<p><strong>The study presents a remote deep ultraviolet laser ablation inlet connected to a dual electrospray ionization–atmospheric pressure chemical ionization (rDUVLAESCI) source for molecular mass spectrometry. This system enables simultaneous spatial acquisition of MS data for diverse organic molecules, offering improved detection of both polar and nonpolar compounds. With a deep 193 nm UV laser, the system allows precise sampling from dried spots, supporting molecular MS imaging (MSI) at resolutions down to 3 μm.&nbsp;</strong></p><p>The rDUVLAESCI dual source provides complementary ionization modes, achieving high analyte sensitivity across a broad molecular range. Demonstrations include mapping psychoactive substances on latent fingerprints, linking chemical and biometric data for enhanced forensic analysis.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04392"><strong>Remote Deep-Ultraviolet Laser Ablation in Connection with Electrospray Ionization–Atmospheric Pressure Chemical Ionization (rDUVLAESCI): A Novel Dual Ionization Source for Molecular Mass Spectrometry</strong></a></h4><p>Barbora Papoušková, Petr Fryčák, Filip Gregar, Karel Lemr, and Tomáš Pluháček</p><p>Anal. Chem. 2025, 97, 4, 2062–2069</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.analchem.4c04392">https://doi.org/10.1021/acs.analchem.4c04392</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p>Ambient mass spectrometry (MS) has become a powerful tool for analyzing a wide variety of molecules under native conditions. <a href="javascript:void(0);" aria-label="reference 1">(1)</a> One of the most advanced ambient techniques is represented by laser ablation/desorption followed by the post-ionization of desorbed neutral particles by anionization source, namely, electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI), and atmospheric pressure photoionization (APPI). <a href="javascript:void(0);" aria-label="reference 2">(2)</a> During the last two decades, considerable efforts have been devoted to the development of advanced laser ablation electrospray ionization (LAESI) source designs. Lasers with wavelengths ranging from the deep UV (DUV) to the far IR have been successfully coupled with ESI, APCI, APPI, and low-temperature plasma ionization (LTP) to ionize various molecules with significantly different polarity and molecular weight. <a href="javascript:void(0);" aria-label="reference 2 to 4">(2−4)</a></p><p>In addition, UV and DUV laser ablation have attracted attention for their ability to focus the laser beam to small spots (low μm scale) and for the efficient absorption of short wavelengths by a wide range of molecules or sample surfaces, respectively. The efficient desorption/ablation of minute samples within a single laser pulse without any extensive analyte fragmentation <a href="javascript:void(0);" aria-label="reference 5 to 7">(5−7)</a> has allowed the DUV-LAESI/APPI/LTP MS analysis/visualization of intact small molecules, metabolites, <a href="javascript:void(0);" aria-label="reference 8 to 12">(8−12)</a> lipids, <a href="javascript:void(0);" aria-label="reference 5, 10 and 12">(5,10,12)</a> dyes/inks, <a href="javascript:void(0);" aria-label="reference 9">(9)</a> or even proteins <a href="javascript:void(0);" aria-label="reference 13 to 17">(13−17)</a> in various matrices ranging from model wet or dried spots <a href="javascript:void(0);" aria-label="reference 8, 11, 13, 14 and 16">(8,11,13,14,16)</a> and banknotes <a href="javascript:void(0);" aria-label="reference 9">(9)</a> to biological tissue sections. <a href="javascript:void(0);" aria-label="reference 5, 7, 10, 12, 14, 15 and 17">(5,7,10,12,14,15,17)</a> To the best of our knowledge, there has been no publication describing universal ion source design simultaneously acquiring DUVLAESI and DUVLAAPCI signals within a single analytical run with a variable laser spot size at the μm scale for direct analysis as well as for imaging purposes.</p><p>This study is aimed at the development and characterization of a novel dual rDUVLAESCI ion source that facilitates simultaneous electrospray and chemical ionization. Its applicability covers comprehensive direct analysis as well as MS imaging of a plethora of organic molecules. The source features a new custom-built interface and enables the automatic acquisition of rDUVLAESCI (ESI and APCI modes) data in a single analytical run. The simultaneous dual-mode acquisition facilitates new possibilities for the straightforward analysis of complex samples containing analytes of widely varying polarity. Analytes ranging from polar organic molecules to aromatic hydrocarbons were effectively ionized. Moreover, the proposed design with a remote laser ablation chamber provides an excellent lateral resolution of 3–160 μm and analytical performance allowing the analysis of minute samples. MSI of the traces of new psychoactive substances (naphyrone, butylone, cathinone, and flephedrone) visualized latent fingerprints linking illicit drug abuse with the identification of individuals.</p><h3><strong>Experimental</strong></h3><h4><strong>rDUVLAESCI Ion Source Setup</strong></h4><p>The full description of the developed rDUVLAESCI simultaneous dual acquisition source is presented in the <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.4c04392/suppl_file/ac4c04392_si_001.pdf">Supporting Information</a>. Briefly, an Analyte G2 remote UV laser ablation unit (Photon Machines, USA) with a 193 nm excimer nanosecond laser was connected to a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=synapt+g2"><strong>Synapt G2-S hybrid Q-TOF mass spectrometer (Waters Corporation, UK)</strong></a> via a proprietary interface designed for the commercially available ESCI Multimode ionization source (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04392#fig1" data-tab="pane-pcw-Figures" id="">Figure 1</a>). The optimized parameters for rDUVLAESCI–MS and rDUVLAESCI–MSI automated data acquisition within a single analytical run are summarized in the <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.4c04392/suppl_file/ac4c04392_si_001.pdf">Supporting Information</a>. The mass spectra collected from the spot analyses were evaluated using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=masslynx"><strong>MassLynx 4.1 software (Waters Corporation, UK)</strong></a>. Extracted time-resolved data from imaging experiments were visualized using the ILAPS software originally developed for laser ablation data reduction and imaging applications. <a href="javascript:void(0);" aria-label="reference 18">(18)</a></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2025_97_4_2062_2069_Figure_1_The_r_DUVLAESCI_interface_is_mounted_in_the_Waters_ESCI_Multimode_ionization_source_The_cloud_of_ablated_material_is_transported_orthogonally_toward_the_MS_inlet_into_523539839d.jpeg" alt="Anal. Chem. 2025, 97, 4, 2062–2069 - Figure 1. The rDUVLAESCI interface is mounted in the Waters ESCI Multimode ionization source. The cloud of ablated material is transported orthogonally toward the MS inlet into the ESI/APCI source" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2025_97_4_2062_2069_Figure_1_The_r_DUVLAESCI_interface_is_mounted_in_the_Waters_ESCI_Multimode_ionization_source_The_cloud_of_ablated_material_is_transported_orthogonally_toward_the_MS_inlet_into_523539839d.jpeg 224w," sizes="100vw" width="918" height="640"></p><h4><strong>Preparation of Standards for Spot Analysis</strong></h4><p>A set of reference analytes differing in polarity and molecular weight was used to characterize the ionization properties. For each analyte, the stock standard solution of 1 mg mL–1 was prepared in either heptane (anthracene), isopropanol (butylone, cathinone, flephedrone, naphyrone, ethyl stearate, squalene, stearic acid, and PEG 600), acetone (stearyl stearate), or methanol (palmitic acid), based on solubility. A 2 μL aliquot was pipetted onto the microscopic slide and left to dry at laboratory temperature to create a spot with an average diameter of 14 mm.</p><h4><strong>Preparation of Latent Fingerprints with Traces of New Psychoactive Substances</strong></h4><p>The two model latent fingerprints with trace amounts of new psychoactive substances were prepared to demonstrate the applicability of rDUVLAESCI–MS in molecular MSI. The following 5-step procedure was used to prepare minute volume samples: application of 50 μL of butylone and naphyrone (1 mg mL–1) on the microscopic slide (2.5 × 5 cm); spreading over the desired area; the complete drying of the slide at laboratory temperature; touching the microscope glass surface with a thumb; and a collection of latent fingerprints by printing on a new clean microscope glass. The second latent fingerprint sample with flephedrone and cathinone was prepared by using the same procedure with two donors placing their thumbs on the same microscopic slide to create partially overlapping fingerprints. The prepared latent fingerprints were subjected to MSI of endogenous and exogenous analytes using rDUVLAESCI–MSI. Personal identification was based on comparing characteristic dactyloscopic features of the drug and sebum-based 2D maps with the reference fingerprint visualized by a metallic dactyloscopic powder (bronze).</p><h3><strong>Results and Discussion</strong></h3><h4><strong>Visualization of New Psychoactive Substances on Latent Fingerprints Followed by Personal Identification</strong></h4><p>The rDUVLAESCI–MSI was probed on latent fingerprints collected from donors after direct contact with either dried flephedrone and cathinone or naphyrone and butylone. The simultaneous rDUVLAESCI–MSI acquisition allowed us to visualize the spatial distribution of new psychoactive substances adhered to papillary lines (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04392#fig6" data-tab="pane-pcw-Figures" id="">Figure 6</a>), even in the case of the partially overlapped latent fingerprints (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04392#fig7" data-tab="pane-pcw-Figures" id="">Figure 7</a>). The proper optimization of the laser frequency (20 Hz), helium gas flow rate (0.65 L min<sup>–1</sup>), and synchronization with MS scanning frequency (acquisition of 2 spectra per pixel) enables the reconstruction of the 2D images showing reliable and non-affected papillary line patterns with negligible carryover (no sebum-related signal detected between papillary lines). Therefore, the sebum-related compounds and the new psychoactive substances (wet fingerprint) highlighted the characteristic papillary line profile that is essential for direct forensic personal identification. The reconstruction of the papillary line pattern was based on detecting the sebum constituents, namely, squalene, cholesterol, waxes, etc. (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04392#fig5" data-tab="pane-pcw-Figures" id="">Figures 5</a> and <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04392#fig7" data-tab="pane-pcw-Figures" id="">7</a>).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2025_97_4_2062_2069_Figure_6_a5d6c4fbba.jpeg" alt="Anal. Chem. 2025, 97, 4, 2062–2069 - Figure 6. Molecular MSI of butylone and naphyrone adhered to a latent fingerprint collected from the male and female donors. rDUVLAESCI–MSI 2D images for butylone (top) and naphyrone (bottom)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2025_97_4_2062_2069_Figure_6_a5d6c4fbba.jpeg 245w," sizes="100vw" width="1272" height="740"></p><p>The palmitoyl oleate image revealed an overlapped papillary pattern of two donors, who underwent the standard forensic fingerprint matching approach. The comparison of the characteristic dactyloscopic features provided positive matching with a visualized reference fingerprint (at least ten dactyloscopic markers are required for personal identification in Czechia and Slovakia). Even in the case of the overlapped fingerprint belonging to the donors who came into contact with flephedrone, personal identification was achieved (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04392#fig7" data-tab="pane-pcw-Figures" id="">Figure 7</a>). More than 15 characteristic features of overlapped fingerprints were detected. The simultaneous rDUVLAESCI–MSI renders the link between molecular features and biometric information.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2025_97_4_2062_2069_Figure_7_7718081f70.jpeg" alt="Anal. Chem. 2025, 97, 4, 2062–2069 - Figure 7. Dactyloscopic identification of the male and female donor visualizing constituents of fingerprints. 2D image: (A) co-reregistration of the cathinone and flephedrone with the fingerprint pattern; (B) palmitoyl oleate overlapped image of both persons, the thicker latent fingerprint was collected for the female donor; and (C) reference fingerprints visualized using a standard dactyloscopic approach. The positive dactyloscopic markers confirmed personal identification for both new psychoactive substances containing fingerprint donors." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2025_97_4_2062_2069_Figure_7_7718081f70.jpeg 132w," sizes="100vw" width="958" height="1135"></p><h3><strong>Conclusions</strong></h3><p>Our work has introduced a novel comprehensive ambient technique for complex analysis. The simultaneous acquisition of rDUVLAESCI mass spectra within a single analytical run enables the analysis of various molecules differing significantly in their polarity. The technique opens a new window in comprehensive molecular MS either for dried spot samples or for visualization of the spatial distribution of analytes. The fully automated rDUVLAESCI–MSI provided a reliable image of the molecular distribution with a variable spatial resolution in the range from 160 to 3 μm. 2D images visualizing new psychoactive substances on latent fingerprints were used for direct personal identification, even in the case of overlapping fingerprints. The successful dactyloscopic identification confirms the image quality robustness for forensic applications.</p>

