<p><strong>In the week from August 25, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Agilent Technologies: How Critical is Spectral Range to Identification of Microplastics?</strong></h5><ul><li>Tu, 26.8.2025 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5046">Registration</a></li></ul><p>Learn about the impact of narrowing the IR spectral range from 4,000–650 cm⁻¹ to 1,800–975 cm⁻¹ on the identification of microplastics using three different IR microscopic techniques.</p><h5><strong>2. SelectScience: Next-gen 4D-STEM and quantitative imaging with Timepix4</strong></h5><ul><li>We, 27.8.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5408">Registration</a></li></ul><p>Discover how ultrafast Timepix4 detectors revolutionize 4D-STEM, enabling precise electric field mapping, charge density analysis, and ptychographic imaging.</p><h5><strong>3. Mettler-Toledo: Thermogravimetric Analysis (TGA)</strong></h5><ul><li>Th, 28.8.2025 08:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4744">Registration</a></li></ul><p>Learn TGA basics, discover DSC as a complementary technique, and explore diverse industry applications in this webinar.</p><h5><strong>4. AZoM: From Material Quality to Measurement: Proven Solutions for Lithium-Ion Battery Manufacturing Excellence</strong></h5><ul><li>Th, 28.8.2025 09:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5353">Registration</a></li></ul><p>Discover how quality mindset, precise measurements, and advanced tools drive excellence in Li-ion battery manufacturing in this two-part webinar with Pluskey and Shimadzu experts.</p><h5><strong>5. Agilent Technologies: Simplified Measurement of Content Distribution of Pharma Tablets</strong></h5><ul><li>Th, 28.8.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3905">Registration</a></li></ul><p>In this session, imaging of pharmaceutical ingredients in tablets will be discussed.</p>

Webinars LabRulezICPMS Week 35/2025

PAH Induction upon Pyrolysis of Hydroxyl-Terminated Polybutadiene-Based Solid Rocket Fuels

General Screening and Multiple Dissociation Methods for Complementary LC–MS Analysis of Pesticides in Beverages: Potential and Pitfalls

<p><strong>A method for fast determination of hydrogen isotope ratios in aqueous solutions was developed using Fourier transform infrared (FTIR) spectroscopy. By analyzing the bending vibrations of water molecules, isotopic mixtures of H2O and D2O (0–100% D2O) were examined under various conditions to evaluate stability, repeatability, and accuracy.</strong></p><p>The results showed strong agreement with simulated equilibrium constants (average deviation ~1%) when accounting for HDO formation. The high sensitivity of molecular bending vibrations (~0.5%) confirmed FTIR spectroscopy as a reliable, rapid assay technique for distinguishing isotopic variations in water, offering an accurate approach for assessing hydrogen isotope composition.</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.5c01180"><strong>Rapid Identification of Hydrogen Isotopes in Water Mixtures by FTIR Spectroscopy</strong></a></h4><p>Dankun Yang, Norbert Wegrzynowski, Alicja Szczepanska, David Oliver, Keith R. Hallam, and Thomas B. Scott*</p><p>ACS Omega 2025, 10, 24, 25801–25809</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c01180">https://doi.org/10.1021/acsomega.5c01180</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>Detection of protium (H) and its heavier isotopes (deuterium (D) and tritium (T)) is required in biological analysis, <a href="javascript:void(0);">(1−3)</a> the nuclear industry, <a href="javascript:void(0);">(4−7)</a> and other isotopic applications <a href="javascript:void(0);">(8−10)</a> routinely. One of the essential reasons for isotopic detection in these areas is to ensure that the deuterium or tritium content in the required sample or solution is quantitatively under control. This is especially so not only for CANDU reactors, which build up T<sub>2</sub>O in the moderator (D<sub>2</sub>O) after a certain period of operation <a href="javascript:void(0);">(11,12)</a> but also for potential fusion fuel storage (D/T mixtures) and waste processing in fusion power plants. <a href="javascript:void(0);">(13−16)</a> This specific requirement of determining the relative abundance of mixed hydrogen isotopes can be achieved by infrared (IR) spectroscopy. Fourier transform infrared (FTIR) spectroscopy identifies the isotopic bonds based on the difference in adsorption wavelength of the vibrational motions. Assuming atoms in the molecules are under harmonic oscillation, the IR adsorption wavenumber of the congeneric chemical bond highly depends on the mass of the atoms comprising the bond, which leads to distinguishable responses between protium, deuterium, and tritium bonds in the compounds. <a href="javascript:void(0);">(17−19)</a> Profiting from that, IR spectroscopy has been applied for deuterium detection in aqueous solutions for decades, particularly for identifying D<sub>2</sub>O in H<sub>2</sub>O solutions. <a href="javascript:void(0);">(20−23)</a> Two different vibrations can be detected and used to determine the isotopic concentration by IR analysis for the H<sub>2</sub>O/D<sub>2</sub>O mixtures: asymmetric stretching of the O–H (3750 cm<sup>–1</sup> – 2750 cm<sup>–1</sup>)/the O–D (2750 cm<sup>–1</sup>–2000 cm<sup>–1</sup>) and bending (scissoring) of the H–O–H (1850 cm<sup>–1</sup>–1500 cm<sup>–1</sup>)/D–O–D (1250 cm<sup>–1</sup>–1000 cm<sup>–1</sup>)/H–O–D (1500 cm<sup>–1</sup>–1250 cm<sup>–1</sup>). <a href="javascript:void(0);">(19,24−26)</a></p><p>Recently, it was noted that using the only bending motion of the water molecules with sharper responses than that of the stretching motions can lead to more accurate results in determining H<sub>2</sub>O/D<sub>2</sub>O compositions as compared to using the stretching motions which sometimes can saturate beyond the maximum limit of detection. <a href="javascript:void(0);">(27−30)</a> However, research into quantitative analysis and simulation of the isotopic composition in H<sub>2</sub>O/D<sub>2</sub>O mixtures using bending motions in FTIR spectroscopy is still limited. Here, we introduce a rapid analytical method for identifying the isotopic composition of isotopically mixed water based on the measurement of the relative intensity of the bending peaks from the absorbance mode of FTIR spectroscopy. The intensities of the adsorption bands in the IR spectrum are determined by the absorbability of the bond, the pathway of IR, and the concentration of the bond in the tested sample. Absorbability is also known as the absolute measure of IR absorbance intensities of the band, while the maximum absorbability can be regarded as the concentration of the specific vibration in the sample. <a href="javascript:void(0);">(31−34)</a> By applying our method, we can simplify the operation and calculation process for determining the isotopic concentration in an H<sub>2</sub>O/D<sub>2</sub>O mixture, thereby offering a rapid means of measuring isotopic change after accounting for the equilibrium kinetics <a href="javascript:void(0);">(23)</a> of hydrogen bonds in the aqueous solution with better accuracy compared to peak-area. <a href="javascript:void(0);">(19,26,28)</a></p><p>Here, we will demonstrate how data generated from FTIR spectroscopy show excellent agreement with theoretical calculations of isotopic concentrations in water mixtures under equilibrium conditions, proving that using the maximum intensity of the different bending vibrations can offer a reliable measurement for the isotopic concentration and sensitivity in detecting isotopic variation.</p><h4><strong>Experimental Methods</strong></h4><h5><strong>Fourier Transform Infrared Spectroscopy</strong></h5><p>The FTIR spectrometer used in the experiments was a <strong>mid-IR spectrometer </strong>(4000 cm<sup>–1</sup>–400 cm<sup>–1</sup>; <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=4&amp;search=Spectrum+Two+FT-NIR"><strong>Spectrum Two</strong></a>, PerkinElmer, USA). The molar absorptivity of H<sub>2</sub>O and D<sub>2</sub>O undergoing bending motion is 21.8 ± 0.3 M<sup>–1</sup>cm<sup>–1</sup> and 17.4 ± 0.2 M<sup>–1</sup> cm<sup>–1</sup>, respectively, in the mid-IR range at 25 °C, with an optical cell path length of around 3.6 μm for H<sub>2</sub>O and 4.5 μm for D<sub>2</sub>O. <a href="javascript:void(0);">(35,36)</a></p><p>For each measurement, a background was taken and removed from the sample analysis; the same amount of 0.02 mL samples was dropped on the detection plate to ensure that the solution fully covered the sample detector with enough IR transmitted through the sample. Experiments were duplicated to ensure the accuracy. Each bond’s (like H–O–H, D–O–D, or H–O–D) bending motion offers an identical response in the same IR source, and the environment of the liquid can cause slight shifting in peak position but the influence of the existence of H–O–D on the intensity of H–O–H and D–O–D is regarded as identical since half of the molecule is from H<sub>2</sub>O and rest of them is from D<sub>2</sub>O.