Imaging of Protein Assemblies up to 231 kDa in Tissues with Nano-DESI Mass Spectrometry

<p><strong>Metalloproteins play essential roles in marine phytoplankton, yet their metalloproteomes remain poorly characterized. This study combines protein modeling, quantitative proteomics, and ICP-MS measurements to assess metal requirements across several phytoplankton species, including chlorophytes, a haptophyte, and a cyanobacterium.</strong></p><p>Results show strong agreement between proteome-inferred metal demands and measured cellular metal quotas, while providing deeper insight into biological functions. Mg-containing proteins were most abundant overall, with Zn, Fe, and Mn as dominant trace cofactors. Distinct differences between prokaryotic and eukaryotic phytoplankton were observed, and strain-level analysis demonstrated how metalloproteomes reflect environmental adaptation and metal limitation strategies.</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.est.5c11233"><strong>Unlocking Phytoplankton Metallomes with Comparative Analysis of Metal Quotas, Quantitative Proteomics, and Inferred Metalloproteomes</strong></a></h4><p>Qiong Zhang*, Jiayou Ge, Fengjie Liu, Shabaz Mohammed, Kedong Yin, and Rosalind E. M. Rickaby</p><p>Environ. Sci. Technol. 2025, 59, 50, 27367–27377</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.est.5c11233">https://doi.org/10.1021/acs.est.5c11233</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><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><p>Many important biological processes of phytoplankton, including photosynthesis, carbon fixation, and nitrogen reduction, rely on enzymes that have metals as cofactors. <a href="javascript:void(0);">(1)</a> It has been estimated that half of all enzymes must be associated with a particular metal to function. <a href="javascript:void(0);">(2)</a> The availability of metals in the environment has changed over geological time and, given imperfections in the selectivity of metal transport systems, proteins have evolved to make the best use of metals that are more available. <a href="javascript:void(0);">(3−5)</a> Depending on their evolutionary histories, different groups of marine phytoplankton may have differences in their metalloprotein compositions and metal transport strategies. The evolving trace metal availability in the environment, thus, may provide a selective pressure to promote the proliferation of different phytoplankton groups in the oceanic environment, affecting the phytoplankton community structure with knock-on effects on the marine food web and carbon sequestration. <a href="javascript:void(0);">(5)</a> It is crucial to understand the utilization of trace metals by different groups of marine phytoplankton that inhabit contrasting niches in the modern ocean, not only by assessing the accumulation of trace metals in cells but also examining the functions of trace metals in different biological pathways.</p><p>In previous studies, the utilization or requirements of trace metals by marine phytoplankton were mostly determined by measuring the elemental stoichiometry in cells (metallome or quota of trace metals). <a href="javascript:void(0);">(6−8)</a> In the field, attempts have also been made to investigate the elements in phytoplankton <a href="javascript:void(0);">(9,10)</a> which have then been compared with profiles in the abiotic environment to understand their relationships. <a href="javascript:void(0);">(11)</a> The discovery of various metal storage proteins and the plasticity in elemental quotas under different environmental conditions raise the question of whether intracellular trace metal quotas reflect true differences in trace metal usage by phytoplankton. <a href="javascript:void(0);">(12,13)</a> In the past few decades, more and more studies have focused on metal–protein partnerships, using approaches such as genome-wide analysis to identify homologues of known metalloproteins and other deduced metal-binding motifs encoded within sequenced genomes. <a href="javascript:void(0);">(5,14)</a> However, this approach has limitations in estimating metal abundance in cells because not all genes predicted in the genome would be translated and expressed as proteins under all environments, and a single gene for a metalloprotein could be highly expressed, such that a translation from genetic presence to a required concentration is not linear and could be environment-dependent. To obtain <i>in situ</i> metal abundance in metalloproteins in cells, native separation of proteins by HPLC or PAGE followed by the detection of metals using ICP-MS <a href="javascript:void(0);">(15,16)</a> has been used. This approach also has limitations in that, without bioinformatics, it cannot identify the function of proteins within which the metals are found, and it may also depend on the composition of the media to which the organism has been exposed and in which it has been growing. An ideal way to solve the problem would be to separate and purify each of the proteins and then identify both the associated metal (<i>e.g.,</i> by ICP-MS) and the protein sequence (<i>e.g.,</i> by mass spectrometry). However, this approach is constrained by the resolution of chromatographic or electrophoretic techniques, making it challenging to establish the metal–protein associations unambiguously; many proteins often co-occur in metal-containing fractions. Additionally, this method requires huge volumes of biomass and is both time-consuming and complex, complicating the reconstruction of the expressed metalloproteome in cells. The techniques and challenges for metalloproteomics have been discussed in detail in previously published review articles (and the references therein). <a href="javascript:void(0);">(17)</a></p><p>In this study, we determined the trace metal utilization (the metallome) of different phytoplankton from their expressed proteome via a protein modeling and homologue identification approach, and then compared the resulting metallome with the metal quota data measured by the traditional inductively coupled plasma mass spectrometry (ICP-MS). This approach allows the building of a link between the truly used trace elements and their biological functions in phytoplankton. We aim to fill the gap between an estimation of metals encoded in the genome and metal analysis by ICP-MS in phytoplankton, which may be more broadly applicable to infer cellular metallomes.</p><h3><strong>Materials and Methods</strong></h3><h4><strong>ICP-MS Analysis</strong></h4><p>All preparation of samples for ICP-MS measurement was undertaken using trace metal clean methods. All plasticware used in this study, including culture flasks, pipette tips, and centrifuge tubes, was precleaned in 10% quartz-distilled HCl and thoroughly rinsed with 18 MΩ cm water in a clean laboratory. Trace elements in the filtered lysates of <i>G. huxleyi</i> (OA1, OA4, OA8, OA15, OA16, OA23, and RCC 1242) and <i>Synechocystis</i> (FACHB898) strains were measured using an ICP-MS. The detailed ICP-MS method and instrumental settings are described in Zhang et al. (2018). <a href="javascript:void(0);">(31)</a></p><h4><strong>Protein Mass Spectrometry</strong></h4><p>The peptides were resuspended in 5% formic acid and 5% DMSO prior to mass spectrometry. They were separated on an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=3&amp;search=Ultimate+3000+UHPLC"><strong>Ultimate 3000 UHPLC </strong></a>system (Thermo Fisher Scientific) and electrosprayed directly into a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/559"><strong>Q-Exactive Mass Spectrometer</strong></a> (Thermo Fisher Scientific) through an EASY-Spray nanoelectrospray ion source (Thermo Fisher Scientific). The peptides were trapped on a C18 PepMap100 precolumn (300 μm i.d. × 5 mm, 100 Å, Thermo Fisher Scientific) using solvent A (0.1% formic acid in water) at a pressure of 500 bar. The peptides were separated on an in-house packed analytical column (75 μm i.d. × 50 cm packed with ReproSil-Pur 120 C18-AQ, 1.9 μm, 120 Å, Dr. Maisch GmbH) using a linear gradient (length: 65 min, 15% to 35% solvent B [0.1% formic acid in acetonitrile], flow rate: 200 nL/min). The raw data were acquired on the mass spectrometer in a data-dependent mode (DDA). Full scan MS spectra were acquired in the Orbitrap (scan range 350–1500 <i>m</i>/<i>z</i>, resolution 70000, AGC target 3e6, maximum injection time 50 ms). After the MS scans, the 10 most intense peaks were selected for HCD fragmentation at 30% of normalized collision energy. HCD spectra were also acquired in the Orbitrap (resolution 17500, AGC target 5e4, maximum injection time 120 ms, isolation window 1.5 <i>m</i>/<i>z</i>) with the first fixed mass at 180 <i>m</i>/<i>z</i>. Charge exclusion was selected for unassigned and 1+ ions. The dynamic exclusion was set to 20 s.</p><h3><strong>Results and Discussion</strong></h3><h4><strong>Trace Elements Determined from the Expressed Proteomes of Different Phytoplankton</strong></h4><p>Based on the expressed proteome sequences, we predicted metal-binding proteins and compared their distribution among various phytoplankton species (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.est.5c11233#fig2">Figure 2</a>). The inference revealed 28 different metals in <i>G. huxleyi</i>, 31 different metals in <i>C. reinhardtii</i>, and 30 different metals in <i>Synechocystis</i>. Although only 6 different metals were identified in <i>O. tauri</i> proteins, it has to be noted that the analysis for <i>O. tauri</i> was only based on the 40 most abundant proteins reported in this organism <a href="javascript:void(0);">(21)</a> and, hence, the listed elements, including Mg, Fe, Mn, Ca, Zn, and Cu, may represent the most essential metals for the species.