Other items to consider for periodic review</li><li>Streamlining vigilant monitoring</li></ul>Whether you're struggling with defining a risk-based review strategy, interpreting regulatory expectations, or efficiently reviewing audit trails in Empower Chromatography Data System, in this webinar you will walk away with practical methods for structuring efficient, risk-based reviews that surface meaningful events to support patient safety, product quality, and decision-making.<h5>What you’ll gain from this session:</h5><ul><li>Gain insight into what is expected of regulated labs</li><li>Get a practical framework for risk review</li><li>Learn how to simplify audit trail reviews</li></ul>Please join us for a lively discussion as we explore this topic. As always, please bring your questions for this exclusive opportunity to ask our experts anything about Empower Software.<h5>Who should attend</h5>This session is designed for Lab Managers, Empower System Administrators, Quality, Quality IT, and Lab Personnel.Don't miss it!<blockquote>Speaker:&nbsp;Neil Lander (Senior Principal Product Manager, Waters Corporation)Neil has worked for Waters Corporation since 1994 and has held a variety of positions including Technical Support Specialist, Technical Trainer, Manager Customer Education and currently, Senior Principal Product Manager focusing on Informatics solutions.He provides internal support for Empower Chromatography Data System and is focused on developing laboratory software solutions that help organizations achieve their scientific and operational objectives.</blockquote><blockquote>Speaker:&nbsp;Tracy Hibbs (Principal Consulting Marketing Manager, Waters Corporation)Tracy has worked for Waters Corporation since 1999 and has held a variety of positions including Technical Trainer, Business Impact Consultant, Training Manager for Informatics and Data Integrity, and currently, Principal Consulting Product Marketing Manager focusing on Informatics solutions and compliance.Tracy provides support for Waters Empower Software Suite and is concentrated on developing laboratory data management software solutions that help organizations achieve their scientific and operational objectives in regulated environments.Prior to joining Waters, Tracy was a Research Scientist where she gained experience in chromatography and the associated data systems.​</blockquote>

Waters Corporation: Waters Empower Tips - Ask Me Anything About Periodic Audit Trail Review

Waters Empower Tips: Ask Me Anything About Periodic Audit Trail Review

Learn how to streamline periodic Audit Trail reviews in Waters Empower CDS. Implement risk-based frameworks to ensure data integrity and compliance

Periodic Audit Trail Review in Waters Empower CDS

The increasing focus on ultrashort PFAS, particularly Trifluoroacetic Acid (TFA) and Difluoroacetic Acid (DFA), is creating new analytical challenges for laboratories worldwide. Reliable quantification at trace levels requires a holistic approach that combines regulatory awareness, robust sample preparation, contamination management, optimized chromatography, and sensitive detection.In this webinar, Phenomenex experts will discuss key regulatory drivers, SPE sorbent selection, official PFAS methods, contamination control strategies and the role of delay columns in achieving reliable PFAS measurements.SCIEX experts will present a complete workflow for TFA and DFA analysis demonstrating how advanced LC-MS/MS technology and workflow automation help laboratories achieve ultra-sensitive detection, high throughput, and confidence in TFA and DFA analysis across multiple matrices.&nbsp;<h5>Key Learning Points</h5><ul><li>Understand the regulatory landscape and analytical challenges driving PFAS monitoring, with a focus on food, environmental, and emerging ultrashort-chain PFAS applications.</li><li>Implement robust PFAS workflows through optimized SPE sample preparation, appropriate column selection, and contamination management strategies, including the use of delay columns to improve analytical performance.</li><li>Improve data confidence and laboratory productivity by applying best practices for PFAS identification, quantification, and workflow standardization.</li><li>Address the growing challenge of TFA and DFA analysis using highly sensitive, automated LC-MS/MS workflows that deliver reliable results across multiple matrices with minimal hands-on time.</li></ul><h5>Who should attend:</h5><ul><li>Environmental &amp; Drinking Water Laboratories</li><li>Food Testing &amp; Food Safety Laboratories</li><li>PFAS Analysts &amp; Method Development Scientists</li><li>SPE &amp; Sample Preparation Specialists</li><li>LC-MS/MS Users</li><li>Laboratory Managers &amp; Technical Leaders</li><li>Regulatory &amp; Compliance Professionals</li></ul><blockquote>Presenter: Luigi Margarucci, PhD (EMEA Seminar and Application Lead, Phenomenex)Luigi holds a PhD in Pharmaceutical Sciences and began his career at Phenomenex in 2015 as a Technical Sales Consultant. In 2017, he took on the role of Mass Spectrometry Specialist, followed by Chromatography Training Manager in 2020. Since 2021, he has served as Technical Manager for Italy.He gained extensive experience in chromatography coupled with mass spectrometry while working as a researcher and research fellow at the University of Salerno, collaborating with leading chromatography and mass spectrometry centers in Italy and across Europe, including Utrecht University (The Netherlands).To date, Luigi has authored 27 scientific publications and has written and delivered numerous seminars on analytical techniques such as HPLC, GC, and SPE.&nbsp;</blockquote><blockquote>Presenter: Jianru Stahl-Zeng (Senior Market Development Manager Food, Environmental and Forensics, SCIEX)Jianru has been part of SCIEX since 2001. She initially was part of the application Support team and covered not only proteomics but also small molecules applications. Jianru then moved to technical marketing and focused on Food and Environmental applications.Since 2018, she is managing the EMEAI technical marketing team and projects. Jianru is also the Global Technical Leader for Food and Environmental applications.&nbsp;</blockquote>

