In the week from October 20, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry<blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a></h4>👉 Search and filter in the largest global database with over 5 000 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Metrohm: Time is Money – How Digitalized Workflows Enhance Laboratory Efficiency</h5><ul><li>Tu, 21.10.2025 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5624">Registration</a></li></ul>Learn how seamless integration of devices and software through 1LIMS and Metrohm saves time, increases efficiency, and transforms your lab into a connected digital ecosystem.<h5>2. The Analytical Scientist: State-of-the-Art Sample Preparation – Innovation to Sustainability</h5><ul><li>Tu, 21.10.2025 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5571">Registration</a></li></ul>Join a roundtable discussion on innovative and sustainable sample preparation tools, focusing on greener workflows and analytical efficiency.<h5>3. Agilent Technologies: Intelligent Analysis of Wastewaters Using an Agilent ICP-MS with Integrated Autodilutor</h5><ul><li>Tu, 21.10.2025 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4542">Registration</a></li></ul>Discover how integrated autodilution in Agilent ICP-MS simplifies wastewater analysis, boosts accuracy, and minimizes manual handling.<h5>4. Bruker: Optical Tweezers – Advanced Applications in Biology and Materials Science</h5><ul><li>We, 22.10.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5596">Registration</a></li></ul>Explore nanoscale manipulation with Bruker’s NanoTracker 2 optical tweezers and learn their applications in biological and material sciences.<h5>5. Thermo Fisher Scientific: Simple, Fast and Robust Analysis of Whole Blood, Serum and Urine Using ICP-MS</h5><ul><li>Th, 23.10.2025 13:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4702">Registration</a></li></ul>Join a virtual demo of the Thermo Scientific iCAP MX Series ICP to see simplified workflows for elemental analysis in biological samples.<h5>6. Evosep Biosystems: Deep Visual Proteomics</h5><ul><li>Th, 23.10.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5573">Registration</a></li></ul>See how imaging and LC-MS technologies merge to map protein expression patterns with unmatched precision and biological depth.<h5>7. SPECTRO Analytical Instruments: iCAL 2.0 – Smart Standardization for Efficient and Reliable Metal Analysis</h5><ul><li>Th, 23.10.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5572">Registration</a></li></ul>Learn how patented iCAL 2.0 diagnostics revolutionizes standardization, ensuring consistent and efficient elemental metal analysis.<h5>8. Agilent Technologies: A Discussion on Sample Preparation of Water Samples for Analysis of Microplastics</h5><ul><li>Th, 23.10.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/2365">Registration</a></li></ul>Discover Agilent’s turnkey approach for microplastics analysis using the 8700 LDIR, covering sample prep, identification, and data interpretation.<h5>9. Anton Paar: From MPDS 5 to Edge &amp; L-Cor Mass Flow Sensor</h5><ul><li>Fr, 24.10.2025 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5597">Registration</a></li></ul>Experience the new Edge Evaluation Unit and L-Cor sensor innovations from Anton Paar designed to enhance process control, precision, and efficiency.

Webinars LabRulezICPMS Week 43/2025

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 20th October 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.</blockquote>This week we bring you application notes Agilent Technologies and Shimadzu and poster by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Optimizing Microplastic Characterization by LDIR: Automated versus Manual Workflows</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/te_microplastic_analysis_manual_8700_ldir_5994_8677en_agilent_e6976c74fd.pdf">Full PDF for download</a></li></ul>The Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=8700+LDIR">8700 LDIR</a> chemical imaging system with Agilent Clarity control software provides automated and manual workflows for the characterization of microplastics isolated from a wide range of matrices.&nbsp;The Particle Analysis workflow is specially designed for routine testing, enabling fast, fully automated characterization of particles within a default size range of 20 to 500&nbsp;µm. This range can be adjusted based on user methodology and analytical requirements. Once a region of interest has been defined on the substrate and a spectral library has been selected in the software, the 8700 LDIR automatically detects particles, acquires infrared (IR) spectra, matches the spectra against the library, and updates results in real time.&nbsp;The manual analysis workflow allows users to adjust parameters, acquire spectra, and collect high-magnification images of particles as small as a few micrometers, providing greater flexibility for method development and research applications.&nbsp;This technical overview evaluates the performance of both types of workflow using NIST-traceable polystyrene (PS) latex beads of 2, 5, and 10&nbsp;µm diameter. Measurements were performed on both low-E slides and aluminum-coated (AI-coated) filters (0.8&nbsp;µm pore size) to assess the influence of the substrate background on the minimum measurable particle size.<h4>Results and discussion&nbsp;</h4><h5>Manual workflow&nbsp;</h5><ul><li>2&nbsp;µm PS beads: High-magnification visible images were obtained for the 2&nbsp;µm PS beads on the low-E slide by focusing on individual particles and using the ruler feature in the Clarity software to measure the length (Table 2). IR images were generated at 1,442&nbsp;cm–1 with a pixel size resolution of 1&nbsp;µm, resolving the 2&nbsp;µm beads. Using the line profile feature and a reduced acquisition (sweep) speed, 20 spectra were acquired. The averaged spectrum (automatically obtained after data collection) was compared to reference spectra in the Microplastics Starter 2.1 library. The particle was correctly identified as polystyrene with a hit quality index (HQI) of 0.940. The 2&nbsp;µm particles were successfully detected and identified on low-E slides only. Background interference from the 0.8&nbsp;µm pores of the Al-coated filters prevented data collection from the 2&nbsp;µm particles.&nbsp;</li><li>5&nbsp;µm PS beads: High-magnification visible and IR images were successfully obtained for the 5&nbsp;µm PS beads on both types of substrate. The spectra were collected in line profile mode using a faster data acquisition rate than for the smaller particles. The beads were accurately identified as PS with HQIs of 0.924 and 0.947 for the low-E slide and Al-filter, respectively (Table 2).&nbsp;</li><li>10&nbsp;µm PS beads: The 10&nbsp;µm PS beads were easily imaged and identified on both substrates with improved HQIs of 0.972 for the low-E slide and 0.968 for the Al-coated filter (Table 2).</li></ul><h4>Conclusion&nbsp;</h4>The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=8700+LDIR">Agilent 8700 LDIR</a> chemical imaging system is capable of analyzing microplastics as small as 2&nbsp;µm on a low-E slide using a manual workflow and 5&nbsp;µm and above using the automated Particle Analysis method. However, the automated workflow provided the most reliable identification and highest-confidence library matching results for particles ≥&nbsp;10&nbsp;µm. Together, the two workflows offer complementary capabilities—automation for the rapid, routine analysis of larger particles and manual control for smaller particle characterization and research applications.<h3>2. Shimadzu: Quantitative Analysis of Leaching of Heavy Metals in Soil Using ICP-MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00892_en_5aeef239fe.pdf">Full PDF for download</a></li></ul>When soil is polluted by human activities such as industrial operations and waste disposal, harmful substances can be absorbed into the human body. This may have an adverse effect on health. In Japan, the Soil Contamination Countermeasures Act stipulates soil survey methods and appropriate management methodsto prevent adverse health effects.&nbsp;The health risks due to soil contamination can be divided into two categories: those caused by leaching of harmful substances contained in soil into groundwater and ingestion of groundwater containing such harmful substances (ingestion from groundwater), and those caused by direct ingestion of harmful substances contained in soil through the mouth or skin (direct ingestion). Under the Soil Contamination Countermeasures Act, soil leaching standards are set to address the risk of ingestion from groundwater, and soil content standards are set to address the risk of direct ingestion. These standards are expected to become stricter in the future in line with other environmental regulations. Thus, it is important to select a highly sensitive analytical method in advance.&nbsp;In this application, the results of analyzing the concentrations of heavy metals leached from five types of soil samples using ICPMS, which is currently recognized as the most sensitive method for elemental analysis in soil, will be introduced.<h4>Instrument Configurations and Analysis Conditions</h4><ul><li>Instrument: <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=ICPMS-2050">ICPMS-2050&nbsp;</a></li><li>Nebulizer: Nebulizer DC04</li></ul><h4>Conclusion&nbsp;</h4>Leaching analysis of heavy metals in soil was conducted using the ICPMS-2050. The measurement sensitivity of the system was sufficient to meet the soil leaching standard, and the spike recovery test showed that the influence of the matrix on this measurement was small. By adopting a unique mini-torch system, ICPMS-2050 can perform high-sensitivity and low-interference measurements at about 2/3 (about 11 L/min) of the argon gas flow rate of conventional ICP-MS. In addition, good results in a long-term stability test, where 50 samples were measured continuously, demonstrated its performance (high sensitivity, low interference) and cost savings, especially in the routine analysis of multiple samples.<h3>3. Thermo Fisher Scientific: Hyphenation of a high-speed laser ablation system to Quadrupole Inductively Coupled Plasma Mass Spectrometry (ICP-MS) for imaging applications</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_001853_tea_laser_ablation_icp_ms_ewcps_po001853_em_en_2f84e2e8ea.pdf">Full PDF for download</a></li></ul>Laser Ablation (LA) coupled with ICP-MS is a well-established way to directly analyze solid samples. The main advantages of laser ablation include the ability to avoid lengthy and potentially contamination prone sample preparation protocols and the ability to obtain information about the spatial resolution of an analyte in a sample.&nbsp;The interest in so-called mapping techniques has increased in recent years, calling for laser ablation systems to develop methods to improve sample transfer and therefore speed of mapping experiments. New laser-ablation systems dedicated to high-speed mapping are commercially available and can be easily coupled to quadrupole ICP-MS for such applications.With the improvement in sample transfer and washout times from laser ablation systems, the time available to analyze discrete packets of sample from a laser pulse is drastically reduced. The limit for lateral resolution using a sequential ICP-MS, such as a quadrupole ICP-MS, is dependent on the dwell times chosen for each measured m/z channel. This has a direct impact on the signal-to-background ratio achievable for each m/z channel; therefore, a direct impact on the final image contrast for each mapped m/z channel.<h4>Methods</h4>An Elemental Scientific Lasers imageGEO193 Laser Ablation system fitted with a TwoVol3 Ablation chamber was directly coupled with a <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1206">Thermo Scientific™ iCAP™ TQ ICP-MS</a> using a compatible Dual Concentric Injector. Data was acquired using <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489">Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution™ (ISDS) Software</a> and processed using Iolite™ Laser Ablation Data Reduction Software.<h4>Results and Discussions&nbsp;</h4><h5>Washout Measurement and Optimization&nbsp;</h5>For low-dispersion laser ablation set-ups, it is vitally important to assess the washout performance and peak shape of the laser pulses to determine the maximum scanning rate that can be used for a particular number of m/z channels without introducing blurring effects. To do this, a low repetition rate line was ablated on the sample surface and a matrix element was measured at 1 ms dwell time (44Ca as 44Ca.16O in this case).Aliasing occurs, in essence, if the repetition rate and the cycle time of the laser ablation system and the ICP-MS system are not properly synchronized. This phenomenon causes periodicity in signal intensities that appear as bands in the final image. To combat this, the laser repetition rate and the sampling cycle frequency need to be matched so that an integer number of laser pulses fall within one quadrupole sweep.1&nbsp;Pixelation blur is mainly a factor of the resolution at which the image is gathered, i.e., the laser spot size and the resulting pixel size. 2 To achieve high resolution (low blur), a small spot size must be used; however, this will directly decrease the signal-tobackground ratio (i.e., contrast) and increase the total experiment time. The amount of acceptable blurring must therefore be balanced with the desired contrast and experiment time.Smearing, or motion blur, occurs when the transfer of material (washout) cannot keep up with the tracking of the laser across the sample surface (i.e., the scanning rate of the translation stages) and subsequent laser pulses are partially mixed. This is mitigated by adjusting the laser scanning time and repetition rates so that each laser pulse is fully resolved from each other when reaching the detector of the ICP-MS.&nbsp;Contrast, as discussed briefly above, is a function of signal-tobackground ratio and can be adjusted by the amount of material ablated per shot (spot size and/or fluence) or the dwell time of each scanned m/z channel during the quadrupole sweep. Given a set of lasing conditions, optimizing the distribution of dwell times between all m/z channels scanned will achieve the best possible contrast for all analytes in one run.&nbsp;Optimization of the Dwell Times was performed using the Precognition Add-On from Iolite Software available for ActiveView2 Laser Ablation Software. First, signal intensity data for all desired isotopes were acquired using a simple line scan across a section of the sample surface with high perceived variability. The data were loaded into the Precognition module, which then optimized the dwell times to improve the Signal-toNoise ratio (SNR) for each scanned isotope. There are two methods available:&nbsp;<ol><li>The Hutchinson Method: Dwell times are distributed such that the SNR is increased to above 3 for all isotopes.&nbsp;</li><li>The Van Malderen Method: adjusts dwell times to improve SNR of isotopes whilst being constrained to the washout of the cell.&nbsp;</li></ol>The Hutchinson method may result in cycle times much longer than the pulse width of the signal, so in this study the Van Malderen method was chosen. Resulting dwell times are summarized in Table 2.<h4>Conclusions&nbsp;</h4>Through careful optimization of laser ablation and ICP-MS parameters, it is possible to generate high quality multi-elemental images at a fast rate. The use of new low-dispersion laser ablation cells and aerosol transfer technology is not limited to simultaneous mass spectrometers and is also applicable to sequential scanning mass spectrometers such as Quadrupole ICP-MS.&nbsp;The major limitation of coupling low-dispersion Laser Ablation systems to sequential mass spectrometers is the limited number of elements that can be scanned; however, this is offset by the sensitivity and the specificity of, especially, triple quadrupole ICPMS systems for the reduction of interferences on select analytes.&nbsp;Most imaging experiments can be reduced to three or four analytes of interest, and in these cases LA-ICP-MS coupled to Triple Quadrupole ICP-MS using a low-dispersion, fast imaging setup can provide the analytical data quality required to answer challenging research questions.