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Environ_Sci_Technol_2025_59_50_27367_27377_Figure_2_The_number_of_metal_binding_proteins_identified_in_the_expressed_proteome_of_the_haptophyte_G_9b8ac0f004.jpeg" alt="Environ. Sci. Technol. 2025, 59, 50, 27367–27377: Figure 2. The number of metal-binding proteins identified in the expressed proteome of the haptophyte G. huxleyi (a), the chlorophyte C. reinhardtii (b) and O. tauri(c), and the cyanobacteria Synechocystis (d). Pie charts show the percentages of metalloproteins containing specific metals. Original proteome data for G. huxleyi are from Mckew et al. (2013) (24) for C. reinhardtii are from Hsieh et al. (2013) (77) for O.tauriare from Martin et al. (2012) (21) for Synechocystisare from Chen et al. (2018). (22) *Noted that for O. tauri, only the 40 most abundant proteins were included in this analysis. ND: no metal binding was found in the proteins." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Environ_Sci_Technol_2025_59_50_27367_27377_Figure_2_The_number_of_metal_binding_proteins_identified_in_the_expressed_proteome_of_the_haptophyte_G_9b8ac0f004.jpeg 123w," sizes="100vw" width="934" height="1181"></p><p>The number of proteins that bind with different metals varies dramatically in phytoplankton. For metalloproteins, there are variations in the binding affinities of different metals to organic molecules. For example, the affinities of divalent metals to proteins have a tendency to follow a universal order of preference, namely the Irving-Williams series (Mg<sup>2+</sup> and Ca<sup>2+</sup> [weakest binding] &lt; Mn<sup>2+</sup> &lt; Fe<sup>2+</sup> &lt; Co<sup>2+</sup> &lt; Ni<sup>2+</sup> &lt; Cu<sup>2+</sup> &gt; Zn<sup>2+</sup>). <a href="javascript:void(0);">(43)</a> Cells can simultaneously contain proteins having high-affinity-binding metals, such as Cu and Zn, and others that require uncompetitive metals, such as Mg and Ca. One of the least competitive metals for binding with biological chelators, Mg, is even found to be the most widely distributed metal in the metalloproteomes of various phytoplankton species in this study, supporting the observations of high concentrations in the protein fraction of cells (at millimolar concentrations <a href="javascript:void(0);">(31)</a>).</p><p>In all phytoplankton species in our analysis, the Mg-containing proteins are found to have the highest proportion in all metalloproteins identified. About 30% of the metalloproteins in different strains of phytoplankton are found to contain Mg or depend on it for function (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.est.5c11233#fig2">Figure 2</a>), suggesting the important role of Mg in phytoplankton cells. It is generally coordinated in protein complexes by ATP or ADP and has also been found to be largely distributed in the chloroplasts or thylakoids in <i>G. huxleyi</i> and <i>Synechocystis</i>. <a href="javascript:void(0);">(22,24)</a> The essential roles of Mg in plants have been reported in various studies. Mg<sup>2+</sup> is known to be the central atom of the chlorophyll molecule, and its levels in the chloroplast regulate the activity of key photosynthetic enzymes. <a href="javascript:void(0);">(44)</a> It was reported that approximately 15–35% of total Mg is in the chloroplasts of a plant, <a href="javascript:void(0);">(45)</a> and it also serves as an osmotically active ion in the regulation of cells <a href="javascript:void(0);">(46)</a></p><h4><strong>Comparison Between Metallome Measured Directly and Reconstructed from Proteins</strong></h4><p>A large proportion of metals, such as Fe, Mn, and Cu, are found in membrane proteins,and may contribute significantly to total cellular quotas. <a href="javascript:void(0);">(54,55)</a> However, for method development purpose, we endeavored to remove the cell membranes from our samples to focus mostly on the analysis of intracellular metal quotas and metalloproteins in the cytosol fraction in this study. We note that our analysis includes some membrane-bound proteins likely derived from organelles or surface membranes disrupted during sonication.</p><p>The derivation of cellular metal composition, as determined by two different methods, is compared in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.est.5c11233#fig3">Figure 3</a>. The abundance of metal in the proteins is determined as the relative abundance of the protein multiplied by the number of metal ions needed for the specific protein. The abundance of the proteins was normalized to ensure that the total intensities from each replicate measurement for the same species were similar. Since the proteomic data used here were generated from different studies using different instruments, we cannot quantify or compare the absolute biomass of proteins used for each species. Therefore, we cannot compare the absolute trace metal abundance between species solely from metal inferences of expressed proteomes. Nevertheless, we can estimate the relative abundance of different metals in the same species. For the elements that are both measured by the ICP-MS and identified in the proteome, there are generally good correlations (<i>r</i><sup>2</sup> = 0.81 in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.est.5c11233#fig3">Figure 3</a>a and <i>r</i><sup>2</sup> = 0.74 in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.est.5c11233#fig3">Figure 3</a>b) between the two approaches. This indicates that the metal compositions determined from the protein modeling may be reliable and, therefore, can reflect the metal usage in different phytoplankton. This would provide a level of assurance to further investigate the metal binding associated with various proteins, thereby deepening our understanding of the roles that different metals play in phytoplankton.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Environ_Sci_Technol_2025_59_50_27367_27377_Figure_3_Relationship_between_the_abundance_of_metals_determined_by_ICP_MS_analysis_e7b259e376.jpeg" alt="Environ. Sci. Technol. 2025, 59, 50, 27367–27377: Figure 3. Relationship between the abundance of metals determined by ICP-MS analysis (normalized to C, mmol/mol C) and metal abundance determined from the metalloproteome analysis (the unit is arbitrary). To account for strain variations, the ICP-MS data for the cellular metal content of G. huxleyi are average values from 7 G. huxleyi strains isolated from different areas of the ocean, and the proteome-derived metal composition data are average values calculated from 2 of those G. huxleyi strains (OA1 and OA16) isolated previously, and data from Mckew et al., 2013. (24) The ICP-MS data for Synechocystis are from Synechocystis sp. FACHB898 measured in this study, and the proteome data are calculated from Chen et al., 2018. (22) Noted that the abundance of metals from each proteome was calculated by using the metal stoichiometry multiplied by the relative abundance of proteins, which provides only a relative relationship of different trace metals, not absolute abundance. The symbols represent the mean values, and the error bars indicate standard deviations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Environ_Sci_Technol_2025_59_50_27367_27377_Figure_3_Relationship_between_the_abundance_of_metals_determined_by_ICP_MS_analysis_e7b259e376.jpeg 245w," sizes="100vw" width="1384" height="641"></p><p>Compared to the other metals investigated in this study, Ca and Mg appear to have a much higher relative abundance in the ICP-MS analysis than in the proteomic analysis of <i>G. huxleyi</i> and <i>Synechocystis</i> (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.est.5c11233#fig3">Figure 3</a>). These two elements are essential macronutrients for phytoplankton and plants. Ca is the most prominent secondary messenger that plays a crucial role in response to extracellular stimuli in all eukaryotes. Ca<sup>2+</sup> fluxes are transported via Ca channels and transporters, such as Ca-ATPase, regulating a series of important biological functions, including mineral uptake and utilization, K<sup>+</sup> homeostasis adjustment, and regulatory network activity in response to P or N deficiency. <a href="javascript:void(0);">(56)</a> Ca is not always incorporated into protein structures. The Ca abundance determined from the proteins in this study, therefore, is much lower than the actual Ca needed intracellularly. Similarly, the intracellular Mg<sup>2+</sup> and K<sup>+</sup> abundances should also be higher than those determined from the protein structures. Free Mg<sup>2+</sup> and K<sup>+</sup> are known to regulate cation–anion balance and serve as osmotically active ions in the regulation of cells <a href="javascript:void(0);">(46)</a> but free metal ion concentrations cannot be determined through the approach used in this study. Thus, it is not surprising to see much higher relative abundances of Ca and Mg in ICP-MS analysis than in proteomic analysis (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.est.5c11233#fig3">Figure 3</a>).</p>