Phenomenex: Confidence in PFAS Data: Smarter Sample Prep, Contamination Control, Highly Sensitive and Robust MS

Confidence in PFAS Data: Smarter Sample Prep, Contamination Control, Highly Sensitive and Robust MS

Learn how Phenomenex and SCIEX enable robust PFAS analysis. Master SPE sample prep, contamination control, and LC-MS/MS testing for TFA and DFA

Ultrashort PFAS and TFA Analysis by LC MS MS

PFAS are ubiquitous and detectable at increasingly low concentrations, making sample preparation a critical source of potential contamination. Labware, filtration consumables, and water used for dilutions and blanks can introduce background PFAS, compromising data integrity.Join our experts in this SelectScience® webinar as they explore practical strategies to reduce PFAS contamination in sample preparation for both LC-MS and Total Organic Fluorine (TOF) analysis using combustion ion chromatography (CIC). You will learn how to identify contamination pathways, implement best practices, and select consumables validated for low PFAS background.Sartorius solutions — including Arium® ultrapure lab water systems, Minisart® syringe filters, and Optifit® pipette tips — will be highlighted along with independent testing from Claros Technologies and Novem Scientific demonstrating their performance in LC-MS and TOF workflows.<h5>Certificate of attendance</h5>If you attend the live webinar, you will automatically receive a certificate of attendance, including a learning outcomes summary, for continuing education purposes.If you view the on-demand webinar, you can request a certificate of attendance by emailing editor@selectscience.net.<h5>Webinar details</h5><ul><li>Cost: Free to attend</li><li>Location: Online</li><li>Duration: 60 minutes</li></ul>Registration is required to secure your place. If you register but can’t attend live, you will receive a link to the on‑demand recording once it becomes available.<h4>Who should attend?</h4>This event is perfect for:<div><ul><li>Analytical chemists</li><li>Analytical lab heads/managers</li><li>Lab managers</li><li>QA and QC managers</li><li>Environmental scientists</li><li>Research scientists</li><li>Environmental lab professionals</li><li>LC-MS/MS-based clinical research professionals</li></ul><h4>What will this webinar cover?</h4><ul><li>Key PFAS contamination pathways and mitigation strategies</li><li>LC-MS vs. CIC/TOF sample preparation considerations</li><li>Independent test results on Sartorius consumables</li><li>How to select and validate consumables</li><li>Practical PFAS quality control strategies</li></ul></div><blockquote>Speaker: Andrew Christianson (President and CEO, Novem Scientific)Andrew Christianson is the President and CEO of Novem Scientific, LLC. He graduated in 2004 from the University of Minnesota, Morris with a BA in Chemistry, emphasis in Biochemistry. He has been serving the scientific industry and solving analytical problems for over 15 years in service and sales of analytical equipment and applications. In addition to being involved in the local Minnesota Chromatography Forum, he is also a voting member on the ASTM D19 water committee.Novem Scientific was founded in August 2021 and specializes in Total Organic Fluorine (TOF) analysis. TOF gives a non-targeted view of the total PFAS contribution in a sample as a compound class, without distinguishing individual analytes. The TOF test has been reimagined with modern instrumentation and Novem is on the cutting edge of research and development in new methods and matrices for this new and demanding analysis space.</blockquote><blockquote>Speaker: Sandra Söderholm, Ph.D. (Application Development Scientist, Sartorius)Sandra Söderholm earned her Ph.D. in Biochemistry from the University of Helsinki in 2016. Before joining Sartorius as an Application Development Scientist in 2019, she worked as a post doc in the field of infection biology at the University of Basel in Switzerland. At Sartorius, she focuses on the development, optimization, and validation of liquid-handling applications, and works with new product innovation, where understanding the customers’ workflows and needs plays a central role.</blockquote><blockquote>Speaker: Dr. Zijie 'Beryl' Xia (Director of Analytical Laboratories, Claros Technologies)Dr. Zijie 'Beryl' Xia is Director of Analytical Laboratories at Claros Technologies Inc., a PFAS destruction company. Since joining Claros in 2020, she has established its ISO-accredited PFAS analytical laboratory. Together with her team, she has developed standard PFAS methods and continues to advance non-standard methods and matrices for novel PFAS analysis.</blockquote><blockquote>Speaker: Klaus Schöne (Scientist, Sartorius)Klaus Schöne is a scientist who has been working at Sartorius, a supplier to the life science industry, since 2005. His work focuses on customer applications and translating application needs into new product solutions, including separation products for laboratory use such as PFAS sample preparation. Further areas of his expertise include the clarification and purification of biomolecules using ultrafiltration and chromatography.</blockquote><blockquote>Speaker: Dr. Kunal Kureja (Product Manager, Sartorius)Dr. Kunal Kureja is a Product Manager at Sartorius AG, specializing in laboratory water technologies and analytical applications. He earned his Ph.D. in Analytical and Preparative Chemistry from the University of Kassel and has worked across academic, startup, and industrial settings. His expertise includes application development, technical communication, and cross‑functional project leadership, with a particular focus on PFAS‑related analytical challenges and contamination risks in laboratory workflows.</blockquote><blockquote>Moderator: Todd Beanlands (Science Editor, SelectScience)</blockquote>