Remote Deep-Ultraviolet Laser Ablation in Connection with Electrospray Ionization–Atmospheric Pressure Chemical Ionization (rDUVLAESCI): A Novel Dual Ionization Source for Molecular Mass Spectrometry

<p><strong>Preanalytical factors, such as delays in centrifugation and freezing, can significantly impact metabolomics research by altering metabolite concentrations. This study examined controlled delays in blood samples collected in different tube types, quantifying metabolites using NMR spectroscopy and modeling their stability. The concept of a "stability time point" was introduced to mark when metabolite levels change by 20%.&nbsp;</strong></p><p>The PRIMA Panel, an open-source R Shiny tool, was developed to help researchers assess these effects and generate performance reports. Validated in a biobank setting, the tool enhances quality control and ensures reliable metabolomics analyses.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04938"><strong>Validating Centralized Biobanking Workflows for NMR Metabolomics Using the PRIMA Panel</strong></a></h4><p>Heidi Altmann, Marko Barovic, Katrin Straßburger, Maximilian Tschäpel, Sophie Jonas, David M. Poitz, Alexia Belavgeni, Triantafyllos Chavakis, Peter Mirtschink and Alexander M. Funk</p><p>Anal. Chem. 2025, 97, 5, 2762–2769</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.analchem.4c04938">https://doi.org/10.1021/acs.analchem.4c04938</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p>In modern centralized biological repositories (biobanks), it is recommended to collect comprehensive preanalytical information for each submitted sample to effectively control for potential confounding factors and errors. This includes time-stamps for sample collection, centrifugation and freezing times. <a href="javascript:void(0);" aria-label="reference 17">(17)</a> Such preanalytical information can be categorized using the SPREC (Standard PREanalytical Code), which is a seven-letter code that classifies the preanalytical quality of a sample. <a href="javascript:void(0);" aria-label="reference 18">(18)</a> Each letter represents a different preanalytical condition, including sample material, type of tubes, as well as storage conditions. The pre- and postcentrifugation delays are categorized by letters 2 and 6, respectively. These letters categorize processing delays ranging from &lt;30 min (A1) to &gt;48 h (H) and indicate whether the delays occurred at room temperature (RT) or in a cooled state (2–10 °C). In a clinical setting or a centralized biobank the pre- and postcentrifugation delay can vary substantially from sample to sample. <a href="javascript:void(0);" aria-label="reference 19 to 21">(19−21)</a></p><p>Measurements of metabolic parameters from such a collection can be problematic, due to the potential range of these processing delays. Here, we investigated the detailed effects of prolonged pre- and postcentrifugation times on metabolic parameters using NMR Spectroscopy with the objective of establishing a sample quality control tool for sample cohorts with varying processing delays. First, experiments were performed to observe the direct effect of prolonged pre- and postcentrifugation delays. These data were then used to generate linear mixed models that allow for prediction and quantification of the changes each metabolic parameter undergoes with prolonged processing delays. Finally, we aimed to validate samples obtained from a preanalytical workflow that contain variable pre- and postcentrifugation delays (e.g., centralized biobank) for NMR-based metabolomics. Here, we introduce the PRIMA Panel (<strong>Pr</strong>e-Analytical <strong>I</strong>nvestigator for NMR-based <strong>M</strong>et<strong>a</strong>bolomics). The PRIMA Panel, an open-source tool, was created to allow researchers to directly assess the preanalytical information on their sample cohorts and observe the effects of preanalytic variability on metabolic parameters. Bruker BioSpin offers a commercially available tool termed BiobankQC, for plasma/serum and urine samples analyzed using NMR spectroscopy and their IVDr methods. This panel provides an overview of proper sample preparation, potential contamination, and the accuracy of NMR measurements. Additionally, it detects the anticoagulant used in collection tubes (e.g., citrate) and evaluates matrix integrity parameters (e.g., lactate, glucose), which reflect preanalytical variations such as bacterial growth or improper temperature handling during preanalytical procedures. The panel also assesses changes in the concentration and chemical shift of rapidly varying metabolites like glucose and lactate caused by prolonged preanalytical delays. However, it only delivers a basic pass/fail output for these parameters. PRIMA was developed to enhance this functionality, offering a broader range of information on processing delays, and a user-friendly overview tailored for biobank users.</p><p>A cohort from the Biobank Dresden (BBD) was used to highlight a realistic range of preanalytical variations and provide an example workflow for the PRIMA Panel. The PRIMA Panel could prove useful in cases where samples were collected in a unique clinical situation with no possibility of repeating sample collection.</p><h3><strong>Experimental</strong></h3><h4><strong>NMR Spectroscopy</strong></h4><p>Sample preparation and <sup>1</sup>H NMR spectroscopy measurements were performed according to established protocols <a href="javascript:void(0);" aria-label="reference 14 and 16">(14,16)</a> and following the Bruker IVDr Methods protocols. All NMR measurements were carried out on a Bruker BioSpin 600 MHz AVANCE NEO equipped with a BBI-Probe (5 mm) and a Bruker SampleJet robot with a cooling system for sample storage at 4 °C. A full quantitative calibration was performed before each measurement. The panels used for the metabolic profiles were B.I.Quant-PS (version 2.0.0) and B.I.LISA (version 1.0.0), which include up to 42 metabolic parameters and 112 lipid subclass parameters. The names of the B.I.LISA parameters were changed for clarification (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.4c04938/suppl_file/ac4c04938_si_001.pdf">Table S1</a>). The BiobankQC-PS (version 1.0.0) was also measured.</p><h4><strong>Analysis and Programming</strong></h4><p>Metabolites with more than 30% missing values were removed from the analysis. Statistical analysis and model creation were performed in R utilizing the packages “rstatix”, “lme4” and “performance”. Models were created with about 2/3 of the measured samples (<i>n</i> = 20), and the remaining samples were used for the validation cohort (<i>n</i> = 10 for precentrifugation, <i>n</i> = 7 for postcentrifugation). The linear mixed models were created with cell count as a random slope and donors as random intercepts (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.4c04938/suppl_file/ac4c04938_si_001.pdf">Tables S4 and S5</a>). The validation cohort was used to calculate the percentage mean error for the difference between predicted values from the models and actual values of the validation cohort. The PRIMA Panel application was written in the R environment <a href="javascript:void(0);" aria-label="reference 22">(22)</a> and utilizes the package shiny <a href="javascript:void(0);" aria-label="reference 23">(23)</a> to display it as a web application. A web version of the application is permanently hosted on the shinyapps.io platform via <a target="_blank" rel="noopener noreferrer" href="https://funkam.shinyapps.io/PRIMA/">https://funkam.shinyapps.io/PRIMA/</a>. The source code, as well as the original data tables, are available on GitHub via <a target="_blank" rel="noopener noreferrer" href="https://github.com/funkam/PRIMA">https://github.com/funkam/PRIMA</a> and available for local deployment.</p><h3><strong>Results and Discussion</strong></h3><h4><strong>Pre-analytical Investigator for NMR-Based Metabolomics (PRIMA Panel)</strong></h4><p>Furthermore, an R Shiny web application was created using the previously presented linear mixed models. This application enables users to assess the effects of preanalytic variation on their data and generate performance reports for their sample collection. The tool is hosted online permanently but can also be run locally using the code deposited in GitHub.</p><p>The panel is split into two different parts. First, in the “Data” module, the data of the preanalytical variation experiments, the linear mixed models and the stability time points are presented in interactive table and plots. Here, users can set their own threshold (in percent) for the stability time points and the metabolic parameters are automatically categorized into SPREC and sorted according to their time points as a means to explore the data in more detail. The timeline plots analogous to those in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04938#fig2" data-tab="pane-pcw-Figures" id="">Figures 2</a> and <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.4c04938/suppl_file/ac4c04938_si_001.pdf">S4</a> are also reproduced. This part of the panel is designed as a quick reference guide and as an extension of the data presented here.</p><p>The “Performance” module of the PRIMA Panel provides a more granular view of the concentration changes of the measured analytes, as well as an overview of the preanalytical information on a sample collection. Users can enter the data for a single sample and explore the effects using an interactive slider (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04938#fig4" data-tab="pane-pcw-Figures" id="">Figure 4</a>A) or upload a file with preanalytical information on a sample collection. A tool is available to prepare a table in the format required for the reports, which automatically calculates pre- and postcentrifugation delays from date-time stamps. To calculate the postcentrifugation delay accurately, it is also possible to set the centrifugation time in case the time stamps were obtained from the beginning of the centrifugation. The tool also generates performance reports containing the SPREC classification and a variety of visualizations that provide an overview of the preanalytic characteristics of the cohort (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04938#fig4" data-tab="pane-pcw-Figures" id="">Figure 4</a>B–D).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2025_97_5_2762_2769_Validating_Centralized_Biobanking_Workflows_for_NMR_Metabolomics_Using_the_PRIMA_Panel_Figure_4_4d3dc4d69e.jpeg" alt="Anal. Chem. 2025, 97, 5, 2762–2769 - Validating Centralized Biobanking Workflows for NMR Metabolomics Using the PRIMA Panel - Figure 4. “Performance” module of the PRIMA Panel. (A) Snapshot of the user interface, and presentation of the analytical plots for the reduced DILB cohort of just serum samples (B–E). Histogram, density plot, and SPREC distribution are produced automatically." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2025_97_5_2762_2769_Validating_Centralized_Biobanking_Workflows_for_NMR_Metabolomics_Using_the_PRIMA_Panel_Figure_4_4d3dc4d69e.jpeg 245w," sizes="100vw" width="2088" height="1274"></p><p>The final part of the PRIMA Panel involves predicting levels of metabolic parameters. Here, in vitro changes in concentrations of metabolic parameters are estimated using a combination of two different linear mixed models for pre- and postcentrifugation delays. The prediction results are presented as a dynamic table that users can customize for colors and thresholds (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c04938#fig4" data-tab="pane-pcw-Figures" id="">Figure 4</a>E). The MPE, as mentioned above is included as an interactive input variable and parameters can be filtered using the “Tolerable Error” panel. In summary, users upload a table with datetime-stamps for collection, centrifugation and freezing and the tool creates automated analytical plots, as well as provides information about the metabolic changes expected for each sample. The output can be saved as an interactive HTML document. The PRIMA Panel is permanently hosted online (<a target="_blank" rel="noopener noreferrer" href="https://funkam.shinyapps.io/PRIMA/">https://funkam.shinyapps.io/PRIMA/</a>). The source code is openly available and can be deployed locally.</p><h3><strong>Conclusion</strong></h3><p>In this study, a combination of pre- and postcentrifugation delays was modeled to obtain a comprehensive overview of preanalytical process for metabolomics samples in the setting of a centralized biobank. The models were used to identify metabolic parameters that change due to these processing delays. A validation cohort was used to investigate the robustness of these models. Next, these models and data were combined to create the PRIMA Panel, which allows the exploration of the data and provides output in form of performance reports. The data presented here highlight the importance of tracking preanalytical information for biobanking repositories. Additionally, it provides a flexible tool to investigate the direct effect of preanalytic delays on metabolic parameters facilitating data driven filtering of samples and parameters to increase the reliability of subsequent analyses.</p>