Unlocking Phytoplankton Metallomes with Comparative Analysis of Metal Quotas, Quantitative Proteomics, and Inferred Metalloproteomes

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 16th February 2026? 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 technical note by <strong>Agilent Technologies, </strong>presentation by<strong> MDCW / C³AL </strong>and<strong> </strong>application notes by<strong> BaySpec </strong>and<strong> Shimadzu!</strong></p><h3><strong>1. Agilent Technologies: Why Do Loss of Resolution and Retention Time Shift Occur After Installing a New GC Column?</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/te_loss_resolution_retention_time_shifts_gc_column_5994_8773en_agilent_e5e79a5f5e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>When a new column is installed on an instrument that has been running an application for a long time, and all the instrument parameters are set to the same values as before, the resolution between a pair of critical analytes can drop unacceptably, creating concern that the column is defective.&nbsp;</p><p>The chromatograms that accompany columns like these will show that the retention times of the poorly resolved peaks on the new column have shifted. This difference indicates a change in linear velocity of the carrier gas, since the run conditions were the same.&nbsp;</p><p>Why did the retention times of those compounds shift under seemingly identical run&nbsp;conditions? The answer is that the run conditions are not identical because the columns are not truly identical. In any manufacturing process, products are built to tolerances. In the case of a GC capillary column, these tolerances include diameter and length. Even small differences in diameter and length will affect the actual velocity and flow rate through a column at a given head pressure.</p><h3><strong>2. BaySpec: Illicit Drug Detection &amp; Identification Using the Continuity™ Field Portable Mass Spectrometer</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Bay_Spec_App_Note_C101_Illicit_Drug_Detection_1_5bd32f3fe9.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The trafficking and abuse of illicit drugs inflict tremendous harm upon individuals, families, and communities throughout the United States and the world. Based on the report of the United Nations Office on Drugs and Crime, nearly 296 million people worldwide used drugs in 2022, with an estimated 64 million suffering from drug use disorders. The opioid epidemic alone has claimed over 160,000 lives in the United States over the past two years, highlighting the urgent need for effective measures to combat this scourge.</p><p>Traditional methods of drug detection, such as laboratory-based analysis, are often time-consuming, costly, and require specialized personnel. These limitations make it challenging to address the rapid and widespread nature of drug trafficking and abuse. Moreover, the constant evolution of synthetic drugs and new psychoactive substances poses a significant challenge for law enforcement and public health officials, as these substances often evade detection using conventional methods.&nbsp;</p><p>In recent years, portable mass spectrometry has emerged as a promising solution for the rapid detection and identification of illicit drugs. Unlike traditional laboratory instruments, portable mass spectrometers offer the advantage of on-site analysis, enabling law enforcement officers and first responders to quickly identify substances in real-time. This technology can be deployed in various settings, including border checkpoints, public events, and field investigations, providing a versatile and efficient tool for combating drug-related crimes. As the opioid crisis and the rise of synthetic drugs continue to pose significant challenges, the integration of portable mass spectrometry into drug detection strategies represents a critical step towards a safer and healthier society.</p><h4><strong>Instrumentation&nbsp;</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2218"><strong>BaySpec Continuity™ Portable Mass Spectrometer</strong></a> was used equipped with a Swab-APCI source, specifically designed for TSA-approved swabs. The samples on swabs were converted into vapors via the Swab vaporizer unit, which then were drawn into the ionization chamber by the built-in sampling pump.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>In this study, we demonstrated the use of the Continuity™ Field Portable Mass Spectrometer equipped with a SwabAPCI ionization source for the detection and identification of various drugs. The capabilities of the instrument were assessed through the creation of calibration curves and surface sampling experiments using ten drug standards and four selected analytes: fentanyl, cocaine, methamphetamine, and MDMA. By serial diluting these standards in methanol, we established calibration curves and determined the instrument’s Limits of Detection (LODs) in MS2 mode. These experiments highlighted the instrument’s ability to detect trace amounts of drugs with high sensitivity and specificity.&nbsp;</p><p>The performance of the Continuity™ field portable mass spectrometer in both controlled and real-world scenarios underscores its potential as a rapid, on-site analytical tool. The results obtained from triplicate measurements reinforce the reliability of this method, making it a valuable asset for law enforcement and public health agencies in their efforts to combat drug-related issues. This study confirms that the portable MS system can quickly and effectively identify illicit substances, offering a practical solution for field investigations and real-time decision-making. As the landscape of illicit drug use continues to evolve, such advancements in portable analytical technology will be crucial in providing timely and accurate information for intervention and prevention strategies.</p><h3><strong>3. MDCW / C³AL: COUNTING DOUBLE BONDS: GC×GC–FID FOR PLASTIC PYROLYSIS OILS</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_26_Petr_Vozka_04ef50f601.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The presentation focuses on the analytical challenge of accurately quantifying olefins (double bonds) in plastic pyrolysis oils and alternative fuels derived from plastic waste. As chemical recycling processes such as pyrolysis and hydrothermal processing gain importance, detailed compositional analysis becomes essential. Pyrolysis oils are highly complex mixtures containing paraffins, iso-paraffins, olefins, cycloalkanes, aromatics, and multi-ring structures. Because olefin content strongly affects fuel stability and upgrading requirements, reliable quantification is critical.</p><p>Traditional bulk methods such as bromine number, bromine index, iodine value, FTIR, Raman, and NMR provide only total unsaturation and often suffer from interferences or limited selectivity. To achieve detailed group-type and compound-level analysis, the authors apply comprehensive two-dimensional gas chromatography with flame ionization detection (GC×GC–FID). This technique delivers high resolution, reduces co-elution, and enables classification of linear, branched, cyclic, and aromatic olefins across wide boiling ranges.</p><p>To further improve quantitative accuracy, a selective adsorption approach using silver-modified silica (Ag–SiO₂) solid-phase extraction is introduced. Olefins are selectively retained, and comparison of GC×GC–FID chromatograms before and after adsorption allows precise determination of olefin content. This method is shown to be cost-effective and reliable for samples containing more than 5 wt% olefins.</p><p>Additionally, the presentation explores chemical derivatization of olefins using dimethyl disulfide (DMDS) and other disulfides to improve structural identification and quantification. While effective for lighter gasoline-range samples, challenges remain for heavier fuels such as jet and diesel fractions. Ongoing work focuses on testing heavier disulfides, optimizing reaction conditions, and validating results using ¹H NMR spectroscopy and future TOFMS analysis.</p><h3><strong>4. Shimadzu: Analysis of Polycyclic Aromatic Hydrocarbons (PAHs) in Tattoo Inks Using GC-MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_09_ssk_023_en_ff47795f55.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>&nbsp;GCMS-QP2020 NX supports effective analysis of PAHs in Tattoo inks.</li><li>It provides an MFDS-based GC-MS method for PAHs in tattoo inks, enabling compliance with Korean regulations.</li></ul><p>Tattoo inks have been utilized for diverse purposes throughout history, serving as cultural identifiers and means of personal expression. In contemporary society, tattooing extends beyond aesthetics and self-expression to include medical applications such as camouflage of scars and post-operative rehabilitation. Because these inks are injected directly into the dermal layer, rigorous safety and hygienic control are essential to ensure human health protection.&nbsp;</p><p>Among the regulated constituents in tattoo inks, polycyclic aromatic hydrocarbons (PAHs) are of particular concern. PAHs comprise over a hundred structurally related compounds, commonly generated through incomplete combustion processes, vehicle exhaust, and tobacco smoke. Several PAHs have been classified as carcinogenic, and chronic exposure may lead to bioaccumulation and subsequent adverse health effects.&nbsp;</p><p>In January 2022, the European Union implemented stringent restrictions through updated REACH regulations, limiting the presence of approximately 4,000 hazardous substances in tattoo and permanent make-up inks, including PAHs. 1) These regulations prohibit the use of carcinogenic, mutagenic, and sensitizing substances previously detected in such products. Since the enforcement date, only compliant inks are permitted for distribution and use within the EU.&nbsp;</p><p>In South Korea, tattoo inks were regulated as consumer chemical products under the Ministry of Environment until June 2025. Due to increasing safety concerns, they have since been reclassified as sanitary products under the authority of the Ministry of Food and Drug Safety (MFDS), resulting in the implementation of more stringent safety requirements. 2)&nbsp;</p><p>This application news introduces the analytical methodology for quantification of PAHs in tattoo inks based on the MFDS regulatory standards (Notice 2025-36). Samples were prepared in accordance with the prescribed protocol, and PAH concentrations were determined using gas chromatography– mass spectrometry (GC-MS) in selected ion monitoring (SIM) mode.</p><h4><strong>Analytical Conditions&nbsp;</strong></h4><p>For the determination of PAHs in tattoo inks, a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX"><strong>GCMS-QP2020 NX</strong></a> system was employed, as shown in Figure 1. The instrumental parameters and selected ion monitoring (SIM) conditions used for PAH analysis are summarized in Table 1.</p><h4><strong>Conclusions</strong></h4><p>Quantitative analysis of PAHs in tattoo inks was performed using the GCMS-QP2020 NX. Sample preparation followed the procedure outlined in the MFDS ‘Standards and Specifications for Sanitary Products.’ All eight PAH analytes showed excellent linearity, with correlation coefficients (R²) exceeding 0.999. Recovery tests showed values between 81.6% and 115.1%, with relative standard deviations (%RSD) ranging from 0.11% to 3.13%, demonstrating good accuracy and precision. These results confirm that the GCMS-QP2020 NX is a suitable instrument for PAH analysis in tattoo inks.</p>