SelectScience: Minimizing PFAS background contamination in sample preparation

Minimizing PFAS background contamination in sample preparation

Learn how to reduce PFAS background contamination during sample prep. Discover Sartorius solutions for clean LC-MS and combustion IC workflows

Minimizing PFAS Contamination in Sample Prep

Sample preparation is one of the most time consuming steps in food and environmental testing. In this session, you’ll learn practical ways to simplify workflows, strengthen method robustness, and prepare your lab for emerging analytical challenges.Our experts will show how to optimize SPE methods, address complex contaminants such as PFAS, and apply simple automation options that increase consistency while reducing hands on time.The webinar will conclude with a Q&amp;A session. Participants will be able to submit their questions through the chat, and our experts will address them at the end.<h4>Key Learning Objectives:&nbsp;</h4><ul><li>Reduce hands on time with streamlined sample prep workflows</li><li>Improve method robustness for routine and advanced analyses</li><li>Accelerate throughput with optimized SPE strategies</li><li>Address complex contaminants, including PFAS, with fit for purpose workflows</li><li>Boost lab consistency using simple automation options</li></ul>Can't attend live? No problem - Register to receive the link to view the on demand recording after the event.You can select the language of the content in the top right corner of your screen.This webinar will be delivered in English.<blockquote>Speaker:&nbsp;Xavier Rodriguez (Principal Applications Specialist, Chemistry, Europe, Waters Corporation)Xavier is part of the European Market Development Team. He works as an Application Specialist with focus on sample prep and has more than 20 years of experience in solving sample prep challenges.</blockquote>

Waters Corporation: From sample to result: advanced sample prep strategies for food and environmental matrices

From sample to result: advanced sample prep strategies for food and environmental matrices

Learn advanced sample prep strategies for food and environmental testing. Optimize SPE, automate workflows, and tackle PFAS contaminants efficiently