Validating Centralized Biobanking Workflows for NMR Metabolomics Using the PRIMA Panel

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 17th February 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies&nbsp; </strong>and <strong>Shimadzu </strong>and product spotlight by<strong> Thermo Fisher Scientific</strong>!</p><h4><strong>1. Agilent Technologies: Extractable Pollutants from Microplastics to Vegetables: Incorporation to the Food Chain</strong></h4><p><strong>Using static headspace GC/MS with the Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890%2F5977B"><strong>8890 GC and 5977B GC/MSD</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_extractable_pollutants_from_microplastics_to_vegetables_5994_7882en_agilent_5b4df39dff.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Most studies of organic pollutants in vegetables focus on persistent organic pollutants (POPs)<sup>10,11</sup>, which are extracted from samples and usually monitored by liquid chromatography (LC).<sup>12</sup> However, the accumulation of MP-associated pollutants in vegetables has hardly been evaluated.</p><p><strong>This application note presents:</strong></p><ol><li>A developed and validated approach to the targeted and<br>untargeted analyses of MP-associated pollutants found in vegetables</li><li>Quantitation of MP pollutants</li><li>Assessment of the influence of vegetable type (edible- versus nonedible-roots) on the intake of MP-associated pollutants</li><li>The accumulation and environmental migration pathways of the MP pollutants</li></ol><p>In this application note, an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=SHS-GC%2FMS"><strong>SHS-GC/MS</strong></a> method involving a static headspace coupled to an 8890 GC and 5977B GC/MSD was used for the evaluation of volatile extractables from plastic residues present in vegetable matrices. This technique is well suited to extract volatile compounds from different samples due to its simplicity, automation, speed, low cost, and minimal sample preparation requirements.<sup>13–15</sup> Additionally, the application of MS in combination with a spectral deconvolution and retention indices (RIs) enabled advanced detection and identification of volatile MPassociated pollutants in vegetable matrices.&nbsp;</p><h4><strong>Conclusion</strong></h4><p>A straightforward, reliable, and robust SHS-GC/MS methodology using an Agilent 8890 GC and an Agilent 5977B GC/MSD was developed to identify and quantify plasticassociated pollutants in vegetable samples. The method represents a preliminary approach to assess the impact of agricultural MP contamination on food. The obtained data add new information to the mobility of MP leachates from agricultural soils to vegetables. The application of chemometrics to the dataset acquired from the SHS-GC/MS analysis has demonstrated that the accumulation of these organic pollutants was higher in edibleroot than nonedible-root vegetables. The main contributors to this differentiation were 2,4-di-tert-butylphenol, cumene, 2-tert-butyl-4 methylphenol, and 2,4-dimethylphenol, which are chemicals associated with plastic contamination. Specifically, cumene may be related to polystyrene (PS) pollution.</p><p>A total of 92 putative compounds were accurately identified using spectral deconvolution retention indices (RIs). In the samples, plastic-associated compounds were quantified. Their contents varied from 0.14 to 28,800 ng/g for 2,4-di-tert-butylphenol and p,α-dimethylstyrene, respectively. The presence of phenylacetaldehyde in all the samples, as well as styrene, cumene, and p,α-dimethylstyrene in some of them, indicated PS contamination. Other compounds found in the studied vegetables, such as xylene isomers and ethylbenzene, highlighted potential contamination of other polymeric materials like polyvinyl chloride (PVC) or polyethylene terephthalate (PET).</p><h4><strong>2. Shimadzu: Analysis of Essential Oil Using GC-MS/FID Detector Splitting System</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00819_en_c5c92dcd13.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>The detector splitting system allows for simultaneous acquisition of MS and FID data in a single measurement.</li><li>Even complex samples can undergo simplified statistical analysis using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=eMSTAT+Solution"><strong>eMSTAT Solution<sup>TM</sup></strong></a>.</li><li>The combination of the compact <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GC-2050"><strong>Brevis<sup>TM</sup> GC-2050</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2050"><strong>GCMS-QP2050</strong></a> enables space-saving in the laboratory.</li></ul><p>In this application, five types of Hinoki oils, including Hinoki oil made by our company and Hinoki oils from different regions, were analyzed using the detector splitting system between MS and FID. The results from MS were compared using eMSTAT Solution to analyze the composition of the components. Additionally, the quantification of δ Cadinene, an important aromatic component that is a sesquiterpene was conducted using FID, which showed high calibration linearity over a wide concentration range. Furthermore, with a compact width of approximately 63 cm, the device configuration of Brevis GC-2050 + GCMS-QP2050 not only contributes to space-saving in the lab but also demonstrates high analytical performance.</p><h5><strong>Essential Oil Analysis Using GC-MS/FID</strong></h5><p>In quality control (QC) of fragrances like Hinoki oil, where a wide concentration range is typically expected, GC-FID, which provides detector response over a broad range, is commonly used. By comparing the chromatogram shapes of product samples obtained during the production process with approved reference samples, the component profile is confirmed. However, in the case of Hinoki oil containing numerous components, qualitative analysis of each peak becomes challenging with an FID detector. Therefore, by using the detectorsplitting system between MS and FID, it is possible to obtain data from both MS and FID simultaneously in a single measurement. This allows for the usual confirmation of chromatogram shapes with FID and enables qualitative analysis with MS when unknown components are detected.</p><h5><strong>System Configuration and Analysis Conditions</strong></h5><p>The system configuration and analysis conditions are shown in Table 1 and 2, respectively In this analysis, SMI (Smart Micro Inert) FLOW DEVICE 2-Way Splitter for detector splitting was used (Fig. 1). The SMI FLOW DEVICE is a capillary flow device for analysis with features such as low leakage, low dead volume, low heat capacity, and inertness. This allows for the analysis of highly adsorptive components. We adjusted the inner diameter of the resistors used for MS/FID detector Splitting, as well as the pressure of the AUX-APC (Digital Flow Controller), to set the split ratio at approximately 1:3 for MS:FID. By using eMSTAT Solution for analysis, we visually grasped the differences in component characteristics of each Hinoki oil and identified the compounds contributing to those differences.</p><h4><strong>Conclusion</strong></h4><p>Five different types of Hinoki oils were analyzed using a detector splitting system with MS and FID. When conducting multivariate analysis with the results from MS using eMSTAT Solution, it was possible to visually capture the differences in component characteristics. It was revealed that (-)-Borneol is a characteristic component of Shimadzu oil. Additionally, accurate quantification of δ-Cadinene, which varies significantly in concentration among samples, was achieved using FID.</p><h4><strong>3. Thermo Fisher Scientific: Fully automated method implementation for compliant analysis of polychlorinated dibenzodioxins/furans by GC-MS/MS</strong></h4><ul><li>Other</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003541_gc_ms_eworkflow_dioxin_sl003541_na_en_9f48797bef.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Performance-based methodology for dioxin analysis is applied within the EU to ensure accurate reporting of dioxin levels within food and feed. Results are evaluated according to strict quality control and reporting criteria. For analytical testing laboratories, this often means a significant time investment for adoption and implementation of the methodology for dioxin analysis, as well as a requirement for highly skilled operators. Even for laboratories experienced with GC-MS-based test procedures, the addition of dioxin testing to the overall portfolio is demanding. To simplify this process, a dedicated eWorkflow™ template is available within the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=chromeleon"><strong>Chromeleon™</strong></a> Chromatography Data System. This eWorkflow template is available for the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TSQ+9610"><strong>TSQ™ 9610 </strong></a>triple quadrupole GC-MS/MS system and is free to download from the Thermo Scientific™ AppsLab™ Library of Analytical Applications (Dioxin eWorkflow).&nbsp;</p><p>Processing methods within the Dioxin eWorkflow template use isotopic dilution for quantitation, allowing users to perform data acquisition and real-time quantitation within the same software. Spiking levels of both syringe and internal standard can be defined per injection, permitting samples spiked with different levels of internal or syringe standard concentration to be analyzed in a single sequence. This can be seen in Figure 3 where internal standard concentration level within the sequence is defined at different levels for calibration standards (i.e., PCDD/F CS1), check standards (LOQ, LOQ/2, LOQ/4), and blank/sample injections (Sample).</p><p>The Dioxin eWorkflow template allows analytical testing laboratories to easily implement compliant analytical methodology for dioxin analysis. It delivers validated data acquisition/processing methods and reporting templates for dioxin analysis, helping remove time-consuming steps around method development and data processing.</p><p><strong>Included within the Dioxin eWorkflow template:</strong></p><ul><li>Injection sequence templates with pre-optimized analytical parameters for method injection and data acquisition.</li><li>Incorporation of isotopic dilution quantitation, removing the need for additional software or script writing to perform data calculations.</li><li>Interactive tables and charts to facilitate quick data evaluation for compliance purposes.</li><li>Fully customizable data evaluation and report layout templates based on the analyst’s needs.</li></ul>