News from LabRulezICPMS Library - Week 43, 2025

Essential-oil nanoformulations represent promising green-nanotechnology tools for mosquito control. We investigated, for the first time, the effect of Polysorbate 80 (PS80) on the larvicidal efficiency of Dizygostemon riparius essential-oil nanoemulsions (EODr) against Aedes albopictus, a vector of arboviruses such as dengue. Using a simplex-centroid design, EODr nanoemulsions were optimized and their ecotoxicological impact assessed on Artemia salina microcrustaceans.The essential oil, obtained by hydrodistillation, contained fenchol, fenchyl acetate, caryophyllene, and caryophyllene oxide, as confirmed by GC–MS–FID and NMR analyses. Dynamic light scattering and TEM revealed spheroidal nanostructures with favorable stability (PDI, ZP). The optimized formulation displayed potent larvicidal activity and markedly lower toxicity than conventional chemical larvicides, underscoring its potential as a sustainable mosquito-control alternative.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690">Influence of Polysorbate 80 on the Larvicidal and Ecotoxicological Profile of Dizygostemon riparius Essential Oil Nanoemulsion: Insights into Green Nanotechnology</a></h4>Clenilma M. Brandão, Djanira R. dos Santos, Lucas G. P. Silva, Mirla C. Ferreira, Joyce M. de F. Mesquita, Melissa P. Souza, Carlos A. Holanda, Renato S. Gonçalves, Emmanoel V. Costa, Georgiana E. de C. Marques, Rogério de M. Teles, Kiany S. B. Cavalcante*J. Agric. Food Chem. 2025, 73, 31, 19327–19339<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.jafc.5c04690">https://doi.org/10.1021/acs.jafc.5c04690</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.Emerging and reemerging arboviruses represent a global public health challenge. Dengue, chikungunya, and Zika viruses are primarily transmitted by Aedes aegypti and Aedes albopictus mosquitoes. <a href="javascript:void(0);">(1,2)</a> This is a global concern, but especially in Brazil and Maranhão, where vaccination coverage is still expanding and the recurrent increase in epidemic cases raises concerns and requires urgent measures to prevent and combat the mosquito vectors. <a href="javascript:void(0);">(3)</a> The main control strategies are the use of larvicides and synthetic insecticides. <a href="javascript:void(0);">(4)</a> However, the repeated use of these synthetic compounds has contributed to the selection of resistant populations of Aedes mosquito species. <a href="javascript:void(0);">(5)</a>In this way, the search for natural larvicides has proven to be a promising alternative strategy, with essential oils (EOs) standing out, since the complex mixture of bioactives in EOs includes classes of metabolites that give plants protection and reduce resistance against attacks by pathogens and insects. <a href="javascript:void(0);">(6)</a>The bioactivity of EOs can be attributed to their complex mixture mainly composed of monoterpenes, sesquiterpenes, and their oxygenated derivatives. <a href="javascript:void(0);">(7,8)</a> The biological activity of EOs against Aedes mosquitoes is associated with multiple mechanisms, depending on the target action, from digestive toxicity to enzyme inhibition and toxicity to the nervous system in the larval stage. They are therefore promising, effective, and potentially environmentally safe alternatives to current synthetic larvicides. <a href="javascript:void(0);">(9−11)</a>However, the limited availability of raw materials, low yield, high volatility, and low miscibility of EOs in aqueous media make their application in natura unfeasible. In this context, the use of surfactants is necessary, with nonionic surfactants being the most viable for use with EOs, as they reduce changes in their properties and promote the formation of micellar and/or vesicular structures with greater efficiency on a micro and/or nanoemulsion scale. <a href="javascript:void(0);">(12,13)</a>In this context, the study focuses on the chemical composition of the EO of the plant species identified in the Cerrado biome region in the state of Maranhão, with two floral morphotypes, lilac and white, registered as Dizygostemon riparius Scatigna and Colletta (Plantaginaceae), <a href="javascript:void(0);">(14)</a> characterized the chemical profile of the EO of D. riparius (EODr) as terpenic and evaluated the larvicidal action against larvae of the A. albopictus mosquito, with this action being attributed to the EO matrix consisting of the major chemotypes, fenchyl acetate and fenchol. <a href="javascript:void(0);">(15)</a>In the above-mentioned study, polysorbate 80 (PS80), a nonionic surfactant, was used in the composition of the emulsified system. Although PS80 is widely used in the preparation of emulsions, microemulsions and nanoemulsions, optimal concentration for formulations of mixtures with EOs is not well-defined in the literature. <a href="javascript:void(0);">(16−18)</a>In addition to the search for emulsified systems and promising strategies to enhance the action of the bioactives present in EODr, the use of design of experiments (DOE), such as simplex centroid design (SCD), are of paramount importance to understand the interaction between the constituents of emulsified systems, in addition to increasing target-biocidal action and decreasing biological resistance. <a href="javascript:void(0);">(19)</a>The SCD is a mathematical-statistical approach to mixture design aimed at developing and optimizing analytical responses. The adoption of this approach has proven to be methodologically effective for modeling the combined biological activities of different secondary metabolites. <a href="javascript:void(0);">(20,21)</a>Furthermore, this type of experimental design is of great practical interest, as it involves a minimum number of experiments, the development of improved and/or innovative formulations that provide targeted responses and highlight general aspects of the interactions between independent factors. <a href="javascript:void(0);">(22−24)</a>The article presents the formulation and characterization of EODr nanoemulsion systems and the investigation of the influence of PS80 on the larvicidal and ecotoxicological activity of emulsified EODr mixtures, using the SCD methodology, as well as their EODr-PS80 interactions.<h4>Experimental Section</h4><h5>Chemical Composition: CG-FID and GC-MS</h5>The GC-FID analysis was conducted using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GC-17A">Shimadzu GC-17A</a>. The GC-MS analysis was performed using a Thermo Scientific Trace Ultra GC coupled to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">ISQ MSQ</a>. <a href="javascript:void(0);">(27,28)</a> Detailed methodology is provided in the <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.jafc.5c04690/suppl_file/jf5c04690_si_001.pdf">Supporting Information</a>.<h5>Chemical Composition: NMR 1H and 13C</h5>The NMR spectra of the EODr sample and the chemical standards of the main compounds, including 1D (1H, 13C, DEPT-135) and 2D (COSY, HSQC, HMBC), were recorded using a BRUKER AVANCE III HD spectrometer (Billerica, MA, USA), operating at 11.75 T (500.13 MHz for 1H NMR and 125.76 MHz for 13C NMR). Detailed methodology is provided in the <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.jafc.5c04690/suppl_file/jf5c04690_si_001.pdf">Supporting Information</a>.