Advanced Sample Prep Strategies for SPE and PFAS

As more oncology therapies transition from innovative medicines to widely available generic treatments, analytical laboratories play a critical role in ensuring these medicines remain safe, effective and accessible to patients. This webinar highlights a range of oncology applications, including olaparib, sorafenib, imatinib, ibrutinib, and the combination of palbociclib and letrozole, demonstrating how modern HPLC methods and alternative column technologies can support assay and impurity analysis while meeting compendial and quality requirements. Attendees will gain practical insights into method modernisation, column selection and analytical strategies that help manufacturers efficiently bring high-quality generic oncology medicines to market.<h4>Key Learning Points</h4><ul><li>Understand the role of robust analytical testing in supporting the quality, safety, and wider availability of generic oncology medicines.</li><li>Learn how alternative HPLC columns and modern chromatographic approaches can be applied to oncology drug assays and impurity methods while maintaining compliance and system suitability requirements.</li><li>Explore analytical challenges and solutions across a range of oncology therapies, including olaparib, sorafenib, imatinib, ibrutinib, palbociclib and letrozole.</li><li>Discover opportunities to improve laboratory efficiency, method robustness and throughput without compromising analytical performance.</li></ul><h4>Who Should Attend</h4><ul><li>Any lab managers, bench chemists, and QA/AC analysts who work with USP/Ph. Eur. monographs for oncology therapies or other pharmaceuticals.</li></ul><h4>Viewing Options</h4><h5>Session 1</h5><ul><li>Tuesday, October 20, 2026 Los Angeles: 10:00 AM PT | New York: 1:00 PM EST Mexico City: 12:00 PM CDT</li></ul><h5>Session 2</h5><ul><li>Wednesday, October 21, 2026 London: 9:00 AM BST | Berlin: 10:00 AM CEST&nbsp; Mumbai: 1:30 PM IST</li></ul><blockquote>Presenter: Grace Guo &nbsp;(Senior Technical Specialist, Phenomenex)Grace Guo graduated from Johns Hopkins University with a Master’s degree in Material Science and Engineering. She joined Phenomenex Technical Team in 2017, providing technical support globally. With more than 9 years of experience in SPE, HPLC, and GC, she delivered 90+ seminars and webinars globally covering food and environmental, clinical, pharma, and biopharma industries.&nbsp;</blockquote>

Phenomenex: The Journey to Generic Oncology

The Journey to Generic Oncology

Learn how Phenomenex HPLC columns and modern chromatographic approaches streamline impurity and assay analysis for generic oncology drugs

Generic Oncology HPLC Method Modernization

Take your Thermo Scientific™ Chromeleon™ software reporting skills to the next level with this practical webinar focused on the enhanced capabilities of Reporting Module 2.0. We'll explore the latest features and demonstrate how to leverage them to create more dynamic, informative, and efficient reports. Whether you're upgrading from Reporting Module 1.0 or looking to maximize the value of your current implementation, this session will provide practical guidance and real-world examples to improve your reporting workflows.What you will learn: Learn how to convert Reporting Module 1.0 reports to version 2.0, implement conditional formatting to enhance report readability, utilize new aggregation functions for statistical reporting, and take advantage of expanded Excel functions to create more powerful and flexible report templates.Who should attend: This webinar is ideal for Chromeleon software users who create or maintain reports, laboratory analysts, method developers, Chromeleon software administrators, and informatics professionals looking to improve reporting efficiency and make the most of the new capabilities available in Reporting Module 2.0.<blockquote>Speaker: Kimy Young (Senior Manager, Software Product Specialists, Thermo Fisher Scientific)Kimy Young is the Senior Manager of software product specialists at Thermo Fisher Scientific. She has been with Thermo Fisher since November 2015. Her background includes administration of Chromeleon CDS, laboratory information management systems (LIMS), Quality Assurance (QA), and IT projects.Speaker: Juan Carmona (Chromeleon CDS Specialist, Thermo Fisher Scientific)Juan Carmona is a Chromeleon Specialist at Thermo Fisher Scientific based out of Pflugerville, TX. He has been with Thermo Fisher Scientific for over 15 years. At Thermo Fisher Scientific, he is currently focusing on expanding the customer base using Chromeleon CDS for small networks and enterprise deployments. Prior to joining this group, he was part of the GC/GCMS Center of Excellence team providing support for the product line.</blockquote>