News from LabRulezGCMS Library - Week 08, 2026

News from LabRulezLCMS Library - Week 08, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 16th February 2026? 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 application notes by <strong>Agilent Technologies</strong>, <strong>Metrohm,</strong> <strong>Shimadzu </strong>and<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Quality Assessment of Saffron by UV‑Vis Spectroscopy in Accordance with ISO 3632</strong></h3><p><strong>Integrated quantitative analysis using an </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+3500+UV-Vis"><strong>Agilent Cary 3500 UV-Vis</strong></a><strong> and </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+UV+Workstation"><strong>Cary UV Workstation</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_saffron_uv_vis_cary_5994_8611en_agilent_92d74b2cbd.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Saffron is the world's most expensive spice, with its price per gram dependent on quality, origin, and purity. It is renowned for its vibrant color and distinctive flavor—attributes that contribute significantly to its culinary appeal. However, saffron's high market value and limited production make it vulnerable to adulteration, quality degradation, and mislabeling, all of which pose a risk to consumer health, safety, and trust.&nbsp;</p><p>Ultraviolet-Visible (UV-Vis) spectroscopy is a rapid, reliable analytical technique suitable for assessing spice quality by quantifying bioactive molecular markers. In saffron, crocin is the carotenoid compound responsible for color intensity, picrocrocin is the primary bittering agent, and safranal is the key contributor to aroma.&nbsp;</p><p>In this application note, we used an Agilent Cary 3500 UV-Vis spectrophotometer and Agilent Cary UV Workstation software to analyze a commercial saffron sample. The aim of the study was to grade the quality of the sample in accordance with ISO 3632-1:2025 and ISO 3632-2:2010 Spices — Saffron (Crocus&nbsp;sativus L.).<sup>1,2</sup> These well-established industry standards provide specifications and test methods for the analysis of dried saffron, including filaments, cut filaments, and powder. The standardized test methods outlined in ISO&nbsp;3632-2 support the classification and quality evaluation of saffron. The methods relate to the determination of moisture and volatile matter content (clause 7), crushing and sieving of samples for tests (clause 10), and the determination of the main characteristics using a UV-Vis spectrometric method (clause 14). Based on these evaluations and the quality criteria defined in ISO 3632-1:2025, saffron samples can be categorized into four commercial grades: Extra Class (EC), I, II, and III, with EC indicating the highest quality. &nbsp;</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><p>The blank cuvette and aqueous extract of sample cuvette were loaded in the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+3500+UV-Vis"><strong>Agilent Cary 3500 Multicell UV-Vis</strong></a> (Figure&nbsp;1), which was operated using the parameters listed in Table 1. The instrument is powered by a xenon flash lamp that requires no warmup time and enables a full spectrum scan to be collected in under a second. The lamp includes a 10-year replacement warranty, minimizing the frequency and cost of replacement. The Cary 3500's modular design approach enables the spectrophotometer series to be configured towards varying sampling flexibility and scalability needs. For single sample applications and laboratories with reduced bench-space, the Cary 3500 Compact UV-Vis allows a user to measure a single sample and reference in ambient or temperature-controlled configuration. This application can also be conducted on the Cary 3500 Flexible UV-Vis, which has a larger-sized compartment for liquid and solid sample measurements, and for use with accessories.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The Agilent Cary 3500 Multicell UV-Vis spectrophotometer combined with <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+UV+Workstation"><strong>Agilent Cary UV Workstation software</strong></a> provided precise quantification of color, taste, and aroma through the measurement of crocin, picrocrocin, and safranal compounds, respectively. The method supports the quality assessment of saffron in accordance with the ISO 3632 industry standard, enabling reliable grading of commercial samples while also flagging potential cases of adulteration, degradation, or mislabeling.&nbsp;</p><p>The Cary 3500 UV-Vis uses a reliable, long-lasting xenon flash lamp that requires no warmup time, allowing immediate operation and acquisition of full spectral scans for blank and saffron samples in under a second. These capabilities support high-throughput analysis of spices through the precise measurement of compound-specific absorbance&nbsp;peaks.&nbsp;</p><p>Using built-in spectral tools, automated calculations, and clear reporting features, the Cary UV Workstation significantly simplified the sampling-to-reporting workflow for saffron analysis. Customized calculations defined in ISO 3632 accelerate data processing and reduce calculation errors. The software also delivers results via a user-friendly interface, ideal for traceability.&nbsp;</p><p>Together, the Cary 3500 UV-Vis and Cary UV Workstation delivered significant time-savings by minimizing time spent analyzing data and allowing more time for quality assurance of samples. The Cary 3500 system provides an efficient solution for the determination of the main characteristics saffron in accordance with clause 14 of ISO 3632-2:2010.</p><h3><strong>2. Metrohm: Feed analysis with near-infrared spectroscopy (NIRS)</strong></h3><p><strong>Simple, fast multiparameter determination of animal feed</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_127_download_b6b6969944.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Livestock production is a complex process involving many independent and integrated operations. According to the World Health Organization (WHO), the foundations for successful livestock production are the availability of animal feed and efficient feeding. Quality control (QC) of feed and feed ingredients is crucial to ensure the production of safe and nutrient-rich animal feed. Typical QC parameters measured during the production of feed are fat, moisture, protein, fiber, ash, and starch. However, analyzing these parameters is usually done with wet chemistry, requiring different time-consuming procedures, complex analysis methods, and costly chemical reagents. Near-infrared spectroscopy (NIRS) offers rapid and reliable prediction of fat, moisture, protein, fiber, ash, and starch content of different feed types in a few seconds without any sample preparation.</p><h4><strong>EXPERIMENTAL EQUIPMENT</strong></h4><p>Around 500 samples of feed (e.g., for poultry, swine, cattle, goats, and sheep) were analyzed on a <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=56&amp;search=OMNIS+NIR"><strong>Metrohm NIR Analyzer</strong></a>. All measurements were performed in reflection mode using the large cup. The samples were measured in rotation to collect spectral data from several areas. Spectral averaging of signals from various spots helped to reduce influences from sample inhomogeneity. Metrohm software was used for all data acquisition and prediction model development.</p><h4><strong>CONCLUSION</strong></h4><p>This Application Note demonstrates the feasibility to determine multiple key quality parameters of feed with NIRS analysis. Several analytical methods are usually required to measure starch, ash, fiber, protein, moisture, and fat in animal feed (Table 4). NIR feed analysis offers an easier alternative with high accuracy and real-time results.</p><h3><strong>3. Shimadzu: Online TOC Measurement for Ultra-pure Water in Semiconductor Industries</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01068_en_169a321574.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User Benefits</strong></h4><ul><li>Enables stable measurement of ultra-pure water with TOC concentrations below 1 μg/L.</li><li>The large color touch panel and compact body make operation easy.</li><li>The Active-Path structure, which integrates the lamp and sample flow path, enables high oxidation performance.</li></ul><p>The semiconductor manufacturing process involves various stages such as wafer production, film formation, photolithography, etching, and resist stripping, each of which involves cleaning steps. Even minimal contamination on the semiconductor surface can impact product quality and yield, making it crucial to effectively remove dirt and impurities during cleaning. For this reason, the purity of the cleaning water used in these cleaning processesis extremely important. The recent trend towards ever-smaller, higher-capacity semiconductors means that ultra-pure cleaning water, thoroughly free of organic and other impurities, has become essential.</p><p>Typically, ultra-pure water is produced by first purifying tap or groundwater to produce pure water, and then further refining it into ultra-pure water. Impurities in water include organic and inorganic substances, particles, as well as microorganisms. Various methods, such as activated carbon filters, reverse osmosis (RO) membranes, ultraviolet lamps, and ion exchange resins, are used in combination to purify water into ultra-pure water.&nbsp;</p><p>Maintaining the quality of ultra-pure water used for semiconductor cleaning is critical. The online TOC analyzer for ultra-pure water, TOC-1000e S (Fig. 1), enables highly sensitive TOC measurement with a detection limit of 0.02 μg/L using UV oxidation and conductivity measurement methods. This application presents the features and functions of the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=TOC1000e+S"><strong>TOC1000e S</strong></a>, along with examples of online measurements of ultrapure water.</p><h4><strong>Features of </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=TOC1000e+S"><strong>TOC-1000e S&nbsp;</strong></a></h4><p>The TOC-1000e S is an ultra-compact device that can be installed on a tabletop, wall, or pole mount. The front panel features a large color touch panel that is highly visible even in dark environments, enabling easy operation. An excimer lamp (mercury-free) that emits high-energy ultraviolet light with a wavelength of 172 nm is used as the light source for the oxidation section. To ensure the oxidation of organic compounds, TOC-1000e S uses a unique structure called Active-Path, which integrates the excimer lamp and the sample flow channel. In a typical ultraviolet irradiation section, an air gap between the lamp and the sample flow channel results in inefficient ultraviolet light transmission and the generation of ozone within the device. However, in Active-Path, a sample flow path within the light-emitting part enables efficient irradiation of the sample with ultraviolet light while preventing ozone generation (Fig. 2).</p><h4><strong>Conclusion&nbsp;</strong></h4><p>TOC-1000e S enables the monitoring of TOC of ultra-pure water used in semiconductor manufacturing. The compact body and user-friendly interface assist usersin their routine operations.</p><h3><strong>4. Thermo Fisher Scientific: Analyzing SiC/Co materials for radar absorption and EMI shielding using ARL X’TRA Companion XRD</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sicco_materials_an41524_en_8ad5cc0d6f.pdf"><strong>Full PDF for download</strong></a></li></ul><p>SiC–Co composites represent a new class of engineered materials designed to combine dielectric and magnetic loss mechanisms for effective absorption of electromagnetic radiation. By dispersing cobalt or cobalt ferrite phases within a silicon carbide or SiOC matrix, these composites achieve tunable permittivity and permeability, enabling efficient impedance matching across radar and microwave frequencies. For defense and aerospace applications, where low radar cross section and stable electromagnetic shielding are critical, such composites are attractive because they also retain thermal and mechanical stability beyond the capabilities of polymer-based absorbers.&nbsp;</p><p>X-ray diffraction (XRD) plays a central role in the development and quality control of these materials. It allows unambiguous identification of SiC polytypes that influence dielectric behavior, while simultaneously detecting cobalt, cobalt oxide, or ferrite phases that govern magnetic response. XRD quantification provides insight into crystalline-to-amorphous ratios, crystallite size, and micro strain directly linked to electromagnetic performance and high-temperature durability. By correlating phase composition with measured S-parameters, researchers can optimize absorber formulations and processing conditions to achieve reliable, broadband EMI shielding.</p><h4><strong>Instrument &amp; software&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=3&amp;search=ARL%E2%84%A2+X%E2%80%99TRA+Companion"><strong>Thermo Scientific™ ARL™ X’TRA Companion X-Ray Diffractometer</strong></a> (c.f. Figure 1) is a simple, easy-to-use benchtop instrument for routine phase analysis as well as more advanced applications. The ARL X’TRA Companion XRD uses a θ/θ goniometer (160 mm radius) in Bragg-Brentano geometry coupled with a 600 W X-ray source (Cu or Co). The radial and axial collimation of the beam is controlled by divergence and Soller slits, while air scattering is reduced by a variable beam knife. An integrated water chiller is available as an option. Thanks to the state-of-the art solid state pixel detector (55x55 μm pitch), the ARL X’TRA Companion XRD provides very fast data collection and comes with single-click Rietveld quantification capabilities and automated result transmission to a LIMS (Laboratory Information Management System) seamless integrated into Thermo Scientific™ SolstiX™ Pronto instrument control software.</p><h4><strong>Your benefits&nbsp;</strong></h4><p>The ARL X’TRA Companion XRD system delivers high-quality data in 10 minutes, enabling phase quantification, reliable identification of SiC polytypes, and advanced interpretation of anisotropic micro strain in Co. With the PONKCS method, the amorphous fraction can be quantified accurately. These structural insights directly link to physical properties such as dielectric–magnetic balance, EMI shielding efficiency, and radar absorption performance, providing a basis for fine-tuning materials to application needs.</p>