<h5>Nanoemulsions Formulation</h5>The nanoemulsions were obtained by the low-energy oil–water emulsification method (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690#fig1">Figure 1</a>) without the use of specialized equipment. <a href="javascript:void(0);">(29)</a> The steps of preparation of the mixtures involved some of the 12 principles of green chemistry. <a href="javascript:void(0);">(30)</a><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Agric_Food_Chem_2025_73_31_19327_19339_Figure_1_General_scheme_for_the_preparation_of_EO_Dr_PS_80_nanoformulations_03a883a55f.jpg" alt="J. Agric. Food Chem. 2025, 73, 31, 19327–19339: Figure 1. General scheme for the preparation of EODr-PS80 nanoformulations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Agric_Food_Chem_2025_73_31_19327_19339_Figure_1_General_scheme_for_the_preparation_of_EO_Dr_PS_80_nanoformulations_03a883a55f.jpg 245w," sizes="100vw" width="1674" height="658"><h4>Results and Discussion</h4><h5>Chemical Profile: GC-MS and CG-FID</h5>The chemical profiling of the EODr matrix confirmed the plant species’ chemical composition and allowed us to associate the interactions between its constituents with the observed biological responses.<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690#tbl1">Table 1</a> shows the chemical composition via GC-MS and CG-FID of the EODr matrix, lilac floral morphotype, as well as the analysis of the chemical patterns (Sigma-Aldrich) of the four chemotypes in relative percentage (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.jafc.5c04690/suppl_file/jf5c04690_si_001.pdf">Figures S1–S13</a>).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Agric_Food_Chem_2025_73_31_19327_19339_Table_1_Chemical_Composition_of_EO_Dr_Lilac_Morphotype_and_Patterns_of_the_Major_Chemotypes_0068a4fae4.jpg" alt="J. Agric. Food Chem. 2025, 73, 31, 19327–19339: Table 1. Chemical Composition of EODr, Lilac Morphotype, and Patterns of the Major Chemotypes. P = chromatogram peaks (Figures S1, S6, S8, S10, and S12); RTmin = retention time; RICalc. = calculated retention indices (on TR-5MS capillary column 30 m × 0.25 mm × 0.25 μm) according to van Den Dool and Kratz, (27) based on a homologous series of normal alkanes; RILit. = literature retention indices, Adams; (28) % = relative percentage; MF = molecular formula; TC = terpene classes." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Agric_Food_Chem_2025_73_31_19327_19339_Table_1_Chemical_Composition_of_EO_Dr_Lilac_Morphotype_and_Patterns_of_the_Major_Chemotypes_0068a4fae4.jpg 136w," sizes="100vw" width="944" height="1085">The chemical matrix of EODr shows a terpene profile, displaying chemical compound classes of monoterpenes, oxygenated monoterpenes, sesquiterpenes and oxygenated sesquiterpenes, totaling 98.77% of the relative percentage of chemical constituents. The predominance of oxygenated monoterpenes fenchol and fenchyl acetate is significant, totaling 89.0% of the EODr matrix.The chemical profile observed in the present study is in line with the results reported by Brandão and collaborators, <a href="javascript:void(0);">(15)</a> as well as Galvão and associates <a href="javascript:void(0);">(39)</a> who observed the terpene pattern of the EO of the same plant species, with emphasis on the chemotypes of the species, oxygenated monoterpenes, endo fenchol, 42.97%; endo fenchyl acetate, 46.03%; sesquiterpenes; (E)-caryophyllene, 4.81% and oxygenated sesquiterpenes, caryophyllene oxide, 1.94%.The percentage variations observed in the chemical composition compared to previously published studies are due to circadian, seasonal and edaphoclimatic conditions, as the yield and chemical composition of EOs are associated with rainfall, relative humidity, solar radiation, atmospheric constitution and variations in temperature range, wind, soil and relief. <a href="javascript:void(0);">(40−44)</a>Several studies suggest that the terpenic pattern of various chemical matrices of EOs extracted from different botanical families is correlated with high larvicidal activity against A. albopictus and A. aegypti larvae. <a href="javascript:void(0);">(45,46)</a> In this respect, studies indicate that the bioactives in the essential oil and crude extracts of the lilac morphotype of the species from the Maranhão Cerrado, D. riparius, have effective larvicidal activity, respectively, against the species A. albopictus and A. aegypti. <a href="javascript:void(0);">(15,47)</a><h5>Chemical Profile: 1H NMR and 13C NMR</h5>The 1H NMR data (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690#tbl2">Table 2</a>) provide crucial insights into the differentiation of the four major compounds in the EODr sample: fenchol, fenchyl acetate, caryophyllene, and caryophyllene oxide (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690#fig3">Figure 3</a>).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Agric_Food_Chem_2025_73_31_19327_19339_Figure_3_Structures_of_the_main_compounds_chemical_markers_of_the_species_D_riparius_4b26a414e5.jpg" alt="J. Agric. Food Chem. 2025, 73, 31, 19327–19339: Figure 3. Structures of the main compounds, chemical markers of the species D. riparius." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Agric_Food_Chem_2025_73_31_19327_19339_Figure_3_Structures_of_the_main_compounds_chemical_markers_of_the_species_D_riparius_4b26a414e5.jpg 245w," sizes="100vw" width="1657" height="353"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Agric_Food_Chem_2025_73_31_19327_19339_Table_2_NMR_Data_for_1_H_125_M_Hz_CD_Cl3_of_the_Sample_Presented_as_Chemical_Shifts_d_b2ea86d88d.jpg" alt="J. Agric. Food Chem. 2025, 73, 31, 19327–19339: Table 2. NMR Data for 1H (125 MHz; CDCl3) of the Sample Presented as Chemical Shifts (δ)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Agric_Food_Chem_2025_73_31_19327_19339_Table_2_NMR_Data_for_1_H_125_M_Hz_CD_Cl3_of_the_Sample_Presented_as_Chemical_Shifts_d_b2ea86d88d.jpg 211w," sizes="100vw" width="1060" height="786">Fenchol and fenchyl acetate exhibit characteristic singlets at δ 1.08 and 1.09 for C8, along with methyl signals at δ 0.98–1.03 (C9) and δ 0.86–0.77 (C10), which confirm their bicyclic structures. The presence of a doublet at δ 3.25 in fenchol and at δ 4.35 in fenchyl acetate further differentiates the hydroxyl and acetate functional groups at C2, respectively.Caryophyllene is distinguished by its olefinic protons at δ 5.43–5.29 (H5), indicative of its bicyclo[3.3.0]octane system, whereas caryophyllene oxide exhibits shifts at δ 4.97 and 4.86 (H13), confirming the presence of an epoxide moiety. Additionally, the overlapping multiplets in the aliphatic region (δ 1.05–1.77) for all four compounds complicate signal attribution, especially due to spectral congestion from fenchol and fenchyl acetate.However, the combined use of 13C NMR, DEPT-135, and two-dimensional NMR techniques enabled the complete assignment of all proton resonances, ensuring accurate structural characterization (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.jafc.5c04690/suppl_file/jf5c04690_si_001.pdf">Figures S14–S19</a>).The NMR data (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690#tbl3">Table 3</a>) clearly distinguish the four major compounds in the EODr sample. Fenchol and fenchyl acetate exhibit similar chemical shifts, particularly at δ 49.1 and δ 48.1 (C1) and in the C3–C10 region. The key differentiating feature is the ester carbonyl signal at δ 171.6 in fenchyl acetate, absent in fenchol. Both compounds also display an oxygenated carbon at δ 85.1 and δ 86.1 (C2), indicative of a tertiary alcohol or ester functionality.