News from LabRulezGCMS Library - Week 8, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 17th February 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies</strong>, <strong>Metrohm</strong>, <strong>Knauer</strong>, <strong>Shimadzu, Thermo Fisher Scientific&nbsp;</strong>and <strong>Waters Corporation!</strong></p><h4><strong>1. Agilent Technologies: A Study of Method Limit of Quantitation for 30 PFAS in Food</strong></h4><p><strong>Using </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=Captiva+EMR+PFAS"><strong>Captiva EMR PFAS</strong></a><strong> food passthrough cleanup by LC/MS/MS detection</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pfas_food_captiva_emr_lc_ms_ms_detection_5994_8028en_agilent_1_b13032f701.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This application note presents a study for the method limit of quantitation (LOQ) determination for 30 per- and polyfluoroalkyl substances (PFAS) targets in foods using a newly developed method of <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=QuEChERS"><strong>QuEChERS</strong></a> extraction followed by Agilent Captiva EMR PFAS Food cartridge passthrough cleanup, then LC/MS/MS detection. The LOQ<sub>spiking</sub> was determined as the lowest validated spiking level in food matrices, with acceptable method accuracy and repeatability results. The LOQ<sub>cal</sub> was calculated based on the standard deviation of LOQ<sub>spiking-A</sub> following the procedure published in 40 CFR Appendix B to Part 136.<sup>1</sup> Both LOQ<sub>spiking-A</sub> and LOQ<sub>cal-A</sub> from this method were compared against the required LOQ<sub>AOACr</sub> from the AOAC SMPR 2023.003 guideline.<sup>2</sup> The LOQ<sub>cal-A</sub> results from this method were also compared to LOQ<sub>cal-F</sub> from the U.S. Food and Drug Administration (FDA) method<sup>3</sup>, which uses the same calculation method to determine method LOQcal. The results showed that the newly developed method provided acceptable LOQs meeting the AOAC SMPR guideline requirements. The new method LOQ<sub>cal-A</sub> results were lower than the LOQ<sub>cal-F</sub> from the FDA method for foods in the same category.&nbsp;</p><h5><strong>Conclusion</strong></h5><p>A case study on the method limits of quantitation was conducted for the validated Agilent method for 30 PFAS in food. Method LOQ<sub>spiking-A</sub>, MDL<sub>A</sub>, and LOQ<sub>cal-A </sub>were summarized for 30 PFAS targets in all 15 food matrices.<br>Both method LOQ<sub>spiking-A</sub> and LOQ<sub>cal-A</sub> were compared to the LOQ levels required by the AOAC SMPR 2023.003 guideline and EU regulation; all met the accepted criteria, with few exceptions due to the significant positive detection of<br>target in food matrices. Method LOQ<sub>cal-A</sub> results were then compared between the Agilent and FDA C-010.03 methods, demonstrating a much lower method LOQ<sub>cal</sub> achieved by the Agilent method, which is attributed to the simplified method, higher matrix removal efficiency, and reduced matrix effect.&nbsp;</p><h4><strong>2. Metrohm: Ohmic iR drop</strong></h4><p><strong>Part 3 – Measurement with EIS</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_ec_036_download_f21cadeb11.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This Application Note introduces the third and final tool that is available to researchers—electrochemical impedance spectroscopy (<strong>EIS</strong>).&nbsp;</p><p>As mentioned in Part 2, although it is technically possible to estimate the ohmic drop, most of the time real systems are more complicated. As a consequence, the ohmic drop must be determined experimentally. There are three main experimental techniques for determining the iR drop:</p><ul><li>Current interrupt</li><li>Positive feedback</li><li>Electrochemical impedance spectroscopy (EIS)</li></ul><p>Within the Metrohm Autolab range of products, all modular and compact instruments equipped with a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=56&amp;search=FRA32M+module"><strong>FRA32M module</strong></a>, as well as VIONIC powered by<br>INTELLO, are able to perform EIS measurements across a wide frequency range. Of the three experimental techniques listed above, EIS is considered the most<br>accurate method, making it the recommended choice. It is important to exercise caution when using the other two methods, as their incorrect usage can sometimes result in data misinterpretation or even damage to the setup. Therefore, in the subsequent discussion, we will primarily focus on measuring the iR drop through EIS. More information regarding the current interrupt and<br>positive feedback methods can be found in Application Notes <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AN_EC_003_cd6e7a8e85/AN-EC-003.pdf"><strong>AN-EC-003</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AN_EC_004_894d8b80da/AN-EC-004.pdf"><strong>AN-EC-004</strong></a>.</p><h4><strong>3. Knauer: Increased sample loading capacity for online SPE-HPLC analysis of PAHs in water</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/VEV_0088_f053cd5693.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Polycyclic aromatic hydrocarbons (PAHs) are environmental pollutants and are<br>widespread across the globe mainly due to long-term anthropogenic sources<br>of pollution. Due to their high mutagenic and carcinogenic potential a sensitive<br>determination is mandatory. The used system configuration makes it possible to<br>switch between direct injection via autosampler and injection with an auxiliary pump (feed pump) without changing/replumbing the system. The use of autosampler injection or injection via feed pump enables the user to inject a broad variety of different volumes from µl to ml scale.</p><h5><strong>Conclusion</strong></h5><p>The used system configuration makes it possible to switch between direct injection via autosampler and injection with an auxiliary pump (feed pump) without changing/replumbing the system. The use of autosampler injection or injection via feed pump enables the user to inject a broad variety of different volumes from µl to ml scale. It was shown that the recovery of the SPE injection was in range from 80 %–120 % and all calibrations showed excellent linearity. The approach of injecting 1800 µl via the auxiliary feed pump has enhanced the detection limits. As seen in Tab. 6, the LOD was improved in a range from 50–90 %, still using a relatively low injection volume. Loading higher volumes on the SPE can lead to a further enhancement of the method sensitivity. Although, only six PAHs were investigated in detail, the method can also be used for the determination of all 16 PAHs according to EPA method 610.</p><h4><strong>4. Shimadzu: Rapid Screening of Illegally Added Drugs in Health Food Product by DPiMS-8060</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_03_dpims_011_en_f5aaf829b4.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Based on <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=PESI"><strong>PESI</strong></a> ionization technology, the simplified pretreatment and micro sampling are suitable for precious samples and reduce mass spectrometry contamination.</li><li>With a peak collection rate of up to 3 peaks per second, high-sensitivity rapid screening of 98 drugs (196 MRM channels) can be completed within 2.0 minutes.</li></ul><p>Health food refersto food with specific health functions. Criminals usually add illegal additives that can produce effects similar to prescription drugs in health foods, enhance the efficacy of health products, and make huge profits. It is necessary to establish a rapid detection method for illegal additivesin health food. In this Application News , a rapid analytical method for the determination of several illegally added drugs (β-receptor agonists, weight loss drugs, antihypertensive drugs, lipidlowering drugs, aphrodisiacs, antianxiety drugs) in health food was established using a probe electrospray ionization (PESI) mass spectrometer <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=DPiMS-8060"><strong>DPiMS-8060</strong></a> (Fig.1). The Principle behind the PESI Method was shown in Fig.2. This method can complete rapid qualitative screening of 98 illegally added drugs within 2.0 minutes. The sensitivity and precision of the method were evaluated, and the detection limits were 0.02-10 ng/mL; The<br>detection precision RSDs of all drugs were within 10%; Using commercially available oral liquids for a matrix spiked test, the target substances can be detected in the spiked samples. This method is fast, accurate, and highly sensitive, suitable for rapid qualitative screening of illegally added drugsin health food.