</p><p>Spectra were first analyzed using software provided by the FTIR spectrometer supplier (PerkinElmer Spectrum Two), but further data analysis was performed using Origin Lab software. The baselines for the spectra were corrected before normalization and the proportion in 100% D<sub>2</sub>O and 100% H<sub>2</sub>O (0% D<sub>2</sub>O) solution was considered to be 1 and 0, respectively, for subsequent calculations of isotope proportions. By taking pure H<sub>2</sub>O and pure D<sub>2</sub>O as the standard for 100% H<sub>2</sub>O and 0% H<sub>2</sub>O, we can convert the intensity of each H–O–H peak in the series into concentrations and enable comparison of the specific peak H–O–H between the spectra. The proportion calculation for measured HDO was based on the amounts of H<sub>2</sub>O and D<sub>2</sub>O generated from the bending motion of the FTIR spectrum.</p><h4><strong>Results and Discussion</strong></h4><h5><strong>Analysis of Hydrogen Isotope Mixtures in an Organic Environment</strong></h5><p>An investigation of the influence of the solvent environment on the FTIR signal response of hydrogen isotope mixtures was accomplished by adding an organic solvent without free hydrogen or hydroxide groups to the pure water mixture and collecting the equilibrium spectra of the solutions at room temperature. The particular solvent (CD<sub>3</sub>CN) was chosen as it is not considered to be able to react with either D<sub>2</sub>O or H<sub>2</sub>O and is stable at experimental temperatures. By adding the same amount of solvent into the different test solutions, the intensities of the solvent peaks could be controlled. As shown in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c01180#fig4">Figure 4</a>a, the isotopic hydrogen fractions calculated from the peak intensities of the bending vibration still offered high agreement with the theoretical curves. According to the recorded spectra (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c01180#fig4">Figure 4</a>b), the presence of the solvent did not cause an increase in the signal background, especially compared with H<sub>2</sub>O, which potentially reduced the deviation from the theoretical value. Moreover, the location of the vibration peaks from CD<sub>3</sub>CN was not in the measurement range of the bending motions of H<sub>2</sub>O or D<sub>2</sub>O, further reducing any error that adding the solvent may cause. This result suggests that the method can be applied for quantitative analysis of hydrogen isotope ratios in solvent/water mixtures if the solvent has FTIR-observable peak positions suitably distanced from the hydrogen bonds and is stable in aqueous environments.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_24_25801_25809_Figure_4_a_Equilibrium_fraction_of_simulated_and_measured_H2_O_and_D2_O_4135bfde2d.jpg" alt="ACS Omega 2025, 10, 24, 25801–25809: Figure 4. (a) Equilibrium fraction of simulated and measured H2O and D2O. (b) FTIR absorbance of H2O/D2O mixtures with CDCN3 as a standard solvent in terms of the initial concentration of D2O at room temperature." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_24_25801_25809_Figure_4_a_Equilibrium_fraction_of_simulated_and_measured_H2_O_and_D2_O_4135bfde2d.jpg 245w," sizes="100vw" width="1780" height="660"></p><p>To reduce the potential influence caused by the infrared waves penetrating through the sample, ATR-FTIR (attenuated total reflectance-FTIR) <a href="javascript:void(0);">(44)</a> was also applied to the test mixture (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c01180/suppl_file/ao5c01180_si_001.pdf">Figure S5</a>). However, the diamond detector, which is an intrinsic part of the instrument, reduced the signal-to-noise ratio significantly around 2000 cm<sup>–1</sup> influencing the background reading in the spectra. Moreover, limited by the refractive index of the liquid sample, the IR cannot penetrate through the required volume of liquid D<sub>2</sub>O resulting in a misreading of intensities for the stretching peak. Thus, the research presented here has focused solely on standard FTIR analysis for all of the measurements, and we discount ATR-FTIR as being less efficient for the same measurements.