Influence of Polysorbate 80 on the Larvicidal and Ecotoxicological Profile of Dizygostemon riparius Essential Oil Nanoemulsion: Insights into Green Nanotechnology

Fe3O4/ZIF-8-90 Nanocomposite as a Strategy for Oncological Treatment

In the week from October 27, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry<blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a></h4>👉 Search and filter in the largest global database with over 5 000 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Wiley: Discover 21st Century Laser-Free Confocal Microscopy</h5><ul><li>Tu, 28.10.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5598">Registration</a></li></ul>Explore how structured illumination and detection deliver confocal-quality imaging without lasers. Learn cost-effective, high-resolution biological imaging techniques.<h5>2. Agilent Technologies: Forensic Identification Using Infrared Spectroscopy</h5><ul><li>Tu, 28.10.2025 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5522">Registration</a></li></ul>Discover how the Agilent Cary 630 FTIR with ATR provides rapid and accurate forensic sample identification, ensuring reliable analytical results.<h5>3. AZoM: Rheo+Raman – Deeper Polymer Insights from Research to QC</h5><ul><li>We, 29.10.2025 14:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5599">Registration</a></li></ul>Join MIT’s Prof. Thomas J. Wallin and Anton Paar experts to explore how Rheo+Raman reveals real-time polymer curing, flow, and 3D printing behaviors.<h5>4. Mettler-Toledo: Uncover the Secrets of Temperature-Modulated DSC</h5><ul><li>Th, 30.10.2025 08:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4750">Registration</a></li></ul>Learn the theory behind TMDSC and discover TOPEM applications for advanced material characterization and thermal analysis.<h5>5. Bruker: QUANTAX WDS – Advancing Microanalysis Beyond the Limits of SEM EDS</h5><ul><li>Th, 30.10.2025 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5600">Registration</a></li></ul>See how QUANTAX WDS improves SEM microanalysis with better spectral resolution, higher sensitivity, and superior light-element detection.<h5>6. Anton Paar: e-SPRESSO Webinar – Big Density Results from Small Samples</h5><ul><li>Th, 30.10.2025 20:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5575">Registration</a></li></ul>Learn how to perform accurate solid density measurements with minimal sample quantities, ensuring precision and reliability in material analysis.<h5>7. Agilent Technologies: Internal Standard Selection</h5><ul><li>Th, 30.10.2025 20:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5450">Registration</a></li></ul>Master how to choose and apply the right internal standard for analytical workflows to improve quantitation accuracy and reproducibility.

Webinars LabRulezICPMS Week 44/2025

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 27th October 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.</blockquote>This week we bring you application notes by LECO, Shimadzu and Thermo Fisher Scientific!<h3>1. LECO: Determination of Total Organic Carbon in Soil, Rock, and Shale by Acid Digestion and Combustion</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/C832_TOTAL_ORGANIC_CARBON_SOIL_ROCK_SHALE_203_821_679_b48939f659.pdf">Full PDF for download</a></li></ul>Total organic carbon (TOC) determination in soil, rock, and shale is a common analytical tool used for determining locations of natural hydrocarbon fossil fuel deposits. The organic carbon richness of rock samples (TOC%) is one of the most important parameters used in the evaluation of sediments as a potential source for petroleum or natural gas. TOC content controls the hydrocarbon generation ability of rock and the content of adsorbed natural gas within the rock, as it is the source material responsible for the formation of natural hydrocarbon fossil fuel deposits.&nbsp;TOC determination can also be used for the assessment of soil quality in agriculture and as a quality control parameter for raw building materials. TOC content is one of the most important constituents of soil due to its capacity to affect plant growth as both a source of energy and a trigger for nutrient availability through mineralization. The determination of TOC is also an important quality control parameter used during the manufacturing of cement, from the raw material until the final product.<h4>Instrument Model and Configuration&nbsp;</h4>The LECO C832 is a macro combustion carbon determinator that utilizes a pure oxygen environment in a high-temperature horizontal ceramic combustion furnace designed to handle macro sample masses. A weighed sample is combusted, and the combustion gases are swept from the furnace and through anhydrone tubes for the removal of moisture. The combustion gases are then carried to a non-dispersive infrared (NDIR) cell for the detection of carbon (as CO2).<h4>Typical Results&nbsp;</h4>Data was generated utilizing a linear, full regression calibration using fractional masses (~0.1 g to ~0.25 g) of LECO 502-950 LCRM Synthetic Carbon (0.14% C), LECO 502-696 LCRM Synthetic Carbon (1.01% C), LECO 502-905 LCRM Synthetic Carbon (5.00% C) and fractional masses (~0.1 g to ~0.5 g) of LECO 502-902 LCRM Calcium Carbonate (12.03% C). The calibration was verified with LECO 502-696 LCRM Synthetic Carbon (1.01% C).<h3>2. Shimadzu: Determination of Metal Elements in Edible Oils Using ICP-MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00920_en_a8363ed014.pdf">Full PDF for download</a></li></ul><h4>User Benefits</h4><ul><li>It is possible to accurately analyze metal elements in edible oils.&nbsp;</li><li>Edible oils can be analyzed using only dilution with organic solvents, which simplifies sample preparation and improves throughput.&nbsp;</li><li>The use of solvent-resistant peristaltic pump tubing enables the addition of internal standard elements in-line, even during the analysis of organic solvents, thereby eliminating the need for manual addition.</li></ul>Edible oils are essential in our diet. Analyzing metal elements in edible oils is crucial for ensuring food safety and preserving oil quality. The Codex General Standard for Contaminants and Toxins in Food and Feed1) (hereinafter referred to as CODEX) requires the management of heavy metals (such as arsenic and lead) present in edible oils. Additionally, metal ions such as copper, iron, and manganese in edible oils can act as oxidation catalysts, affecting the deterioration of the oil.&nbsp;For the analysis of metal elements in edible oils, methods involving the acid digestion of the oil followed by analysis using ICP Optical Emission Spectrometry (ICP-OES) or ICP Mass Spectrometry (ICP-MS) are known. While digestion with acid can remove the organic matrix, it also carries the risk of volatilizing or contaminating the analytes during the complex sample preparation process, which can lead to errors in the analysis results. Furthermore, the complex sample preparations are timeconsuming and limit throughput. Another method involves diluting edible oils with organic solvents and analyzing them by ICP-OES. However, with this method, it can be challenging to achieve sufficient sensitivity for the analysis of harmful trace elementssuch as As and Pb.&nbsp;In this Application News, the ICPMS-2050 (Fig. 1) was used to analyze 25 metal elements by simply diluting edible oils with an organic solvent. Spike recovery tests are also performed to verify the validity of the analytical results.<h4>Removal of Interference and Detection Limit&nbsp;</h4>To analyze metal elements with high sensitivity in organic solvents, it is necessary to eliminate interferences caused by carbon from the organic solvent. For example, there are carbonderived polyatomic ion interferences such as 12C12C+ on 24Mg, 12C16O+ on 28Si, and 40Ar12C+ on 52Cr. By using collision mode with helium gas or reaction mode with hydrogen gas, these interferences can be eliminated, enabling sensitive analysis. As an example, Fig. 2 shows the calibration curve for Cr under each condition. In the No Gas mode, the influence of 40Ar12C+ results in a high background equivalent concentration (BEC), making it challenging to analyze trace amounts of 52Cr. However, in collision mode and reaction mode, interferences can be eliminated, reducing the BEC and enabling the analysis of trace amounts of 52Cr.&nbsp;Additionally, the detection limits (DLs) are shown in Table 4. The detection limits were calculated as the concentration that gives a signal equivalent to three times the standard deviation (σ) of the calibration blank sample (STD0). Detection limits of arsenic and lead in edible oils were sufficient to monitor the CODEX standard values of 100 µg/kg (0.1 mg/kg).<h4>Conclusion&nbsp;</h4>In this Application News, the analysis of metal elements in edible oils was performed using the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=ICPMS-2050">ICPMS-2050</a> with the organic solvent injection system. Good spike recoveries were achieved, confirming that trace metal elements in edible oils can be accurately quantified with a simple sample preparation involving only dilution with organic solvents. Since it is possible to analyze without the complex proceduresrequired for acid decomposition, the risk of volatilization or contamination of the analytes during the sample preparation process is reduced. Additionally, the use of solvent-resistant peristaltic pump tubing enables the in-line addition of internal standard elements, further reducing the time required forsample preparation.<h3>3. Thermo Fisher Scientific: Fast routine analysis of trace and ultra trace elements in zinc alloys by Glow Discharge Mass Spectrometry</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003108_ioms_gd_ms_element_gd_plus_zinc_alloys_an003108_em_en_34cfefa25e.pdf">Full PDF for download</a></li></ul>Zinc is used for different applications like corrosion protection, in fertilizers, pharmaceuticals and in energy storage as alternative for lithium-based batteries. Zinc alloys are used e.g. for die casting and as galvanizing alloys1 . Corrosion of zinc-aluminum alloys is accelerated by small amounts of impurities, especially lead, cadmium, and tin2,3. Lead and other impurities such as antimony influence the morphology and orientation of electrolytically deposited zinc4 . To ensure consistently high product quality, the analysis of trace and ultra trace elements in zinc and its alloys is essential. There is an increasing demand to specify better grades of zinc and zinc alloys and therefore, better limits of detection are required. With the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1690">Thermo Scientific™ Element GD Plus™ Glow Discharge Mass Spectrometer</a> sub-ppb levels of detection can be achieved, much lower than by Spark-OES and GD-OES. The Element GD Plus GD-MS is being used for quality control in routine production for different applications in industrial manufacturing environments. This document describes the fast direct determination of elements in zinc alloys down to ppb level.<h4>Analytical setup&nbsp;</h4>The flat zinc alloys samples (Figure 1) are analyzed directly, and no digestion is required. The instrumental conditions for the analysis with the Element GD Plus GD-MS are shown in Table 1. To remove any potential sample surface contamination, fast presputtering in continuous DC mode was applied before the data acquisition. Depending on the sample preparation (e.g. milling or grinding), the resulting degree of surface contamination, and the limits of detection required, lower presputter times can be used, leading to even higher sample throughput. Most elements are analyzed in Medium Mass Resolution (R = 4000). Gallium and Yttrium are analyzed in High Mass Resolution (R = 10000) to ensure an interference-free measurement by resolving the analytes from the ZnH and MgZn interferences.<h4>Results&nbsp;</h4>The Certified Reference Materials BCR-357, BCR-359 and BCR-360 have been used to calibrate Mg, Fe, Ni, Cu, Cd, In, Sn, Tl and Pb in zinc alloys. The calibration lines are displayed in Figure 2, showing excellent linearity. This calibration was used for the quantification of elements in a zinc alloy sample. For the elements that were not calibrated, the Standard Relative Sensitivity Factors (sRSF) of the Element GD Plus GD-MS were used by the software for quantification. With the sRSFs, the semiquantitative results typically fall within ± 30 % of the true values. Table 2 shows the mass fractions for selected elements as well as the relative standard deviation (RSD) of three replicative consecutive measurements on the same spot. Mass fractions in the single digit ppb range can be quantified with ≤ 10 % RSD. For mass fractions ≥ 0.4 ppm the RSD was ≤ 2 %. For mass fractions ≥ 30 ppm the RSD was 1 %. When the result was below the Limit of Detection (defined as 3 x standard deviation of low concentration measurements), it is stated as &lt; Limit of Detection. With the method used, the typical Limits of Detection are in the low single digit ppb range.<h4>Conclusions&nbsp;</h4>The Element GD Plus GD-MS is an extremely sensitive tool for determining trace and ultra trace impurities in solid samples. The calibration lines in zinc alloy matrices show excellent linearity. Mass fractions at the ppb and ppm level are quantified precisely and reliably. Single digit ppb mass fractions can be quantified with ≤ 10 % RSD. For mass fractions ≥ 30 ppm the precision was 1 % RSD. Interferences are safely eliminated in either Medium Mass Resolution (R = 4000) or High Mass Resolution (R = 10000). Automatic resolution switching within one second enables the routine use of the optimum mass resolution. Surface contaminations are removed by fast presputtering before the data acquisition. The analysis does not require a digestion and is fast with a sample throughput of approximately five samples per hour.