</p><h5><strong>Conclusion</strong></h5><p>This Application News establishes a qualitative screening method for the rapid determination of 98 illegally added drugs in health food within 2.0 minutes using the probe electrospray ionization (PESI) mass spectrometer DPiMS-8060. In contrast, The LC-MS/MS method requires several times the analysis time<br>of this method to complete. This method saves a lot of sample processing and detection time, can significantly shorten the analysis cycle, and is particularly suitable for rapid screening of compounds.</p><h4><strong>5. Thermo Fisher Scientific: Screening of PFAS compounds in wastewater using adsorbable organic fluorine with combustion ion chromatography (CIC)</strong></h4><p><strong>Results from U.S. EPA draft Method 1621 collaboration study&nbsp;</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AN_002748_EPA_Method_1621_summary_d07525dac7.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances (PFAS) is the collective name for synthetic fluorinated compounds. A screening method, such as combustion ion chromatography (CIC), can be used to assess the total extent of PFAS contamination by determining organic fluorine in various matrices, including wastewater. In Application Note 002748, the results from Thermo Fisher Scientific’s IC application lab in Sunnyvale, California, as part of the multilaboratory validation study of EPA draft Method 1621, are presented alongside techniques needed for successful analyses.&nbsp;</p><h5><strong>Equipment</strong></h5><ul><li>Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=2&amp;search=Dionex+RFIC"><strong>Dionex™ RFIC</strong></a> microbore system</li><li>Compatible combustion-absorption system with offline<br>adsorption unit</li><li>Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=2&amp;search=Chromeleon%E2%84%A2"><strong>Chromeleon™</strong></a> Data System (CDS) software</li></ul><h5><strong>Conclusion</strong></h5><p>The method outlined in AN002748 demonstrates that CIC is an excellent tool to measure AOF and screen for PFAS in wastewater. The method is sensitive, with method blanks of 1 ng/mL and method detection limits (MDLs) of 2.5 ng/mL, and accurate, with recoveries of 80–120%. Together, these data highlight the<br>power of CIC in eliminating the sample matrix and measuring only adsorbable fluorine content in samples, successfully achieving the goals outlined in EPA draft Method 1621.</p><h4><strong>6. Waters Corporation: Routine PFAS Testing in Surface Water</strong><br><strong>Using TOP Assay and ACQUITY™ QDa™ II Mass Detector</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008648_en_5951187d34.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances (PFAS) have increasingly become a major environmental and public health concern due to their toxic properties and tendency to bioaccumulate in living organisms. Global widespread use of PFAS over many decades has meant that these compounds have become common and persistent environmental pollutants. Traditional testing methods are often challenged to capture the full extent of PFAS pollution; performing a total oxidizable precursors (TOP) Assay analysis allows for the assessment of perfluoroalkyl acid (PFAA) precursors in a given sample, by monitoring perfluoroalkyl carboxylic acid (PFCA) concentrations before and after sample oxidation. Eight surface water river samples were collected downstream from wastewater treatment plants across the northwest of England and analysed using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=5&amp;search=ACQUITY+QDa+II"><strong>ACQUITY QDa II</strong></a> Mass Detector. Results demonstrated a marked increase in summed PFCA content in all surface water samples analysed, underlining the utility of such techniques to support and supplement existing PFAS testing methodologies.&nbsp;</p><h5><strong>Benefits</strong></h5><ul><li>TOP Assay offers a means of assessing the burden of perfluoroalkyl acids (PFAAs) as well as their precursors in a single method, offering a complementary testing approach that can be used to analyse surface water samples</li><li>Utilising the ACQUITY QDa II Mass Detector for this analysis offers a cost effective, user-friendly, and reliable means of sample triage, using LC-MS and nominal mass information to support and compliment more sophisticated traditional testing methodologies</li></ul><h5><strong>Conclusion</strong></h5><p>Quantifiable increases in at least three of the six monitored PFCA compounds were observed in all surface water river samples examined in this workflow. This suggests a large presence of PFAA precursors or other unknown PFAS compounds within the samples, that otherwise may not have been fully captured, warranting further investigation. Large concentrations of PFBA were observed post-oxidation across most samples, suggesting that perfluoro-butyl precursors are the main type of PFAS precursors in the local rivers assessed.&nbsp;</p><ul><li>By comparing PFCA concentrations before and after oxidation, the TOP Assay can reveal the extent of “hidden” PFAA precursors that traditional PFAS workflows may not fully capture, therefore enhancing a laboratory’s detection capabilities</li><li>All eight surface water river samples tested showed a significant increase in total PFCA content following oxidation, with levels ranging from 63 to 2711 ng/L (ppt). This indicates a high degree of precursor contamination that legacy analysis may have overlooked</li><li>The ACQUITY QDa II Mass Detector is well-suited to this workflow, providing nominal mass data in a reliable and cost-effective LC-MS analysis, for complementary sample assessment</li><li>Effective triage of potentially contaminated environmental samples can help to support traditional LC-MS/MS PFAS testing methodologies&nbsp;</li></ul><h4><strong>7. Waters Corporation: A Simple LC-MS/MS Method for Simultaneous Analysis of 35 Anti-psychotics in Human Plasma for Clinical Research</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008636_en_8c3c142ab6.pdf"><strong>Full PDF for download</strong></a></li></ul><p>LC-MS/MS is a technique which allows selective and analytically sensitive analysis of large panels in single run sets. In this application note, we describe a simple and robust clinical research method for the simultaneous analysis of 35 antipsychotics in human plasma using an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=5&amp;search=ACQUITY%E2%84%A2+UPLC%E2%84%A2+I-Class+System%2FXevo+TQ-S+micro"><strong>ACQUITY™ UPLC™ I-Class System coupled with a Xevo™ TQ-S micro</strong></a> Mass Spectrometer as a tool in clinical research.&nbsp;</p><h5><strong>Benefits</strong></h5><ul><li>A method for simultaneous quantification of 35 antipsychotics in human plasma within one single LC-MS/MS run</li><li>Simple and cost-effective sample preparation</li><li>Injection to injection time of less than five minutes</li></ul><h5><strong>Conclusion</strong></h5><p>A Simple LC-MS/MS Method for Simultaneous Analysis of 35 Anti-psychotics in Human Plasma for Clinical Research. A method for the LC-MS/MS analysis of 35 anti-psychotics drugs was developed for clinical research. A number of advantages are highlighted:</p><ul><li>The sample preparation and analysis were fast, simple, and inexpensive, requiring only 50 µL of plasma and taking less than five minutes per injection</li><li>Total precision and repeatability were ≤8.7% CV and ≤7.4%, respectively</li><li>The method demonstrated good recovery and extraction efficiency for each analyte with minimal matrix effects</li></ul>