Thermo Fisher Scientific: Chromeleon software webinar series

Essential tips and tricks for the Chromeleon Reporting Module 2.0

Learn how to use Chromeleon Reporting Module 2.0, including report conversion, conditional formatting, aggregation functions, and expanded Excel tools.

tips and tricks for Chromeleon Reporting Module

As analytical programs expand, capillary electrophoresis workflows may need to accommodate more users, instruments, reviews, and approvals. The challenge is to introduce appropriate governance and connectivity while retaining the adaptability scientists need. This webinar examines how laboratories can prepare capillary electrophoresis operations for changing workflow expectations. Attendees will gain a practical perspective on building a connected, scalable software environment that can support analytical programs as they evolve from research and method development toward more controlled operational settings.<h5>Attend this webinar to:</h5><ul><li>Identify software capabilities that can support project governance, access control, traceability, review, and approval</li><li>Learn how centralized management can connect BioPhase 8800 systems, users, projects and workstations</li><li>Recognize how application programming interface connectivity can support integration with automated laboratory workflows</li></ul><blockquote>Speaker: Philip Hoang ( Senior Technical Product Manager, CE, SCIEX )&nbsp;Philip Hoang is a senior technical product manager at SCIEX, where he leads product strategy and development initiatives for capillary electrophoresis solutions serving the biopharmaceutical and analytical sciences markets. With a multidisciplinary background spanning analytical chemistry, biotechnology, software development, and product management, Philip brings a unique perspective to advancing innovative laboratory technologies.&nbsp;</blockquote><blockquote>Speaker: Tyler Davis, PhD ( Senior Product Manager, SCIEX)&nbsp;Dr. Tyler Davis is a senior product manager at SCIEX, where she leads product strategy and portfolio development for capillary electrophoresis. With a strong background in analytical chemistry, Tyler combines scientific expertise with customer-focused product management to help researchers and laboratories solve complex analytical challenges.&nbsp;</blockquote>

Technology Networks: Building Scalable, Connected Capillary Electrophoresis Workflows

Building Scalable, Connected Capillary Electrophoresis Workflows

Learn how SCIEX BioPhase 8800 systems and connected software build scalable capillary electrophoresis workflows with API integration and governance

Scalable CE Workflows with SCIEX BioPhase

<div><div container-id="cq-colctrl-lt0" comp-id="A1"><div>High-resolution accurate mass (HRAM) mass spectrometry has transformed quantitative bioanalysis, opening new possibilities for challenging analytes that have historically pushed the limits of conventional approaches. Join Troy Voelker for a practical look at the evolution of HRAM mass spectrometry for quantitative bioanalysis and how advances in Orbitrap™ technology are helping address increasingly complex analytical challenges.Drawing on more than a decade of experience applying high-resolution mass spectrometry to quantitative workflows, Troy will trace the progression from early studies evaluating whether HRAM could deliver the speed, precision, specificity, and dynamic range required for quantitative analysis to its growing role in modern bioanalysis.The session explores oligonucleotide bioanalysis, including multiple charge states, nonspecific fragmentation, matrix interference, and demanding sensitivity requirements. Troy will share findings from an industry oligonucleotide ring trial and discuss how established methods provided a benchmark for evaluating the next generation of Orbitrap technology, featuring the new Thermo Scientific™ Orbitrap™ Excedion™ Hybrid Mass Spectrometer.Attendees will have the opportunity to participate in the live Q&amp;A following the presentation.<h5>Who should attend?</h5>Scientists and laboratory leaders developing quantitative bioanalytical methods using HRAM MS; researchers working with oligonucleotides and nucleic acid therapeutics; and bioanalytical scientists interested in sensitivity, specificity, and quantitative performance.<h5>What you can expect to learn</h5><ul><li>How HRAM MS has evolved for quantitative bioanalysis</li><li>Why charge-state behavior and fragment selection are critical for oligonucleotide LC-MS specificity</li><li>How hybridization sample preparation and HRAM detection can support sensitive workflows</li><li>How Orbitrap Excedion technology can extend sensitivity, speed, and dynamic range</li></ul><blockquote>Presenter: Min Du (Senior Manager, Pharma/BioPharma Applications, Thermo Fisher Scientific)Min Du is the Senior Manager of Pharma/Biopharma Applications for Chromatography and Mass Spectrometry at Thermo Fisher Scientific. With extensive expertise in analytical workflows, she leads teams developing cutting-edge LC-MS solutions. Her work focuses on bioanalysis challenges, RNA oligonucleotide characterization, and advancing therapeutic workflows.Presenter: Troy Voelker (Senior Director of Laboratory Operations, Aliri Bioanalysis)Troy Voelker is an accomplished bioanalytical scientist with more than a decade of experience advancing high-resolution mass spectrometry. His career spans pioneering quantitative HRMS applications to today’s cutting-edge oligonucleotide bioanalysis, with deep expertise in developing methods for complex therapeutics.Moderator: Breana Murphy (Regional Marketing Manager LSMS-North America, Thermo Fisher Scientific)</blockquote></div></div></div>