News from LabRulezICPMS Library - Week 08, 2026

<p><strong>In the week of February 23, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><div><div><div><div><div><div><h5><strong>1. Technology Networks: Real-Time In-Line Insight for Therapeutic Protein Production</strong></h5><ul><li>Tu, 24.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5796">Registration</a></li></ul><p>Discover how real-time, in-line Raman monitoring improves control and consistency in therapeutic protein manufacturing by delivering actionable insights across downstream operations.</p><h5><strong>2. Agilent Technologies: Microplastics in Wastewater – A Population Based Approach to Identifying Potential Sources</strong></h5><ul><li>Tu, 24.2.2026 21:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/2531">Registration</a></li></ul><p>Using LDIR within a closed wastewater treatment system, this webinar explores how microplastics are quantified at multiple treatment stages to identify potential contamination sources.</p><h5><strong>3. Separation Science: PFAS in Air – A Practical Toolkit for Real-World Applications</strong></h5><ul><li>Th, 26.2.2026 11:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5812">Registration</a></li></ul><p>Discover practical solutions and emerging approaches for monitoring volatile and semi-volatile PFAS in air and materials.</p><h5><strong>4. Waters Corporation: GC-MS/MS Under Atmospheric Pressure – Benefits for Dioxin and Pyrethroid Analysis</strong></h5><ul><li>Th, 26.2.2026 15:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5919">Registration</a></li></ul><p>Learn how environmental labs can adapt to revised EU Water Framework Directive requirements, address pollutants like PFAS and dioxins, and leverage GC-MS/MS innovations.</p><h5><strong>5. LECO: Advanced GC×GC-MS Strategy for Pesticide Analysis in a Highly Complex Chili Pepper Matrix</strong></h5><ul><li>Th, 26.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5760">Registration</a></li></ul><p>Discover how GC×GC-MS enables reliable determination of pesticide residues in complex chili pepper matrices by overcoming severe interferences that limit conventional GC-MS/MS.</p><h5><strong>6. SelectScience: The PFAS Measurement Crisis – A Roundtable Discussion</strong></h5><ul><li>Fr, 27.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5841">Registration</a></li></ul><p>Join this expert roundtable to discuss limitations of targeted PFAS methods, non-targeted analysis strategies, next-generation standards, and closing the PFAS data gap.</p></div></div></div></div></div></div>

Webinars LabRulezGCMS Week 09/2026

<p><strong>In the week of February 23, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. SCIEX: SCIEX OS Software Migration – Connect with the Experts and Ask Your Questions</strong></h5><ul><li>Tu, 24.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5957">Registration</a></li></ul><p>Join this live Q&amp;A to explore migration from Analyst to SCIEX OS, including validation, compliance, upgrade steps, and expert support for a smooth transition.</p><h5><strong>2. Separation Science: Ion Pair HILIC-MS – A Powerful Characterization Method for Biomacromolecule Analysis</strong></h5><ul><li>Tu, 24.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5909">Registration</a></li></ul><p>Discover how ion-pair HILIC-MS provides an effective alternative to RPLC-MS for advanced biomacromolecule characterization.</p><h5><strong>3. SelectScience: Cruise Through Genomics Quantification and QC with Lunatic</strong></h5><ul><li>Tu, 24.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5837">Registration</a></li></ul><p>Learn how Lunatic enables fast, dye-free DNA and RNA quantification for NGS and biobanking, delivering accurate purity and concentration data from 96 samples in under 10 minutes.</p><h5><strong>4. Shimadzu Corporation: Unlock Faster Microbial Identification – A Guide to MicrobialTrack for Shimadzu’s MALDI</strong></h5><ul><li>We, 25.2.2026 08:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5810">Registration</a></li></ul><p>Discover how MicrobialTrack enhances MALDI-TOF MS with genomics-driven algorithms, expanded databases, and streamlined workflows for reliable microbial identification.</p><h5><strong>5. Phenomenex: The Future of PFAS Testing – Regulations, Innovation, and Contamination Mitigation</strong></h5><ul><li>We, 25.2.2026 10:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5797">Registration</a></li></ul><p>Join this roundtable discussion covering regulatory scrutiny, evolving PFAS standards, and practical laboratory solutions.</p><h5><strong>6. Mettler-Toledo: DirectInject-LC Virtual User Forum</strong></h5><ul><li>We, 25.2.2026 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5517">Registration</a></li></ul><p>Discover how DirectInject-LC enables real-time online HPLC analysis for process development, with insights from AstraZeneca, Genentech, and Takeda.</p><h5><strong>7. Agilent Technologies: Dealing With Polar Analytes – What Are the Options?</strong></h5><ul><li>We, 25.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5738">Registration</a></li></ul><p>Explore strategies to separate highly polar analytes using ion-pair RP, polar-modified phases, HILIC, and ligand-exchange chromatography beyond traditional C18.</p><h5><strong>8. Thermo Fisher Scientific: Toward Early Detection of Congenital Disease Using Orbitrap Astral DIA MS/MS</strong></h5><ul><li>Th, 26.2.2026 11:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5933">Registration</a></li></ul><p>Learn how Orbitrap Astral MS in DIA mode enables ultra-sensitive detection of parasite-specific IgG variants for improved early diagnosis of congenital toxoplasmosis.</p><h5><strong>9. Waters Corporation: Impurity Testing – Definitions, Guidelines, Analytical Reference Materials and Technologies</strong></h5><ul><li>Th, 26.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5918">Registration</a></li></ul><p>Explore regulatory expectations for API impurities and how modern LC technologies and Empower™ software optimize and modernize impurity testing workflows.</p><h5><strong>10. Milestone: Sample Preparation Workflow for Organic Pollutants and PFAS in Environmental Samples</strong></h5><ul><li>Th, 26.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5805">Registration</a></li></ul><p>Discover efficient microwave extraction workflows for organic pollutants and PFAS to improve recoveries, reduce blanks, and meet EPA 1633A requirements.</p><h5><strong>11. Thermo Fisher Scientific: 4D Performance Gains for Highly Multiplexed Gut Microbiome Metabolite Quantification</strong></h5><ul><li>Th, 26.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5910">Registration</a></li></ul><p>Learn how advanced LC-MSⁿ workflows accelerate multiplexed targeted quantitation using mzCloud and Stellar MS for broader coverage and higher confidence.</p><h5><strong>12. Waters Corporation: Leveraging SEC-MALS for Regulatory-Aligned Biosimilarity Assessment</strong></h5><ul><li>Th, 26.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5811">Registration</a></li></ul><p>Discover how SEC-MALS supports biosimilar comparability by accurately characterizing molecular weight, aggregation, and key CQAs in line with FDA and ICH Q6B guidance.</p><h5><strong>13. Shimadzu Corporation: Automated LCMS-Solution Ready for 24/7 Operation</strong></h5><ul><li>Th, 26.2.2026 19:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5937">Registration</a></li></ul><p>Learn how Shimadzu’s automated LC-MS/MS solution standardizes sample preparation and supports continuous 24/7 operation in clinical laboratories.</p><h5><strong>14. Agilent Technologies: Getting Peptide Characterization Right – Analytical and Regulatory Foundations for Confident Development</strong></h5><ul><li>Fr, 27.2.2026 11:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5942">Registration</a></li></ul><p>Episode 1 of Peptide 360 explores analytical and regulatory foundations of peptide characterization using integrated LC-MS for compliant GLP-1 development.</p><h5><strong>15. SelectScience: The PFAS Measurement Crisis – A Roundtable Discussion</strong></h5><ul><li>Fr, 27.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5841">Registration</a></li></ul><p>Join this expert roundtable to discuss limitations of targeted PFAS methods, non-targeted analysis approaches, next-generation standards, and closing the PFAS data gap.</p>