News from LabRulezLCMS Library - Week 8, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 17th February 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you applications by <strong>Agilent Technologies,&nbsp;Bruker, Metrohm, Shimadzu </strong>and<strong> Thermo Fisher Scientific!</strong></p><h4><strong>1. Agilent Technologies: ICP-OES Quality Control of Elements in Brines Produced by Direct Lithium Extraction (DLE)</strong></h4><p><strong>Automated analysis of lithium brines using an </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=ICP-OES+automation+system"><strong>Agilent ICP-OES Automation System</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_icp_oes_elements_brine_direct_lithium_extraction_5994_8041en_agilent_93bdef1f77.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Direct Lithium Extraction (DLE) technology is a selective process designed to recover lithium (Li) from underground raw Li brine deposits while removing impurities.<sup>1</sup> Compared to conventional Li extraction methods, such as mining hard rock ores or using brine evaporative methods, DLE is faster, consumes less water and power, produces less waste, and requires less land. Given these process and sustainability advantages, DLE is gaining significant attention from industry, academia, investors, and environmentalists.</p><h5><strong>Agilent ICP-OES Automation System</strong></h5><p>Robust instrumentation is therefore needed for the routine elemental analysis of large numbers of brine samples. An Agilent ICP-OES Automation System comprising the Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=5900+SVDV+ICP-OES"><strong>5900 SVDV ICP-OES</strong></a>, Advanced Valve System (AVS 7), Advanced Dilution System (ADS 2), SPS 4 autosampler, and instrument software was used in this study. The Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=5800+VDV"><strong>5800 VDV ICP-OES</strong></a> is also suitable for this application.&nbsp;</p><p>The 5900 ICP-OES uses a vertical plasma torch and a solid-state radio frequency (SSRF) generator operating at 27 MHz to create a plasma with the stability needed for the routine analysis of brines. The integrated AVS 7 switching valve ensures fast analysis times and reduces instrument exposure to solids in high TDS samples.<sup>3</sup> The accessory also minimizes carryover from sodium (Na) and prevents excessive torch devitrification, greatly reducing the frequency of instrument cleaning and extending the lifespan of parts.</p><p>The samples analyzed in this study were produced using a membrane-based DLE methodology and included a wide variety of sample matrices, with target analytes typically present across a broad range of concentrations. Some key analytes, such as Li, Na, and magnesium (Mg), are particularly important to quantify as they directly impact the efficiency of the DLE process.&nbsp;</p><p>To account for the different compositions and densities of the DLE samples, the ADS 2 was used to prepare calibration standards across a wide analytical range and to dilute the samples before analysis.<sup>4</sup> Both processes can be labor-intensive and time-consuming when performed by an analyst, as well as being potential sources of contamination and errors. The implementation of advanced autodilution technology for ICP-OES enhances sample turnaround time and minimizes the risk of human errors, while ensuring accurate results.</p><h5><strong>Conclusion</strong></h5><p>An Agilent ICP-OES Automation System comprising the Agilent 5900 SVDV ICP-OES, AVS 7, ADS 2, SPS 4 autosampler, and ICP Expert Pro instrument software was used to analyze 12 elements in real brine samples. The raw, tail (Li-free), and Li concentrate brine samples were sourced from before and after processing using a membrane-based Direct Lithium Extraction (DLE) technique. All samples were analyzed using a single method in a single run.</p><p>The IntelliQuant Screening method development tool within the software was used to set the calibration range for the analytes and to select the best analyte wavelengths. The use of the ICP-OES Automation System provided productivity and performance benefits for the brine application including:</p><ul><li>Automatic calibration. Completely automated calibration from three stock solutions removed the need to manually prepare standards to cover the wide and varying concentration range of analytes in the brines.</li><li>Prescriptive dilution. The ADS 2 was used to automatically dilute all three of the Li brine samples 50 times, so that the samples could be measured in a single run.</li><li>Reactive dilution. The ADS 2 automatically diluted the Li concentrate brine sample 200x in response to the concentration of Li exceeding the calibration range before remeasurement.</li><li>The ADS 2 also performed reactive dilutions on the raw brine (150x) and the tail brine (250x) to quantify Na.</li><li>Results summary report. The software selected the best measurement results to display from the available reactive dilution remeasurement results. It allowed for straightforward data viewing and reduced the amount of time required for manual data processing.</li><li>The AVS 7 minimized the exposure of the torch, nebulizer, and pump tubes to the high matrix samples. It also worked seamlessly with the ADS 2 to improve sample turnaround times.</li></ul><h4><strong>2. Bruker: IR-Spectroscopic Analysis of Polymer Fillers and Compatibilizers</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AN_M104_Polymer_filler_ALPHA_II_EN_dce568f395.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Many of today’s plastics are multi component systems with multiple constituents like different polymers, fillers, plasticizers and compatibilizers. By systematic selection and blending of these constituents in appropriate mixture ratios tailor made substances with optimized material properties can be made. An important topic for quality control and analytical purposes is the identification and quantification of the individual components present in such plastics.&nbsp;</p><p>Fourier transform infrared (FT-IR) spectroscopy is one of the fastest and most accurate methods for the analysis and quality control of polymers. High quality IR spectra can be recorded in a few seconds; usually there is no need for sample preparation or costs for expensive consumables. Within only a minute FT-IR spectroscopy allows to verify that a given product is within its specification or to quantify one or more of its constituents.</p><h5><strong>Measurement approach</strong></h5><p>Nowadays, quality control and routine analysis using IR spectroscopy is mainly performed applying the ATR (Attenuated Total Reflection) technique. As there is virtually no sample preparation required ATR is much more comfortable to use than the conventional transmission mode. For the analysis the sample has to be pressed on the ATR-crystal, which is the measurement interface. From the ATR-crystal, the IR radiation penetrates slightly (a few microns) into the sample surface. The IR detector of the FT-IR spectrometer can then measure the absorbance resulting from the sample. The ATR-technique can be applied for almost all types of samples (e.g. solids, liquids, powders, pastes, pellets, slurries, fibres etc.). The analysis takes less than a minute, including sampling, measurement and data evaluation. By using ATR, it is even possible to differentiate between the top layers of a polymer laminate, which cannot be achieved in transmission mode.</p><h5><strong>Instrumentation</strong></h5><p>The very compact <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=8&amp;search=Alpha+II"><strong>ALPHA II FT-IR</strong></a> spectrometer with the high pressure Platinum diamond ATR-module is a robust and affordable system that is very easy to operate. Diamond is a very hard-wearing, chemically inert and therefore ideal material for the analysis of a wide range of samples. In the platinum ATR-module the diamond is brazed into tungsten carbide. This extremely robust design allows the application of very high pressure so that even the hardest plastics can be measured. For the measurement of highly absorbing dark samples (e.g. black polymers) and thin layers an ATR-material with a high refractive index is required to limit the penetration depth of the IR-light into the sample. Therefore the Platinum ATR module can be equipped with a germanium (nGe = 4.0) crystal plate. To provide the user an unobstructed access to the sampling area, the pressure applicator can be rotated by 360°. The software is very intuitive and a software wizard guides the user through the analysis procedure.</p><h5><strong>Summary</strong></h5><p>The combination of Bruker Optics compact and robust FT-IR spectrometer ALPHA II with a high pressure diamond ATR unit is an ideal tool to analyze polymers, fillers and polymeradditives. The system allows quantifying single components in complex mixtures. The setup of new methods even for chemically similar polymers is quick and straightforward. A very intuitive work flow allows even spectroscopically inexperienced users to perform the analysis.<br>Altogether the ALPHA II is perfectly suited for the identification of fillers, the quantification of mixture components and the quality control of polymers.</p><h4><strong>3. Metrohm: Moisture content and rheology determination of fluorinated polyolefins using NIRS</strong></h4><p><strong>Moisture and melt flow rate analysis results within seconds</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_nir_119_download_ec261a206c.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Ethylene tetrafluoroethylene (ETFE) is a partially fluorinated copolymer of ethylene and tetrafluoroethylene. ETFE is a melt processable polymer, designed to have high corrosion resistance and strength over a wide temperature range. Some key quality parameters that should be monitored during the production of fluorinated polyolefins are melt flow rate (MFR) and moisture content. The measurement of these parameters usually involves using chemicals and can be time-consuming. Nearinfrared spectroscopy (NIRS) offers users rapid and reliable prediction of key quality parameters in ETFE without any sample preparation or cleaning procedures.&nbsp;</p><h5><strong>Experimental equipment</strong></h5><p>273 ETFE pellet samples with varying MFR and moisture content were measured on a <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=220&amp;search=NIR"><strong>Metrohm nearinfrared spectroscopic analyzer</strong></a> in reflection mode. All measurements were performed in rotation using a large sample cup to reduce the stray light effect caused by varying particle sizes. An overlay of the sample spectra is displayed in Figure 1.</p><h5><strong>Conclusion</strong></h5><p>This Application Note demonstrates the feasibility to determine mechanical properties and perform moisture analysis in fluorinated polyolefins like ETFE using NIRS. In comparison to the standard analytical methods (Table 1), quality control with NIR spectroscopy shows obvious advantages regarding the analysis time. In addition, the sample handling with near-infrared spectroscopy is easier to perform and safer since no chemicals are needed.</p><h4><strong>4. Shimadzu: Quantitative Analysis of Copper Alloys and Differentiation of Sample Types by Matching Function</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00721_en_8e7c9c733b.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=220-1&amp;search=EDXRF"><strong>EDXRF</strong></a> has a smaller footprint than the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=220-1&amp;search=WDXRF"><strong>WDXRF</strong></a>, and does not require cooling water or other auxiliary equipment.</li><li>Analyses can be carried out simply without tedious and time-consuming sample preparation because there are few limitations on the sample shape.</li><li>Sample types can be differentiated by using the matching search function provided as a standard feature</li></ul><p>Copper alloys are copper-based alloys which are produced by adding zinc, lead, tin, or other alloying elements to copper to improve machinability, wear resistance, corrosion resistance, or other properties. By composition, copper alloys are classified as the 1000 seriesto the 7000 series. Energy dispersive X-ray fluorescence spectrometers (EDXRF) are widely used in applications such as receiving inspections of recycled materials, taking advantage of their excellent operability and simple sample handling, but high-accuracy wavelength dispersive X-ray fluorescence spectrometers (WDXRF) are used mainly in metal manufacturing processes. However, as a result of improvement in the quantitative accuracy of EDXRF in recent years, a wider range of applications, such as use in manufacturing processes, is expected in the future. This article introduces an evaluation of the analytical performance of the Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=EDX-7200"><strong>EDX-7200</strong></a> in an analysis of copper alloys, focusing on the following items.</p><ul><li>Quantitative analysis by the calibration curve method (accuracy of calibration curves, lower limit of quantitation, repeatability)</li><li>FP (fundamental parameter) qualitative/quantitative analysis and matching function</li></ul><h5><strong>Conclusion</strong></h5><p>This article has introduced an evaluation of the analytical performance of the EDX-7200, using copper alloys as an example. In the quantitative analysis by the calibration curve method, repeatability was evaluated, showing that results with high reliability can be obtained. The qualitative/quantitative analysis by the FP method also showed that samples can be differentiated easily by using the matching search function of the EDX-7200. Thus, the EDX-7200 offers a combination of merits. In addition to excellent analytical performance and a small installation footprint, there is no need cooling water or other auxiliary equipment, there are few limitations on the sample shape, and highly accurate analysis of samples even in their original shape is possible. Based on these advantages, It is expected that EDX-7200 will be widely used to replace analysis using WDXRF.</p><h4><strong>5. Thermo Fisher Scientific: Reliable and productive analysis of food samples using single quadrupole ICP-MS&nbsp;</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AN_003603_Reliable_and_productive_analysis_of_food_samples_using_single_quadrupole_ICP_MS_c68b045824.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Inductively coupled plasma mass spectrometry (ICP-MS) is the technique of choice for accurately measuring toxic elements, especially for analytical testing laboratories. At the same time, it also allows the analysis of major nutritional elements present in concentrations several orders of magnitude higher. However, sample matrix variability and the large sample load usually found in testing laboratories may lead to challenges like unstable internal standard recoveries outside acceptable ranges, quality control failures and drift, rapid degradation of instrument performance. If left unaddressed, these may cause unexpected downtime and interruptions to the overall laboratory productivity.</p><p>This study describes how the Thermo Scientific™<a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=3&amp;search=+iCAP+MSX"><strong> iCAP™ MSX</strong></a> ICP-MS instrument, equipped with argon gas dilution (AGD), is able to reliably overcome these challenges and enables seamless multielement analysis of different kinds of food samples with simplicity.</p><h5><strong>Conclusion</strong></h5><p>This study demonstrates how the iCAP MSX ICP-MS fulfils the requirements of food testing laboratories and resolves the typical challenges associated with this sample type. Close to 7,000 food samples were measured in this study over eight weeks where daily sequences ran for more than 12 hours with stable data, negligible analytical drift, excellent internal standard response, and without the need for any maintenance actions.</p><ul><li>The use of AGD allowed effective handling of matrix and compositional variability introduced by widely different food samples, commonly analyzed together on the same day in analytical testing laboratories.</li><li>Accuracy and precision were demonstrated using applicable certified reference materials, which were successfully analyzed and quantified with excellent recoveries.</li><li>High concentrations of nutritional elements were accurately measured alongside accurate quantification of low-level toxic elements in the same samples.</li><li>Specially challenging elements like arsenic, typically expected in the range of a few µg·kg-1 or lower in food samples were measured and quantified using He-KED mode. Mathematical correction using half mass signals was further used to reduce the impact of rare earth elements, potentially present in some samples.</li></ul>