News from LabRulezICPMS Library - Week 44, 2025

Multidrug-resistant Acinetobacter baumannii (MDR AB) poses a critical global health challenge due to limited treatment options and robust resistance mechanisms. Targeting bacterial bioenergetics, particularly ATP synthase, represents a promising alternative approach inspired by the success of bedaquiline against Mycobacterium tuberculosis.In this study, a library of trisubstituted pyridines was synthesized and evaluated for ATP synthase inhibition in A. baumannii. Four lead compounds demonstrated potent and selective inhibition, exhibiting strong antibacterial activity against both susceptible and MDR clinical isolates. Furthermore, these compounds acted synergistically with colistin, underscoring their potential as novel antibiotics to combat resistant A. baumannii infections.<blockquote><h4>The original article</h4><h5><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c06380">Synthesis and Evaluation of Pyridine-Based Antibacterial Agents that Inhibit ATP Synthase in Acinetobacter baumannii</a></h5>Angelina L. Dennison, Armaan Singh, Toni A. Marchlewski, Sierra N. Ghee, Kevin C. Gence, lAva G. Hammock, Sabrina Liu, Shaylla Wilson, Alexander P. L. Williams, Katie T. Ward, Thomas E. Meigs, P. Ryan Steed*, and Amanda L. Wolfe*ACS Omega 2025, 10, 39, 45823–45839<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c06380">https://doi.org/10.1021/acsomega.5c06380</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.Antimicrobial resistance─a leading cause of death globally─was responsible for &gt;4 million premature deaths in 2019, with projections suggesting this number could rise to over 10 million by 2050. <a href="javascript:void(0);">(1,2)</a> The nosocomial ESKAPE pathogens (Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumonia, Acinetobacter baumannii, Pseudomonas aeruginosa, and Enterobacter spp.) contribute significantly to these deaths. Multidrug resistant A. baumannii (MDR AB), an opportunistic Gram-negative pathogen, poses a serious challenge due to a multitude of resistance pathways, including a robust outer membrane (OM), active efflux pumps, and exiguous aperture porins. Moreover, AB is considered one of the most difficult-to-treat ESKAPE pathogens due to its resistance to safety net antibiotics (including colistin, tigecycline, and carbapenems), which demonstrates the dire need for development of novel antimicrobials. <a href="javascript:void(0);">(3)</a>Recently, efforts in antibiotic discovery and development have shifted toward identifying new bacterial targets to overcome current resistance mechanisms in pathogens. One emerging target is ATP synthase, an essential enzyme in bacterial bioenergetics and all life (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c06380#fig1">Figure 1</a>A). <a href="javascript:void(0);">(4−6)</a> F1Fo ATP synthase is a protein complex comprised of two rotary motors that catalyzes the final step in oxidative phosphorylation. <a href="javascript:void(0);">(7)</a> In bacteria, the membrane-embedded Fo motor is composed of stator ab2 subunits adjacent to a homooligomeric ring of c subunits (c10 in AB). <a href="javascript:void(0);">(8)</a> Rotation of the c-ring, driven by an electrochemical gradient of H+, is coupled to rotation of a central stalk within the cytoplasmic F1 motor (composed of α3β3γδε), which catalyzes phosphorylation of ADP to ATP. ATP synthase has proven to be a druggable antibiotic target through the success of the FDA-approved antitubercular drug bedaquiline (BDQ). <a href="javascript:void(0);">(9)</a> BDQ inhibits ATP production in Mycobacterium tuberculosis (MT) by binding to the H+ binding site at the subunit ac interface in Fo, halting ATP synthesis in the F1 complex and causing cell death. <a href="javascript:void(0);">(10−12)</a> BDQ was the first antibiotic to target bacterial energy metabolism and the first drug approved for MDR MT in over four decades. <a href="javascript:void(0);">(13)</a>Due to the success of BDQ against MT, our group <a href="javascript:void(0);">(14−17)</a> and others <a href="javascript:void(0);">(18−21)</a> have begun to explore whether functionalized quinolines can inhibit ATP synthase in other bacterial pathogens via a similar binding interaction with the Fo c subunit and act as antibiotics against resistant strains. One challenge of targeting ATP synthase in Gram-negative pathogens, like AB specifically, is that the Fo complex of ATP synthase is embedded in the inner membrane. Therefore, the drugs must first penetrate the negatively charged OM and then embed in the hydrophobic inner membrane to inhibit the enzyme. Recently, we have developed and interrogated a series of functionalized quinolines that are able to inhibit ATP synthase in AB and penetrate the OM to act as antibiotics against MDR AB strains. <a href="javascript:void(0);">(17)</a> Specifically, the quinoline core was substituted with a benzyl sulfide at the C1 position and a flexible and basic nitrogen-containing side chain at C2. Functionalization on the western portion of the quinoline increased enzyme inhibition and overall antibacterial activity against both susceptible and MDR AB clinical isolates. However, increasing steric bulk beyond a certain threshold decreased both enzymatic and bacterial activity significantly, which was attributed to overall larger steric bulk limiting the interactions with the c subunit and reducing membrane permeability. Quinoline WSA 261 (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c06380#fig1">Figure 1</a>B) demonstrated the most potent antibacterial activity against both susceptible and MDR AB of the series. <a href="javascript:void(0);">(17)</a> To explore the necessity of the quinoline core and to interrogate the limitations on molecular flexibility and size on AB ATP synthase inhibition more broadly, we have synthesized a library of 34 novel trisubstituted pyridine analogs (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c06380#fig1">Figure 1</a>C) and evaluated this library in enzymatic, antibacterial, and cytotoxicity assays to assess the viability of this series as potential antibacterial agents for treating AB infections.<h4>Methods</h4>Reagents and solvents were purchased reagent-grade and used without further purification. All reactions were performed in flame-dried glassware under an Ar or N2 atmosphere. Evaporation and concentration in vacuo was performed at 40–45 °C. TLC was conducted using precoated SiO2 60 F254 glass plates from EMD with visualization by UV light (254 or 366 nm). NMR (1H or 13C) were recorded on an Varian INOVA-400 MHz spectrometer or a Bruker AVANCE-400 MHz spectrometer at 298 K. Residual solvent peaks were used as an internal reference (CDCl3 with 0.1% TMS). Coupling constants (J) (H,H) are given in Hz. Coupling patterns are designated as singlet (s), doublet (d), triplet (t), multiplet (m) or quintet (qu). IR spectra were recorded on a <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=IRSpirit">Shimadzu IRSpirit FT-IR spectrophotometer</a> and measured neat. Low-resolution mass spectral data were acquired on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-2020">Shimadzu single quadrupole LCMS-2020.</a> High-resolution mass spectral Samples were analyzed with a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=3&amp;search=Q+Exactive+HF-X">Q Exactive HF-X</a> (ThermoFisher, Bremen, Germany) mass spectrometer. Samples were introduced via a heated electrospray source (HESI) at a flow rate of 10 μL/min. HESI source conditions were set as: nebulizer temperature 400 °C, sheath gas (nitrogen) 20 arb, auxiliary gas (nitrogen) 0 arb, sweep gas (nitrogen) 0 arb, capillary temperature 320 °C, RF voltage 45 V. The mass range was set to 100–1000 m/z. All measurements were recorded at a resolution setting of 120,000. Solutions were analyzed at 0.1 mg/mL or less based on responsiveness to the ESI mechanism.<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1758"> Xcalibur</a> (ThermoFisher, Breman, Germany) was used to analyze the data. Molecular formula assignments were determined with Molecular Formula Calculator (v 1.3.0). All observed species were singly charged, as verified by unit m/z separation between mass spectral peaks corresponding to the 12C and 13C12Cc-1 isotope for each elemental composition.