Webinars LabRulezLCMS Week 09/2026

<p><strong>In the week from February 23, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Thermo Fisher Scientific: Lunch and Learn Tips and Tricks Series – Qtegra Part 1</strong></h5><ul><li>Tu, 24.2.2026 13:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5795">Registration</a></li></ul><p>Explore practical Qtegra ISDS workflows to boost trace elemental analysis quality and laboratory productivity, and learn how integrated tools help you get more from your instrumentation.</p><h5><strong>2. LECO: Total Sulfur and Carbon Determination in Cement and Raw Materials</strong></h5><ul><li>Tu, 24.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5938">Registration</a></li></ul><p>Join Lloyd Allen for a practical webinar on total sulfur and carbon analysis in cement materials using the LECO SC832, including ASTM C150 compliance and furnace configuration insights.</p><h5><strong>3. Technology Networks: Real-Time In-Line Insight for Therapeutic Protein Production</strong></h5><ul><li>Tu, 24.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5796">Registration</a></li></ul><p>Discover how real-time, in-line Raman monitoring improves control and consistency in therapeutic protein manufacturing by delivering actionable insights across downstream operations.</p><h5><strong>4. SelectScience: Cruise Through Genomics Quantification and QC with Lunatic</strong></h5><ul><li>Tu, 24.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5837">Registration</a></li></ul><p>Learn how Lunatic enables fast, dye-free DNA and RNA quantification for NGS and biobanking, delivering accurate concentration and purity data from 96 samples in under 10 minutes.</p><h5><strong>5. Bruker: Accelerating Soil Health Assessment – High-Throughput Analysis with IR and EPR Spectroscopy</strong></h5><ul><li>Tu, 24.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5758">Registration</a></li></ul><p>Discover how IR and EPR spectroscopy enable rapid, high-throughput soil analysis—from carbon, clay, and pH to free radicals and metals—supporting scalable soil health and contamination monitoring.</p><h5><strong>6. Agilent Technologies: Microplastics in Wastewater – A Population Based Approach to Identifying Potential Sources</strong></h5><ul><li>Tu, 24.2.2026 21:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/2531">Registration</a></li></ul><p>Using LDIR within a closed wastewater treatment system, this webinar explores quantification of microplastics at different stages to identify potential contamination sources.</p><h5><strong>7. Mettler-Toledo: Dynamic Mechanical Analysis (DMA)</strong></h5><ul><li>Th, 26.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5734">Registration</a></li></ul><p>Join this webinar to understand DMA principles, viscoelastic behavior, and practical applications for material testing across industries.</p><h5><strong>8. Bruker: Enhanced Data Capture for 3D Optical Profilers</strong></h5><ul><li>Th, 26.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5911">Registration</a></li></ul><p>Discover Enhanced Data Capture metrology and learn how it delivers richer, more reliable measurements on steep, rough, and complex surfaces, including live demonstrations and real-world applications.</p>