News from LabRulezICPMS Library - Week 8, 2025

Coupling of Size Exclusion Chromatography to High Throughput Charge Detection Mass Spectrometry for the Analysis of Large Proteins and Virus-like Particles

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th February 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, Knauer&nbsp; </strong>and <strong>Shimadzu</strong>!</p><h4><strong>1. Agilent Technologies: Analysis of 65 Volatile Organic Compounds in Ambient Air by Canister Sampling Using an Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890%2F5977"><strong>8890/5977</strong></a><strong> GC/MSD</strong></h4><h5><strong>A method using both scan and SIM mode that fully meets the requirements in the HJ 759-2023 standard</strong></h5><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_voc_air_gc_msd_5994_7723en_agilent_4b88e40417.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This application note introduces the use of a canister for gas sampling. Samples were introduced into an Agilent 8890 gas chromatograph (GC) with an Agilent 5977 single quadrupole mass selective detector (MSD) and the Markes Multi-Gas thermal desorption (TD), to analyze volatile organic compounds (VOCs) in the atmosphere or in semiconductor cleanrooms. The results of linearity, reproducibility, and detection limit fully met the requirements of the China method HJ759-2023. This method is widely used as a reference both in environmental laboratories and semiconductor cleanrooms. The linear correlation coefficient for all 65 compounds was greater than 0.991, with 86% of compounds having a value greater than 0.999. The results of reproducibility in scan mode varied between 0.3 to 6.8%, while results in SIM mode varied between 1.1 to 6.7%. The sampling volume was 300 mL, which resulted in detection limits of 0.013 to 0.113 nmol/mol for scan mode and 0.002 to 0.013 nmol/mol for SIM mode.&nbsp;</p><h4><strong>Experimental</strong></h4><p>This study was performed on an 8890 GC coupled to a 5977 single quadrupole GC/MSD with an electron ionization (EI) source. A Markes Multi-Gas thermal desorption sample introduction and preconcentration system was used and included three modules:</p><ul><li>CIA Advantage-xr (CIA): canister autosampler</li><li>Kori-xr: water removal module</li><li>Unity-xr: thermal desorption instrument</li></ul><p>First, three internal standards (ISTDs) were introduced into the Unity trap by CIA. Then, the sample was passed through a heated transfer line through the CIA Advantage<br>into the Kori for water removal. Finally, the sample flowed into the focusing cold trap of the Unity for preconcentration. Eventually, the Unity trap was desorbed at high temperature, and the 65 VOCs and three ISTDs all entered the GC/MSD for analysis. Figure 1 shows the flow path of the combined system.&nbsp;</p><h4><strong>Conclusion</strong></h4><p>An Agilent 8890/5977 GC/MSD system, equipped with a Multi-Gas CIA Advantage-xr TD provides a robust analytical procedure for the analysis of 65 VOCs in ambient air. This system offers a highly efficient and highly sensitive solution for the simultaneous analysis of multiple VOCs in both atmospheric quality monitoring laboratories and semiconductor cleanrooms. Based on different application requirements, users can choose to collect data in scan or SIM mode, demonstrating the flexibility of Agilent instruments. Excellent analytical performance has been achieved based on this system both in scan and SIM mode, which fully meets the requirements detailed in method HJ 759-2023.</p><h4><strong>2. Knauer: GPC vs. SPE and subsequent determination of polycyclic aromatic hydrocarbons using GC/MS</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/VEV_0081_Comparison_of_GPC_and_SPE_purification_methods_of_sludge_samples_FINAL_web_376100390f.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous environmental pollutants generated primarily during the incomplete combustion of organic materials. The removal of PAHs from the atmosphere by dry and wet deposition processes are strongly influenced by their gas/particle partitioning. Atmospheric deposition is a major source for PAHs in soil [1] which can be determined by various extraction and purification processes, subsequently detected by a GC/MS using the reference method UNI EN 15527. Our main purpose is to demonstrate that the purification of environmental matrix with high organic component using the gel permeation chromatography purification (AZURA GPC Cleanup, FS conditioned resins CHEX/DCM), compared to a SPE purification, allows are well-defined separation time of the analytes and it can provide narrow bands without their physical chemical interaction with the column, resulting in less chance of loss of analytes [2]. This differs from other separation techniques which depend upon chemical or physical interactions to separate analytes [3].</p><h4><strong>Conclusion</strong></h4><p>The GPC cleanup procedure of mud sludge samples prior analysis of PAHs with GC/MS technique is a good alternative to SPE purification steps. Advantages like better S/N ratios and third mass identification are obvious. The automatization of the GPC Cleanup using AZURA GPC Cleanup system yields high efficiency of the application.</p><h4><strong>3. Shimadzu: Material Analysis of Microplastics in River Water - FTIR and Pyrolysis-GC-MS Analysis</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00806_en_c2c7bba8be.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Automated pretreatment of microplastics (MPs) reduces workload and enables highly reproducible pretreatment.</li><li>Material analysis of MPs processed by the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=MAP-100"><strong>MAP-100</strong></a> device can be easily performed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=FTIR-ATR"><strong>FTIR+ATR.</strong></a></li><li>Highly reproducible GC-MS analysis of MPs is possible by homogeneously pulverizing samples with Cryogenic Mill (IQ MILL-2070).</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=EGA%2FPY-3030D"><strong>Pyrolysis</strong></a>-<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2020+NX"><strong>GC-MS</strong></a> can measure the weight of multiple types of plastics even when they are mixed.</li></ul><p>Microplastics (MPs) are microscopic plastic particles measuring a few µm to 5 mm in size. They are feared to have an impact on ocean pollution and ecosystems. Against this backdrop, surveys and studies on MPs in surface waters such as oceans, rivers, lakes and marshes are being conducted worldwide. Fourier Transform Infrared Spectrophotometer (FTIR) is often used for material analysis of MPs. ASTM recently published the D8401-24 standard test method for the qualitative and quantitative determination of MPs in water that uses a pyrolysis gas chromatograph mass spectrometer (Py-GC-MS). In this application news, a sample taken from a river was pretreated and analyzed for MPs using FTIR and Py-GC-MS.</p><h4><strong>Conclusion</strong></h4><p>Samples collected from river water were automatically pretreated using MAP-100, and the MPs materials were then analyzed by FTIR and Py-GC-MS. PP, PE and EVA were detected in both instruments, indicating that PP and PE are the main components (Fig. 8). Using an FTIR, individual qualitative results can be obtained easily, and the number ratios and densities can be calculated. Py-GC-MS also provides a more accurate massto material ratio (%). The system supports screening methods that take advantage of the features of each instrument, from preparation to analysis of MPs.</p>

News from LabRulezGCMS Library - Week 9, 2025

<p><strong>In the week from February 24, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong data-start="64" data-end="165">1. Agilent Technologies: Detecting Microplastics in Cannabis: An Analysis Using LDIR Spectroscopy</strong></h5><ul data-start="167" data-end="214"><li data-start="167" data-end="201">Tu, 25.2.2025</li><li data-start="202" data-end="214"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/2772">Registration</a></li></ul><p data-start="216" data-end="280">Detecting Microplastics in Cannabis: An Analysis Using LDIR Spectroscopy.</p><h5><strong data-start="282" data-end="393">2. Separation Science/Biotage: Automated Sample Preparation for Multi-Residue Pesticide Analysis by LC-MS and GC-MS</strong></h5><ul data-start="395" data-end="443"><li data-start="395" data-end="430">We, 26.2.2025</li><li data-start="431" data-end="443"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4724">Registration</a></li></ul><p data-start="445" data-end="600">Learn how Biotage's automated preparation workflow can analyze the entire panel and produce results equivalent to manual preparation.</p><h5><strong data-start="602" data-end="718">3. LECO: Detailed Hydrocarbon Type Analysis of Aviation Fuels: Navigating the Challenges of Evolving Feed Stocks</strong></h5><ul data-start="720" data-end="768"><li data-start="720" data-end="755">We, 26.2.2025</li><li data-start="756" data-end="768"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4687">Registration</a></li></ul><p data-start="770" data-end="979">This webinar will review both historical and contemporary analytical methods used for HTA, with a focus on the evolving challenges associated with achieving accurate identification and quantification with GCxGC</p><h5><strong data-start="602" data-end="718">4. Wiley: Advances in Spectral Identification: SmartSpectra, Classifications, &amp; More!</strong></h5><ul data-start="720" data-end="768"><li data-start="720" data-end="755">We, 26.2.2025</li><li data-start="756" data-end="768"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4789">Registration</a></li></ul><p data-start="770" data-end="979">This webinar covers the latest advances in spectral analysis, including Wiley’s KnowItAll models, SmartSpectra, and functional group analysis tools.</p>