Thermo Fisher Scientific: The Groundbreakers Series: Pushing Boundaries 

Advancing Oligonucleotide Bioanalysis with High-Resolution Mass Spectrometry

Join this webinar for a practical look at the evolution of HRAM mass spectrometry for quantitative bioanalysis.

Oligonucleotide Bioanalysis with HRMS

<div><div container-id="cq-colctrl-lt0" comp-id="A1"><div>Join our experts for an in-depth look at the new Thermo Scientific™ Orbitrap™ Tribrid™ Apex Mass Spectrometer, a flexible, high-performance platform engineered for greater speed, sensitivity, fragmentation flexibility, and performance across demanding analyses.Whether you’re working in proteomics and multiomics, structural biology, biopharmaceutical characterization, or small-molecule analysis, the Orbitrap Tribrid Apex MS combines high-resolution accurate-mass performance with advanced ion parallelization, flexible MSⁿ workflows, infrared-enabled fragmentation, and intelligent acquisition. Learn how these capabilities can help researchers gain deeper insight into complex samples, from identifying and quantifying low-level compounds to characterizing PTMs, protein complexes, and complex biotherapeutics.This session will also explore how the Orbitrap Tribrid Apex platform can be tailored to different scientific needs. Four application-focused editions for MultiOmics, Structural Biology, BioPharma, and Small Molecule research extend the core capabilities of Tribrid mass spectrometry with specialized functionality for different workflows. Our experts will discuss how these capabilities can be applied to real experimental challenges and answer your questions about the platform, applications, and workflows.&nbsp;<h5>Who should attend?</h5>Mass spectrometry scientists, researchers, and laboratory leaders working in small-molecule characterization and quantitation, proteomics and multiomics, structural biology, or biopharmaceutical characterization.<h5>What you can expect to learn</h5><ul><li>The speed, sensitivity, fragmentation flexibility, and ion parallelization available with the Orbitrap Tribrid Apex MS</li><li>The distinct capabilities of the Small Molecule, MultiOmics, Structural Biology, and BioPharma editions</li><li>Ways advanced fragmentation, intelligent acquisition, and flexible MSⁿ workflows can provide deeper structural and molecular insight</li><li>Where Native MS, Direct Mass Technology mode, IR-assisted fragmentation, and PTCR can add value</li></ul><blockquote>Presenter: Rafael Melani, PhD (Senior Manager, Product Management, Thermo Fisher Scientific)Dr. Rafael D. Melani is a Senior Product Manager for Orbitrap Tribrid Mass Spectrometers at Thermo Fisher Scientific. He earned his PhD in Biochemistry and has extensive expertise in top-down and bottom-up proteomics, native MS, mass spectrometry, and proteoform characterization.Presenter: Graeme McAlister (Principal Scientist, Research &amp; Development, Thermo Fisher Scientific)Graeme McAlister is a Principal Scientist at Thermo Fisher Scientific working on the Orbitrap Tribrid product line. He earned his PhD at the University of Wisconsin–Madison and completed postdoctoral research at Harvard Medical School, where he developed the SPS MS3 TMT workflow.Moderator: Breana Murphy (Regional Marketing Manager LSMS-North America, Thermo Fisher Scientific)</blockquote></div></div></div>

Ask the Expert: Explore the New Thermo Scientific™ Orbitrap™ Tribrid™ Apex Mass Spectrometer

Join our experts for an in-depth look at the new Thermo Scientific™ Orbitrap™ Tribrid™ Apex Mass Spectrometer

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