Webinars LabRulezICPMS Week 09/2026

<p><strong>This study evaluates the in vitro antibacterial potential of Pinus nigra and Thymus serpyllum essential oils, individually and in combination, against 12 human pathogens. Antimicrobial activity and synergistic interactions were assessed using microdilution and checkerboard assays, with additional testing alongside ciprofloxacin, amoxicillin, and tetracycline.</strong></p><p>The oil combination showed strong synergy against Enterococcus faecalis and Staphylococcus epidermidis, while P. nigra combined with amoxicillin was synergistic against Streptococcus mitis. Major oil components were characterized by GC/MS and GC/FID, and cytotoxicity testing confirmed no toxicity for synergistic combinations. These findings highlight the potential of essential oil–antibiotic combinations in antibacterial strategies.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c07183"><strong>In Vitro Antibacterial Potential of Pinus nigra-Thymus serpyllum Essential Oil and Antibiotic Combinations</strong></a></h4><p>Sümeyye Elif Kahya*, Ayşe Esra Karadağ, Betül Demirci, and Fatih Demirci*</p><p>ACS Omega 2025, 10, 50, 61528–61534</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c07183">https://doi.org/10.1021/acsomega.5c07183</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><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><div><p><i>Thymus serpyllum</i> L. (Lamiaceae) is commonly known as a ‘wild thyme’, and is originally from Eastern Mediterranean regions, where also a monograph of the dried flowering aerial parts in the European Pharmacopoeia exists as Serpylli herba, which is widely used in Europe. <a href="javascript:void(0);">(1)</a> Carvacrol was reported as the main component in <i>T. serpyllum</i>, with variable amounts of thymol, linalool, linalyl acetate, borneol, 1,8-cineole, germacrene D, <i>p</i>-cymene, γ-terpinene, myrcene, and β-caryophyllene, respectively. The content varies significantly based on the species, genetic variation, developmental stage, origin, and cultivation conditions, so its chemotype diversity occurs. <a href="javascript:void(0);">(2,3)</a> Its preparations are traditionally used for treating colds, rheumatism, sciatica, and its stimulating, disinfectant, and immune-stimulating effects. <a href="javascript:void(0);">(4,5)</a></p><p><i>Pinus nigra</i> JF Arnold (Black pine) is a diverse species which belongs to the Pinaceae family, present throughout the Mediterranean region. <a href="javascript:void(0);">(6)</a> The species is divided into seven subspecies: <i>Pinus nigra</i> subsp. <i>dalmatica</i> (Vis.) Franco, <i>P. nigra</i> subsp. <i>laricio</i> Palib. ex Maire, <i>P. nigra</i> subsp. <i>nigra</i>, <i>P. nigra</i> subsp. <i>pallasiana</i> (Lamb.) Holmboe, <i>P. nigra</i> subsp. <i>salzmannii</i> (Dunal) Franco, <i>P. nigra</i> f. <i>seneriana</i> (Saatçioglu) Kandemir &amp; Mataraci, and <i>P. nigra</i> var. <i>yaltirikiana</i> Alptekin. <a href="javascript:void(0);">(7)</a> Black pine is recognized for its genetic, morphological, phenotypic, and biochemical diversity. The chemical composition of essential oils varies among different origins and subspecies, with the abundance of monoterpenes such as α-pinene, β-pinene, limonene, δ-3-carene, and β-phellandrene among others. <a href="javascript:void(0);">(8,9)</a> Biological activities such as antibacterial, antifungal, and antioxidant are reported within traditional medicine. <a href="javascript:void(0);">(10)</a></p><p>Antimicrobial resistance can be classified as one of the clinical and economical devastating impacts globally. Pathogens such as <i>Staphylococcus aureus</i> and <i>Pseudomonas aeruginosa</i> are frequently listed as priority pathogens by the World Health Organization, because they rank as leading causes for infections acquired in communities along with hospitals worldwide. <a href="javascript:void(0);">(11,12)</a> According to the One Health approach, the spread of resistant strains constitutes a significant threat to human, animal, and environmental health. Consequently, new research for new innovative antimicrobial agents such as essential oils and combinations withdraw attention as a sustainable strategy. <a href="javascript:void(0);">(13)</a></p><p>The combination of conventional antibiotics with EOs enhances their effectiveness, positioning EOs as promising alternatives to synthetic antimicrobial agents for combating resilient infections, where recent studies demonstrated synergistic activity in specific combinations. <a href="javascript:void(0);">(14,15)</a> Synergistic effects have significant advantages, such as the drug combination exerting a more substantial impact than the sum of the drugs’ effect, lower toxicity, and reduced side effects. <a href="javascript:void(0);">(16)</a></p><p>In this present study, to achieve synergistic antimicrobial activity <i>T. serpyllum</i> and <i>P. nigra</i> essential oil combinations were systematically evaluated. The checkerboard method was used to evaluate the binary combinations of the essential oils and their individual combinations with tetracycline, amoxicillin, and ciprofloxacin, respectively. In addition, based on the GC/MS and GC/FID verification results, the combinations of the major components geraniol and α-pinene were evaluated against pathogenic microorganisms. To the best our knowledge, the combination of <i>T. serpyllum</i> and <i>P. nigra</i> essential oils, tetracycline, amoxicillin, ciprofloxacin, major components geraniol and α-pinene, respectively, were evaluated for the first time. Also, the active combinations were further assessed for their potential toxicity using the <i>in vitro</i> MTT assay.</p><h4><strong>2. Result and Discussion</strong></h4><h5><strong>2.1. Phytochemical Analysis</strong></h5><p>The detailed chromatographic analyses represent the relative percentages (%) calculated from FID data which are listed in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c07183#tbl1">Table 1</a>. GC-FID and GC/MS analyses of the commercial essential oils verified 20 and 46 compounds, representing 92% and 97.2% of the essential oils, respectively. The main compounds for <i>P. nigra</i> oil were characterized as α-pinene (73.8%), <i>trans</i>-verbenol (4.4%), α-pinene oxide (2%), camphene (1.7%), limonene (1.7%), verbenone (1.6%), and β-pinene, respectively. The main compounds for <i>T. serpyllum</i> were geraniol (19.3%), <i>p</i>-cymene (12.9%), α-thujone (6.6%), linalool (6.4%), carvacrol (5.7%), geranyl acetate (5.6%), geranyl formate (4.3%), and camphor (3.7%), respectively. <i>T. serpyllum</i> and <i>P. nigra</i> essential oil (see Suppl. For Chromatograms in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c07183/suppl_file/ao5c07183_si_001.pdf">Figure S1 and S2</a>).