Webinars LabRulezGCMS Week 9/2025

<p><strong>In the week of February 24, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over&nbsp;</p><p><strong>4 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong data-start="125" data-end="232">1. Thermo Fisher Scientific: Frontiers in Structural Biology: Techniques, Discoveries, and Applications</strong></h5><ul data-start="234" data-end="281"><li data-start="234" data-end="268">Tu, 25.2.2025</li><li data-start="269" data-end="281"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4707">Registration</a></li></ul><p data-start="283" data-end="384">The following presentations on structural biology provide insights into recent advancements and methodologies.</p><h5><strong data-start="386" data-end="469">2. Waters Corporation: Advancing Polymer Characterization with Light Scattering</strong></h5><ul data-start="471" data-end="518"><li data-start="471" data-end="505">Tu, 25.2.2025</li><li data-start="506" data-end="518"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4721">Registration</a></li></ul><p data-start="520" data-end="727">How Multi-angle light scattering (MALS) works, its benefits over traditional methods, and explore applications such as polymer degradation, branching analysis, and copolymer characterization.</p><h5><strong>3. C&amp;EN/Repligen: Real-Time, Dilution-Free Concentration Measurement Using Variable Pathlength Spectroscopy for Biopharmaceutical Workflows</strong></h5><ul data-start="865" data-end="912"><li data-start="865" data-end="899">Tu, 25.2.2025</li><li data-start="900" data-end="912"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4725">Registration</a></li></ul><p data-start="914" data-end="1091">The new CTech™ SoloVPE® PLUS, which utilizes variable pathlength technology to enable dilution-free, real-time concentration measurements across a wide range of analytes will be introduced.</p><h5><strong>4. SCIEX: Source secrets and compond tricks</strong></h5><ul><li>Tu, 25.2.2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4786">Registration</a></li></ul><p data-start="914" data-end="1091">Begin the method development journey with the conceptualization of an idea and where to find resources to initiate method building</p><h5><strong>5. C&amp;EN/Phenomenex: Eliminating Matrix Effects in Lipid-rich, Full-Fish Homogenates</strong></h5><ul><li>Tu, 25.2.2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4798">Registration</a></li></ul><div><p>Join this webinar to understand the limitations of the basic pH method in EPA 1633 when analyzing lipid-rich, full-fish homogenates.</p></div><h5><strong data-start="1093" data-end="1204">6. Separation Science/Biotage: Automated Sample Preparation for Multi-Residue Pesticide Analysis by LC-MS and GC-MS</strong></h5><ul data-start="1206" data-end="1254"><li data-start="1206" data-end="1241">We, 26.2.2025</li><li data-start="1242" data-end="1254"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4724">Registration</a></li></ul><p data-start="1256" data-end="1411">Learn how Biotage's automated preparation workflow can analyze the entire panel and produce results equivalent to manual preparation.</p><h5><strong data-start="1413" data-end="1495">7. Bruker: Single-Cell Insights: DeepCyte Innovations with Bruker Technologies</strong></h5><ul data-start="1497" data-end="1545"><li data-start="1497" data-end="1532">We, 26.2.2025</li><li data-start="1533" data-end="1545"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4727">Registration</a></li></ul><p data-start="1547" data-end="1732">DeepCyte introduces two pioneering methods which leverage Bruker mass spectrometry technology, HT SpaceM and 13C-SpaceM, that are set to transform drug discovery and precision medicine.</p><h5><strong data-start="1734" data-end="1804">8. Metrohm: The Benefits of Automatic Hydroxide Eluent Preparation</strong></h5><ul data-start="1806" data-end="1854"><li data-start="1806" data-end="1841">We, 26.2.2025</li><li data-start="1842" data-end="1854"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4719">Registration</a></li></ul><p data-start="1856" data-end="1957">The benefits of automatic preparation of high-purity hydroxide eluents for ion chromatography (IC) applications.</p><h5><strong>9. Wiley: Advances in Spectral Identification: SmartSpectra, Classifications, &amp; More</strong></h5><ul data-start="1806" data-end="1854"><li data-start="1806" data-end="1841">We, 26.2.2025</li><li data-start="1842" data-end="1854"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4789">Registration</a></li></ul><div><p>This webinar covers the latest advances in spectral analysis, including Wiley’s KnowItAll models, SmartSpectra, and functional group analysis tools.</p></div><h5><strong data-start="1959" data-end="2115">10. Waters Corporation: Unlocking the Mysteries of Liquid Chromatography: Systematic Screening Approach for a Fast LC Method Development and Optimization</strong></h5><ul data-start="2117" data-end="2165"><li data-start="2117" data-end="2152">We, 26.2.2025</li><li data-start="2153" data-end="2165"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4755">Registration</a></li></ul><p data-start="2167" data-end="2345">The session will focus on key factors that influence chromatographic selectivity, including column chemistry, organic solvent choice, and mobile phase pH.</p><h5><strong data-start="2347" data-end="2453">11. Separation Science: PFAS Testing Lab Challenges and Solutions: A Conversation with Pace Testing Lab</strong></h5><ul data-start="2455" data-end="2504"><li data-start="2455" data-end="2491">Th, 27.2.2025</li><li data-start="2492" data-end="2504"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4692">Registration</a></li></ul><p data-start="2506" data-end="2629">This video webcast will explore the key challenges and considerations for laboratories conducting environmental water testing in today's rapidly evolving regulatory landscape.</p><h5><strong data-start="2625" data-end="2741">12. Waters Corporation: Uncharted Territory: Innovative Approaches to Novel Benzodiazepine Analysis in Toxicology</strong></h5><ul data-start="2743" data-end="2792"><li data-start="2743" data-end="2779">Th, 27.2.2025</li><li data-start="2780" data-end="2792"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4726">Registration</a></li></ul><p data-start="2794" data-end="2960">Advanced sample extraction procedures for novel benzodiazepines in both urine and post-mortem samples. The latest advancements in analysis of traditional and novel benzodiazepines.</p><h5><strong>13. SelectScience/Axcend: Compact and portable HPLC for real-time pharma &amp; QC analysis</strong></h5><ul data-start="3045" data-end="3094"><li data-start="3045" data-end="3081">Th, 27.2.2025</li><li data-start="3082" data-end="3094"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4790">Registration</a></li></ul><div><p>Join us for an exclusive webinar to discover the latest advancements in compact HPLC technology with Axcend, hearing example use cases from leading pharmaceutical companies.</p></div><h5><strong>14. Technology Networks: Panel Discussion: Mass Spectrometry</strong></h5><ul data-start="3045" data-end="3094"><li data-start="3045" data-end="3081">Th, 27.2.2025</li><li data-start="3082" data-end="3094"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4737">Registration</a></li></ul><div><p>Leading experts will discuss the latest trends, including advancements in ion mobility, high-resolution techniques and novel applications in proteomics, metabolomics and drug discovery.</p></div>

Webinars LabRulezLCMS Week 9/2025

<p><strong>In the week from February 24, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong data-start="2559" data-end="2651">1. C&amp;EN/Repligen: </strong><strong>Real-Time, Dilution-Free Concentration Measurement Using Variable Pathlength Spectroscopy for Biopharmaceutical Workflows</strong></h5><ul data-start="2653" data-end="2689"><li data-start="2653" data-end="2676">Tu, 25.2.2025</li><li data-start="2677" data-end="2689"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4725">Registration</a></li></ul><p data-start="2691" data-end="2792">The new CTech™ SoloVPE® PLUS, which utilizes variable pathlength technology to enable dilution-free, real-time concentration measurements across a wide range of analytes will be introduced.</p><h5><strong data-start="2559" data-end="2651">2. Agilent Technologies: Detecting Microplastics in Cannabis: An Analysis Using LDIR Spectroscopy</strong></h5><ul data-start="2653" data-end="2689"><li data-start="2653" data-end="2676">Tu, 25.2.2025</li><li data-start="2677" data-end="2689"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/2772">Registration</a></li></ul><p data-start="2691" data-end="2792">Detecting Microplastics in Cannabis: An Analysis Using LDIR Spectroscopy.</p><h5><strong data-start="2559" data-end="2651">3. Agilent Technologies: Trace Level Elemental Analysis of Metals in Drinking Water by ICP-MS According to Directive (EU) 2020/2184</strong></h5><ul data-start="2653" data-end="2689"><li data-start="2653" data-end="2676">We, 26.2.2025</li><li data-start="2677" data-end="2689"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4711">Registration</a></li></ul><p data-start="2691" data-end="2792">A complete workflow from sample introduction to the final reporting highlighting exemplary results showing how the mandated LOQs detailed in the EU regulation can be met by modern analytical laboratories.</p><h5><strong data-start="2334" data-end="2423">4. Wiley: Advances in Spectral Identification: SmartSpectra, Classifications, &amp; More!</strong></h5><ul data-start="2425" data-end="2462"><li data-start="2425" data-end="2449">We, 26.2.2025</li><li data-start="2450" data-end="2462"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4789">Registration</a></li></ul><p data-start="2464" data-end="2557">This webinar covers the latest advances in spectral analysis, including Wiley’s KnowItAll models, SmartSpectra, and functional group analysis tools.</p><h5><strong data-start="2118" data-end="2206">5. Bruker: Explore Automated Workflows with the Fourier 80 Benchtop NMR Spectrometer</strong></h5><ul data-start="2208" data-end="2245"><li data-start="2208" data-end="2232">We, 26.2.2025</li><li data-start="2233" data-end="2245"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4680">Registration</a></li></ul><p data-start="2247" data-end="2332">Explore automated workflows with the Fourier 80 benchtop NMR spectrometer.</p><h5><strong data-start="1904" data-end="1995">6. Mettler-Toledo: Live Webinar: Characterization of Thermoplastics by Thermal Analysis</strong></h5><ul data-start="1997" data-end="2035"><li data-start="1997" data-end="2022">Th, 27.2.2025</li><li data-start="2023" data-end="2035"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4553">Registration</a></li></ul><p data-start="2037" data-end="2116">Unlock the secrets of your thermoplastics with essential thermal analysis techniques.</p><h5><strong data-start="1733" data-end="1798">7. Bruker: The New Future of Micro-CT and 3D X-Ray Microscopy</strong></h5><ul data-start="1800" data-end="1838"><li data-start="1800" data-end="1825">Th, 27.2.2025</li><li data-start="1826" data-end="1838"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4718">Registration</a></li></ul><p data-start="1840" data-end="1902">Discover the new, enhanced 3D imaging system.</p><h5><strong data-start="1402" data-end="1499">8. Bruker: Biomechanical Analysis of Tissues, Organoids, and 3D Cellular Structures using AFM</strong></h5><ul data-start="1501" data-end="1539"><li data-start="1501" data-end="1526">Th, 27.2.2025</li><li data-start="1527" data-end="1539"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4771">Registration</a></li></ul><p data-start="1541" data-end="1731">Join us and special guest speaker Dr. Lydia Powell, Swansea University Medical School, for this webinar on the Biomechanical Analysis of Tissues, Organoids, and 3D Cellular Structures using AFM.</p>

Webinars LabRulezICPMS Week 9/2025

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