<h4>Results and Discussion</h4><h5>ATP Synthase Inhibition</h5>Once synthesized, the pyridine compounds were tested for their ability to inhibit ATP synthase activity using our previously reported luciferin/luciferase assay. <a href="javascript:void(0);">(17)</a> Briefly, endogenous electron transport chains of inverted inner membrane vesicles were energized with NADH to generate a proton gradient and to drive ATP synthesis. ATP was measured via luminescence from the luciferase-catalyzed oxidation of d-luciferin. Luminescence activities across increasing inhibitor concentrations were corrected for gradient independent background sources of ATP by comparison with a control containing the protonophore CCCP (carbonyl cyanide 3-chlorophenylhydrazone). The data were then fit to a four-parameter logistic dose–response curve, from which IC50 values and Hill coefficients were determined using a nonlinear least-squares regression.Assessing the SAR of ATP synthase inhibition, pyridines with H or Br at C4 exhibited the lowest inhibitory activity across all amine series (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c06380/suppl_file/ao5c06380_si_001.pdf">Table S1</a>, <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c06380#fig2">Figure 2</a> and <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c06380/suppl_file/ao5c06380_si_001.pdf">S1</a>). Among compounds having C4 phenyl groups, the 4-methoxyphenyl, 3-fluoro-4-methoxyphenyl, and 4-methylphenyl analogs showed potent IC50 values across all amine types, while the 2,4-difluorophenyl, phenyl, and 4-fluorophenyl substituents generally demonstrated weaker inhibitory activity. Compounds WSA 290, 289, 275, 288, and 305 showed the strongest inhibitory activity among the pyridines, with IC50 values between 190 and 270 ng/mL. These in vitro IC50 values are significantly lower than that of WSA 261 (IC50 = 770 ng/mL), suggesting that the pyridine scaffold improves AB ATP synthase inhibitory activity. WSA 290, 289, and 288 all belonged to the C2 cyclopentyl piperidine substituted series, while WSA 275 belonged to the methyl piperazine series and WSA 305 belonged to the ethyl piperidine series. WSA 290 and WSA 275, the strongest performing compounds in their amine series, contained 3-fluoro-4-methoxyphenyl at C4; similarly, WSA 297 (IC50 = 270 ng/mL) with the same 3-fluoro-methoxyphenyl C4 substituent was the strongest performing compound within the benzyl pyrrolidine series. WSA 288 and WSA 305 had methoxyphenyl C4 substituents, and WSA 289 contained a methylphenyl group off C4. The presence of a methoxy group, in both ortho disubstituted and monosubstituted forms, on the C4 phenyl seems to confer stronger inhibition.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_39_45823_45839_Figure_2_Potent_inhibition_of_ATP_synthesis_activity_86ae703368.jpg" alt="ACS Omega 2025, 10, 39, 45823–45839: Figure 2. Potent inhibition of ATP synthesis activity. ATP synthesis activities of inverted membrane vesicles in the presence of 0–16 μg/mL inhibitor (log2 scale) are plotted relative to the DMSO control containing no inhibitor. Replicate measurements are shown as dots. The fitted dose response curves are shown as solid lines, and the dashed lines indicate the 95% confidence bounds of the fit." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_39_45823_45839_Figure_2_Potent_inhibition_of_ATP_synthesis_activity_86ae703368.jpg 245w," sizes="100vw" width="4151" height="2101"><h5>Computational Docking</h5>Computational docking was performed using GNINA and PLIP (see <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c06380#sec4">Methods</a>). The protein (PDB ID: <a target="_blank" rel="noopener noreferrer" href="http://doi.org/10.2210/pdb7P2Y/pdb">7P2Y</a>) <a href="javascript:void(0);">(22)</a> was assigned protonation states using the H++ server, <a href="javascript:void(0);">(23)</a> compounds were protonated at pH 7 using Open Babel, <a href="javascript:void(0);">(24)</a> and both were prepared for docking using Autodock Tools. Docking was performed using GNINA with a fixed grid box centered around cAsp60. Poses from GNINA were then input into PLIP 2.3.0 to extract interaction level data.The strong inhibitors WSA 290, 289, 275, 288, and 305 all formed salt-bridges between their secondary or tertiary amines and cAsp60 (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c06380/suppl_file/ao5c06380_si_001.pdf">Table S2</a>). The conformations adopted also allowed for hydrogen bonding with the backbones of cPhe53, cGly57 (WSA 290), cMet64 (WSA 275), and aLeu257 (WSA 305). Additionally, cIle65, cLeu71, aIle242, aLeu245, aIle246, and aLeu257 formed a hydrophobic binding pocket that consistently interacts with these compounds. The enriched binding pocket for high affinity compounds is shown in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c06380#fig3">Figure 3</a>A, where residue-ligand contacts were computed using PLIP on the chosen GNINA poses for each compound. This binding pocket overlaps substantially with that predicted for our previous quinoline scaffold (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c06380#fig1">Figure 1</a>A), supporting a conserved binding mode centered around the cAsp60-mediated salt-bridge and a hydrophobic cavity across both chemotypes.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_39_45823_45839_Figure_3_A_The_putative_binding_site_in_the_ac_interface_of_A_baumannii_ATP_synthase_25731daecd.jpg" alt="ACS Omega 2025, 10, 39, 45823–45839: Figure 3. (A) The putative binding site in the ac interface of A. baumannii ATP synthase (PDB ID: 7P2Y) is shown at the interface of subunit a (left, pale cyan) and the c-ring (right, light blue). Residues in the binding pocket are colored by enrichment score, defined here as frequency of binding to strong inhibitors divided by frequency of binding to weak inhibitors, where strong inhibitors are those with IC50 &lt; 500 ng/mL and weak inhibitors are those with IC50 &gt; 5000 ng/mL. The residues shown as sticks are those with enrichment &gt;1 (i.e., frequent interaction with strong inhibitors) and cAsp60 (a key salt-bridge forming residue). (B) Computed binding poses of compounds WSA 276 (cyan), WSA 278 (yellow), and WSA 280 (magenta) in the methyl piperazine series with 4-dimethylamino, 4-methoxyphenyl, and 4-methylphenyl western fronts. (C) Computed binding poses of compounds WSA 288 (cyan), WSA 289 (magenta), and WSA 302 (yellow) in the cyclopentyl piperidine series with 4-methoxyphenyl, 4-methylphenyl, and phenyl western fronts, respectively. (D) Computed binding poses of compounds WSA 297 (yellow), WSA 298 (cyan), WSA294 (orange), and WSA296 (purple) of the benzyl pyrrolidine series, with 2,4-fluoromethoxyphenyl, 4-fluorphenyl, 4-phenyl, and 4-methoxyphenyl C4 substituents respectively." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_39_45823_45839_Figure_3_A_The_putative_binding_site_in_the_ac_interface_of_A_baumannii_ATP_synthase_25731daecd.jpg 159w," sizes="100vw" width="1868" height="1838"><h4>Conclusions</h4>As discussed, development of new antibiotics that overcome bacterial resistance in MDR AB is a critical need globally due to the rising rate of bacterial infections caused by this pathogen. Bacterial bioenergetics are underexplored drug targets that if properly and selectively inhibited could provide a robust area for antibiotic development, helping to slow the rate of resistance emergence. While the quinoline scaffolds derived from the antitubercular ATP synthase inhibitor BDQ have been the standard for inhibitor development of this type to date, limitations in molecular design and synthesis require new scaffolds to be explored.Through biochemical and antibacterial evaluation of our trisubstituted pyridine library we have demonstrated that the traditional quinoline core is not required for ATP synthase inhibition in AB, opening a new area of drug development from a more readily available starting material. Specifically, we explored the SAR of AB ATP synthase inhibition and found that enzyme inhibition is driven by both molecular size and interaction with key residues in the proposed binding site of the ac interface of Fo. However, despite the increase in enzyme inhibition compared to the traditional quinoline series, antibacterial activity was limited, and the most potent compounds were cytotoxic against mammalian cells indicating that there is room for improvement using strategic molecular design. Four pyridines, WSA 276, WSA 288, WSA 289, WSA 298, with variations at C2 and C4 but similar overall molecular size and flexibility demonstrated potent antibacterial activity against both susceptible and MDR AB clinical isolates due to selective inhibition of AB ATP synthase in ng/mL concentrations. Additionally, this set had the most favorable preliminary toxicity ratio when dosed in combination with colistin, making them the basis for future studies to improve activity and selectivity of the class.