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_50_61528_61534_Figure_S1_GCMS_Chromatogram_of_P_nigra_essential_oil_6d0e834f08.jpg" alt="ACS Omega 2025, 10, 50, 61528–61534: Figure S1. GC/MS Chromatogram of P. nigra essential oil" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_50_61528_61534_Figure_S1_GCMS_Chromatogram_of_P_nigra_essential_oil_6d0e834f08.jpg 245w," sizes="100vw" width="1178" height="533"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_50_61528_61534_Figure_S2_GCMS_Chromatogram_of_T_serpyllum_essential_oil_625414f30d.jpg" alt="ACS Omega 2025, 10, 50, 61528–61534: Figure S2. GC/MS Chromatogram of T. serpyllum essential oil" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_50_61528_61534_Figure_S2_GCMS_Chromatogram_of_T_serpyllum_essential_oil_625414f30d.jpg 245w," sizes="100vw" width="1179" height="503"></p><p>In a previous study, <i>T. serpyllum</i> essential oil reported 10 different chemotypes, namely: carvacrol, 1,8-cineole/caryophyllene oxide, <i>p</i>-cymene, geraniol, linalool, <i>trans</i>-nerolidol, γ-terpinene, α-terpinol acetate, linalyl acetate, and thymol. <a href="javascript:void(0);">(17−19)</a> Among all, the most common chemotypes of <i>T. serpyllum</i> were suggested as the carvacrol and thymol type. <a href="javascript:void(0);">(3,20)</a> Paaver et al. <a href="javascript:void(0);">(19)</a> observed four chemotypes (<i>trans</i>-nerolidol, caryophyllene oxide, myrcene, and borneol) growing in Estonia. Another study reported that <i>T. serpyllum</i> chemotypes are thymol, caryophyllene oxide, τ-cadinol, β-cubebene, geraniol, geranyl isobutyrate, and 1,8-cineole from Hungary. In this present study, the utilized commercial <i>T. serpyllum</i> essential oil can be classified as geraniol chemotype, in agreement with previous reports in varying concentrations. <a href="javascript:void(0);">(17,21)</a></p><p>The major compound of commercial <i>P. nigra</i> essential oil was reported as α-pinene, according to phytochemical analyses. <a href="javascript:void(0);">(22,23)</a>. Regarding the <i>Pinus</i> essential oils in previous reports; α-pinene (44.98%), β-pinene (14.27%), germacrene D (9.63%), limonene (6.93%), and β-caryophyllene (5.58%), respectively was identified in the <i>P. nigra</i> needle oil. <a href="javascript:void(0);">(22)</a> In another study, the main components of pine essential oil were reported as α-pinene (45.93%), germacrene D (27.50%), (<i>E</i>)-caryophyllene (8.13%), and β-pinene (6.90%). <a href="javascript:void(0);">(23)</a></p><p>When compared with literature data, the chemical compositions and major compounds showed consistency to previous studies.</p><h5><strong>2.4. Toxicity Assay</strong></h5><p><i>In vitro</i> toxicity tests of the combinations with synergic effects were performed on the HEK293 cell line using the MTT method to evaluate selectivity. According to the FIC values, the combinations of <i>P. nigra-T. serpyllum</i> and <i>P. nigra</i>-amoxicillin were selected for the toxicity evaluation of the essential oils and amoxicillin alone. When the concentrations determined based on the FIC values, all combinations showed higher cell viability compared to the individual MIC values. Based on the data obtained from the cell culture toxicity, a reduction was observed in the combination studies.</p><p>According to Nikolić et al. <a href="javascript:void(0);">(21)</a> the wild thyme oil, which contains thymol as its major constituent, showed relatively less <i>in vitro</i> cytotoxic activity against four human tumor cells. Deb et al. <a href="javascript:void(0);">(40)</a> reported the <i>T. serpyllum</i> essential oil with antiproliferative activity against HL-60 cells (promyelocytic leukemia).</p><p>In this present study, designed combinations of commercial essential oils were systematically inhibited the pathogenic microorganism. The utilization of the particular commercially available essential oils, and their combinations with other components for preventing microbial resistance may be applicable.</p><h4><strong>3. Conclusion</strong></h4><p>Essential oils with known quality exert new biological and pharmacological activities that carry a utilization potential other than aromatherapy applications. Antimicrobial activity studies using essential oils and their major constituents targeting resistant bacteria may lead to the discovery of new drug leads with potential treatment of various microbial diseases. <i>P. nigra</i> and <i>T. serpyllum</i> oil combinations may have future potential as antimicrobial natural agents. The oil and antibiotic combinations offers a variation enabling relatively higher activity at lower concentrations. Also, combinations of major or minor constituents may not always responsible for synergistic activities, which should be evaluated carefully in depth. The effective combinations may form a basis for future research on upper respiratory tract infections as well as other microbial diseases.</p><p>However, more detailed studies, including <i>in vivo</i> experiments should be conducted. In addition further research must be performed to explore the use of combinations for the cosmetics and food industries with appropriate design.</p><h4><strong>4. Material and Methods</strong></h4><h5><strong>4.2. GC/FID and GC/MS Analysis</strong></h5><p>The GC-MS analysis was carried out with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5975"><strong>Agilent 5975 GC-MSD system</strong></a>. Innowax FSC column (60 m x 0.25 mm, 0.25 μm film thickness) was used with helium as carrier gas (0.8 mL/min). GC oven temperature was kept at 60 °C for 10 min and programmed to 220 °C at a rate of 4 °C/min, and kept constant at 220 °C for 10 min and then programmed to 240 °C at a rate of 1 °C/min. Split ratio was adjusted at 40:1. The injector temperature was set at 250 °C. Mass spectra were recorded at 70 eV. Mass range was from <i>m</i>/<i>z</i> 35 to 450.</p><p>FID detector temperature was set to 300 °C. To obtain the same elution order with GC-MS, simultaneous autoinjection was applied on a duplicate of the same column applying the same operational conditions. Relative percentage (%) of the separated compounds were calculated from the FID chromatograms.</p><p>Identification of the essential oil components were carried out by comparison of their relative retention times (RRT) with those of authentic samples or by comparison of their relative retention index (RRI) to series of <i>n</i>-alkanes. Computer matching against commercial (Wiley GC/MS Library, MassFinder Software 4.0) and in-house “Başer Library of Essential Oil Constituents” built up by genuine compounds and components of known oils were performed. <a href="javascript:void(0);">(41)</a></p></div>

In Vitro Antibacterial Potential of Pinus nigra-Thymus serpyllum Essential Oil and Antibiotic Combinations

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