Synthesis and Evaluation of Pyridine-Based Antibacterial Agents that Inhibit ATP Synthase in Acinetobacter baumannii

In the week from November 3, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry<blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a></h4>👉 Search and filter in the largest global database with over 5 000 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Wiley: Discover Hidden Trends in Spectral &amp; Chromatographic Datasets</h5><ul><li>Tu, 4.11.2025 14:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5604">Registration</a></li></ul>Learn how KnowItAll’s Trendfinder uses Principal Component Analysis (PCA) to reveal hidden correlations and trends in large analytical datasets.<h5>2. Bruker: Exploring Multi-Field Layer Thickness Capabilities with Micro-XRF in SEM</h5><ul><li>Tu, 4.11.2025 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5627">Registration</a></li></ul>Explore the principles of micro-XRF-based layer thickness analysis. Learn how to calculate and interpret layer thickness directly in the scanning electron microscope.<h5>3. Bruker: Flow Chemistry Meets AI and NMR for Next-Gen API Production</h5><ul><li>Tu, 4.11.2025 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5561">Registration</a></li></ul>Discover how AI, NMR, and flow chemistry integration revolutionize API manufacturing through real-time monitoring, scalability, and sustainable automation.<h5>4. Agilent Technologies: Avoiding Double Charged Interferences on Single Quadrupole ICP-MS</h5><ul><li>Tu, 4.11.2025 21:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/2769">Registration</a></li></ul>Learn how to configure half-mass measurements in your ICP-MS software to minimize double-charged ion interferences and improve analytical accuracy.<h5>5. Technology Networks: Enhancing Pharmaceutical Manufacturing Using Raman Spectroscopy</h5><ul><li>We, 5.11.2025 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5563">Registration</a></li></ul>See how Raman spectroscopy enhances pharmaceutical manufacturing with fast, non-destructive testing to improve process control and regulatory compliance.<h5>6. Anton Paar: Effortless Particle Size Analysis – See the Difference</h5><ul><li>We, 5.11.2025 18:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5636">Registration</a></li></ul>Experience the Anton Paar Litesizer DIF 500 for laser diffraction. Learn how modular Quick-Click design and Kalliope™ software simplify particle size analysis.<h5>7. Bruker: Quantitative CEST MRI – From Principles to Applications in Cancer and Neuroimaging</h5><ul><li>Th, 6.11.2025 10:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5397">Registration</a></li></ul>Explore CEST MRI fundamentals, correction techniques, and applications in cancer and neuroimaging, bridging preclinical and clinical research.<h5>8. Bruker: Catch Up with eWARP – Unmatched EBSD Performance</h5><ul><li>Th, 6.11.2025 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5628">Registration</a></li></ul>Discover how eWARP’s hybrid pixel sensor advances EBSD analysis, offering unmatched speed, resolution, and performance for materials characterization.

Webinars LabRulezICPMS Week 45/2025

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 3rd November 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.</blockquote>This week we bring you application notes by LECO and Shimadzu and poster by Thermo Fisher Scientific!<h3>1. LECO: Determination of Carbon, Hydrogen, and Nitrogen in Biomass</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/CHN_828_CARBON_HYDROGEN_NITROGEN_BIOMASS_203_821_665_bccca204f2.pdf">Full PDF for download</a></li></ul>Carbon, Hydrogen, and Nitrogen determination is part of the ultimate analysis of solid biofuel materials. Determining the content of these elements can help to characterize the materials and provide information that can be utilized in calculating material/energy balances. In addition, this information may be used to calculate efficiencies, as well as emissions potentials, for solid biofuel materials.&nbsp;<h4>Instrument Model and Configuration&nbsp;</h4>The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=24&amp;search=CHN828">LECO CHN828</a> is a combustion Carbon, Hydrogen, and Nitrogen determinator that utilizes a pure Oxygen environment in a vertical quartz furnace, ensuring complete combustion and superior analyte recovery. Combustion gases are swept from the furnace through an afterburner containing a reagent to scrub Sulfur compounds from the gas stream prior to collection in the ballast volume. The combustion gases are collected in a ballast where they equilibrate and mix before a representative aliquot (3 cm3 or 10 cm3 volume) of the gas is extracted and introduced into a flowing stream of inert gas (Helium or Argon) for analysis. The aliquot gas is carried to an infrared cell (IR) for the detection of Carbon (CO2) and a thermal conductivity cell (TC) for the detection of Nitrogen (N2). A separate portion of the ballast gas is transferred to an IR cell for the detection of Hydrogen (H2O).&nbsp;Thermal conductivity detectors work by detecting changes in the thermal conductivity of the analyte gas compared to a reference/carrier gas. The greater the difference between the thermal conductivity of the carrier gas and the analyte gas, the greater the sensitivity of the detector. The CHN828 supports either the use of Helium or Argon as the instrument's carrier gas. When used as a carrier gas, Helium provides the highest sensitivity, and the best performance at the lower limit of the Nitrogen range. Argon can also be used as a carrier gas. However, the thermal conductivity difference between Argon and Nitrogen is not as great as the thermal conductivity difference between Helium and Nitrogen, therefore the detector is inherently less sensitive when using Argon as a carrier gas.&nbsp;<h4>TYPICAL RESULTS&nbsp;</h4>Data was generated utilizing a linear, full regression calibration for Carbon determination, and linear, force through origin calibrations for Hydrogen and Nitrogen determination, using fractional masses (~0.07 g to ~0.15 g) of 502-642 (Lot 1019) LCRM Phenylalanine (65.47% C, 6.74% H, 8.46% N). The calibration was verified using LECO 502-896 (Lot 1003) LCRM EDTA (41.08% C, 5.52% H, 9.58% N). An atmospheric blank was determined using ground sucrose and was utilized to compensate for entrapped atmosphere. A moisture value for the samples was obtained utilizing a LECO TGM800 on the day of analysis and entered into the software to correct for moisture. Results are reported on a dry basis.<h3>2. Shimadzu: Ultrasonic Fatigue Test for Hourglass-shaped Metal Test Specimens with Parallel Sections</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00889_en_6ce0f2e7e9.pdf">Full PDF for download</a></li></ul><h4>User Benefits</h4><ul><li>The ultrasonic fatigue tester is capable of testing at a repetition rate of 20 kHz and can complete tests with 109 cycles (1 billion cycles) in only about 14 hours.</li><li>It is possible to test hourglass-shaped test specimens with parallel sections specified in the Chinese National Standard GB/T 43896 “Metallic materials-Very high cycle fatigue-Ultrasonic fatigue test method.”&nbsp;</li></ul>Fatigue is a fracture phenomenon caused by repeated loads, even within the elastic region. It is said that about 70 % of structural fracture phenomena are caused by metal fatigue. For most structural steels, there is a fatigue limit where fatigue failure does not occur even after repeated loading if the stress is less than a certain value, and the number of cycles is about 106 to 107. However, in high-strength steels such as chromium molybdenum steel, it is known that fatigue failure occurs in the ultra-high cycle range of 108 to 109 cycles, exceeding 107 cycles, due to inclusions in the material. Therefore, the standard of 107 repetitions as the maximum number of repetitions used in general fatigue tests is not sufficient, and fatigue tests with more than 109 cycles are required. On the other hand, a fatigue test with more than 109 cycles would take more than 3 years at a 10 Hz load. The ultrasonic fatigue tester used in this study is capable of testing at 20 kHz and can complete tests with 109 cycles in about 14 hours, making it ideal for measuring ultra-high cycle fatigue.&nbsp;In previous reports1,2), we conducted tests on standard hourglass specimens. In November 2024, the National Standard GB/T 43896 of the People's Republic of China (Metallic materials- Very high cycle fatigue-Ultrasonic fatigue test method) was issued, so Shimadzu has added a new dimension calculation function for hourglass-shaped specimens with parallel sections to its USF2000A dedicated software, Super Sonic. In this paper, we introduce an example of measurement of an hourglass-shaped specimen with a parallel section in compliance with GB/T 43896 using SNCM439, a type ofstructuralsteel.<h4>Instruments&nbsp;</h4>The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=USF-2000A">USF-2000A</a> was used in this test. Table 1 shows the testing equipment and Fig. 1 shows the test setup. In the ultrasonic fatigue test, a longitudinal wave vibration generated by a piezo actuator causes the specimen to resonate, and stresses are applied to the specimen. The cyclic stress is not measured using a load cell, but is calculated based on the displacement of specimen's end face. In this test, an eddy current displacement meter was used to measure the displacement of the end face.&nbsp;In the ultrasonic fatigue test, internal heat generation occurs due to the high repetition rate. According to GB/T 43896, the surface temperature of the high-stress part of specimen is measured, and the specimen temperature during the test is required to be within room temperature +10 °C. In order to suppress the temperature rise of the specimen, an air cooler was employed to blow cooling air onto the heated region, and intermittent operation was performed as described below.<h4>Conclusion&nbsp;</h4>In these tests, ultrasonic fatigue tests were conducted on SNCM439 hourglass-shaped specimens with a parallel section in accordance with the Chinese National Standard GB/T 43896, “Metallic materials-Very high cycle fatigue-Ultrasonic fatigue test method,” and S-N diagrams were obtained.<h3>3. Thermo Fisher Scientific: Benefits of coupling a high-speed laser ablation system to Quadrupole Inductively Coupled Plasma Mass Spectrometry (ICP-MS)</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_12348_high_speed_laser_ablation_system_po12348_en_9c310f2096.pdf">Full PDF for download</a></li></ul>Laser Ablation (LA) coupled with ICP-MS is a well-established way to directly analyze solid samples. The main advantages of laser ablation include the ability to avoid lengthy and potentially contamination prone sample preparation protocols and the ability to obtain information about the spatial resolution of an analyte in a sample.&nbsp;The interest in so-called mapping techniques has increased in recent years, calling for laser ablation systems to develop methods to improve sample transfer and therefore speed of mapping experiments. New laser-ablation systems dedicated to high-speed mapping are commercially available and can be easily coupled to quadrupole ICP-MS for such applications.With the improvement in sample transfer and washout times from laser ablation systems, the time available to analyze discrete packets of sample from a laser pulse is drastically reduced. The limit for lateral resolution using a sequential ICP-MS, such as a quadrupole ICP-MS, is dependent on the dwell times chosen for each measured m/z channel. This has a direct impact on the signal-tobackground ratio achievable for each m/z channel; therefore, a direct impact on the final image contrast for each mapped m/z channel.<h4>MATERIALS AND METHODS</h4><h5>Instrumentation&nbsp;</h5>A Teledyne Photon Machines Iridia Laser Ablation System fitted with a Cobalt lowdispersion ablation chamber was directly coupled with a <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1206">Thermo Scientific™ iCAP™ TQ ICP-MS</a>. Data was acquired using <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489">Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution™ (ISDS) Software</a> and processed using Teledyne Photon Machines HDIP Mass Spectrometry Data Analysis Software.<h4>CONCLUSIONS&nbsp;</h4>Through careful optimization of laser ablation and ICP-MS parameters, it is possible to generate high quality multi-elemental images at a fast rate. The use of new low-dispersion laser ablation cells and aerosol transfer technology is not limited to simultaneous mass spectrometers and is also applicable to sequential scanning mass spectrometers such as Quadrupole ICP-MS.&nbsp;The major limitation of coupling low-dispersion Laser Ablation systems to sequential mass spectrometers is the limited number of elements that can be scanned; however, this is offset by the sensitivity and the specificity of, especially, triple quadrupole ICP-MS systems for the reduction of interferences on select analytes.&nbsp;Most imaging experiments can be reduced to three or four analytes of interest, and in these cases LA-ICP-MS coupled to Triple Quadrupole ICP-MS using a low-dispersion, fast imaging setup can provide the analytical data quality required to answer challenging research questions.

News from LabRulezICPMS Library - Week 45, 2025

In the week from November 10, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry<blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a></h4>👉 Search and filter in the largest global database with over 5 000 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Thermo Fisher Scientific: Explore Damage-Free XPS Depth Profiling with the Hypulse Surface Analysis System</h5><ul><li>Tu, 11.11.2025 14:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5645">Registration</a></li></ul>Discover the Hypulse System for advanced, non-destructive XPS depth profiling—enhancing accuracy and preserving sample integrity in surface analysis.<h5>2. PerkinElmer: Thermal &amp; IR Studies Advancing Biofuel Production &amp; Performance</h5><ul><li>Tu, 11.11.2025 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5673">Registration</a></li></ul>Explore how TGA, DSC, and IR techniques improve biofuel quality testing—from decomposition to freezing point analysis—for advanced SAF and bio-based fuels.<h5>3. Bruker: Advancing Battery Research with Benchtop NMR and EPR</h5><ul><li>Tu, 11.11.2025 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5515">Registration</a></li></ul>Learn how benchtop NMR and EPR support studies of electrolytes, electrodes, and redox systems, enabling deeper insight into next-generation battery materials.<h5>4. Anton Paar: Connecting Structure with Function – Flow Chemisorption with Mass Spectrometry on MOFs and Zeolites</h5><ul><li>Tu, 11.11.2025 19:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5611">Registration</a></li></ul>Uncover how chemisorption, mass spectrometry, and micropore analysis reveal structure–function relationships in MOFs and zeolites for catalytic applications.<h5>5. Agilent Technologies: The Benefits of a Fully Integrated Advanced Dilution System (ADS) for ICP-OES</h5><ul><li>Tu, 11.11.2025 21:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3911">Registration</a></li></ul>Automate your ICP-OES workflow with Agilent’s ADS system—eliminate manual dilutions, reduce errors, and increase analytical throughput.<h5>6. Bruker: T-AERO – A Complete Solution for Sampling Airborne Particulate Matter</h5><ul><li>We, 12.11.2025 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5659">Registration</a></li></ul>Discover Bruker’s T-AERO, a system for collecting and analyzing airborne particulate fractions to study toxic elemental composition and environmental exposure.<h5>7. Shimadzu Corporation: Elemental Analysis Made Easy – Innovative Solutions for Food &amp; Environmental Testing</h5><ul><li>Th, 13.11.2025 08:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5664">Registration</a></li></ul>Join Shimadzu’s Digital Classroom to explore EDXRF, ICPMS, and LC-ICPMS solutions for fast, accurate, and reliable elemental analysis.<h5>8. Metrohm: Through-Container Raman for Chemicals, Raw Materials, and Field Response</h5><ul><li>Th, 13.11.2025 15:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5665">Registration</a></li></ul>Learn how through-container Raman spectroscopy enables chemical identification through opaque containers—improving safety and efficiency in field and lab work.<h5>9. Milestone: Take Control of Your Blanks in Elemental Analysis – Practical Strategies to Minimize Contamination</h5><ul><li>Th, 13.11.2025 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5663">Registration</a></li></ul>Gain practical insights on minimizing contamination and blank levels in elemental analysis through smart lab techniques and optimized workflows.<h5>10. Thermo Fisher Scientific: New Twin-Screw Extrusion – Powering the Next Generation of Battery Manufacturing</h5><ul><li>Th, 13.11.2025 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5674">Registration</a></li></ul>Discover how twin-screw extrusion transforms battery material production with enhanced uniformity, scalability, and process control.<h5>11. SPECTRO Analytical Instruments: Advanced ICP-OES Analysis of Plating Baths – Precision, Sensitivity, and Robust Process Control</h5><ul><li>Th, 13.11.2025 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5662">Registration</a></li></ul>Learn how SPECTROGREEN ICP-OES with DSOI technology delivers precise, matrix-tolerant elemental analysis in challenging plating baths.<h5>12. Wiley: Utilizing Imaging Flow Cytometry to Empower Studies of Erythropoiesis</h5><ul><li>Th, 13.11.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5639">Registration</a></li></ul>Explore how imaging flow cytometry integrates microscopy and flow cytometry to study erythropoiesis at the single-cell level.

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