</p><h5><strong>Sensitivity of FTIR Analysis for Hydrogen Isotope Verification</strong></h5><p>To determine the sensitivity and limitations of the FTIR technique in detecting proportional variations of H<sub>2</sub>O/D<sub>2</sub>O mixtures, measurement of five different D<sub>2</sub>O/H<sub>2</sub>O mixtures from 43.56%–45.71% D<sub>2</sub>O (with ∼0.5% isotopic increase per solution) was carried out at room temperature. For each mixture, measurements were made in triplicate to ensure accuracy of the generated spectra, as shown in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c01180#fig5">Figure 5</a>.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_24_25801_25809_Figure_5_a_FTIR_spectra_of_43_45_71_D2_O_d35eaf283e.jpg" alt="ACS Omega 2025, 10, 24, 25801–25809: Figure 5. (a) FTIR spectra of 43%–45.71% D2O (43% in black, 43.56% in red, 44.12% in blue, 44.66% in green, 45.19% in purple, 45.71% in orange; * stands for the first duplication experiment in dash line, ** stands for the second duplication with dash-dot line). (b) Emphasized H2O peak (at around 1650 cm–1) of 43%–45.71% D2O. (c) Emphasized D2O peak (at around 1211 cm–1) of 43%–45.71% D2O." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_24_25801_25809_Figure_5_a_FTIR_spectra_of_43_45_71_D2_O_d35eaf283e.jpg 163w," sizes="100vw" width="1314" height="1253"></p><p>The HDO peak shown at 1450 cm<sup>–1</sup> was identical for all solutions from 43.56%–45.71% D<sub>2</sub>O, indicating that the bending motion for HDO was unsuitable for detecting small variations in hydrogen isotope ratios in the liquid mixture, as also proved in the former experiments (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c01180#fig5">Figure 5</a>a). Unlike the HDO bending vibration, the IR peaks associated with the bending motions of the H<sub>2</sub>O and D<sub>2</sub>O molecules resulted in a clear and measurable intensity difference with changes in the D<sub>2</sub>O concentration between samples (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c01180#fig5">Figure 5</a>b,c). Repeat measurements confirm the stability and reliability of using the intensity change in these vibrational peaks to represent the proportional (isotopic density) increase. Using the equilibrium fraction of the 43% D<sub>2</sub>O solution as a reference, equilibrium fractions of the 43.56%–45.71% D<sub>2</sub>O solutions can be calculated (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c01180#tbl3">Table 3</a>) suggesting a good agreement among the measurements. For example, the average calculated equilibrium fractions of D<sub>2</sub>O and H<sub>2</sub>O for 43.56% D<sub>2</sub>O solution were 21.78 ± 0.01% and 33.35 ± 0.04%, respectively.</p><h4><strong>Conclusions</strong></h4><p>In conclusion, FTIR spectroscopy has been demonstrated as an effective technique for determining the ratios of hydrogen isotopes in water mixtures. FTIR results suggested a close agreement of measurements with theoretical analysis based on equilibrium kinetics. The method was proven reliable in estimating the isotopic ratio from 0 °C up to room temperature under different chemical environments with a relatively low standard deviation (average deviation ≤1%), suitable for industrial application. Benefiting from the sensitivity of the H<sub>2</sub>O and D<sub>2</sub>O bending response in FTIR spectroscopy, it is possible to detect small isotopic variations (0.5%) by converting the measured peak intensity change to the fractional ratio of the aqueous solution. This method offers a rapid and practicable way of detecting hydrogen isotopic variations in water mixtures that would be suitable for research and industrial applications that require in situ isotopic determination. For example, FTIR spectroscopy could be applied in situ to a water-based tritium scrubbing plant (i.e., CANDU) to help measure the accumulation rate of T<sub>2</sub>O in cascades of water bubblers.</p>

Rapid Identification of Hydrogen Isotopes in Water Mixtures by FTIR Spectroscopy

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 25th August 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and <strong>Shimadzu!</strong></p><h3><strong>1. Agilent Technologies: A More Sustainable Analysis of Ethylene Oxide and 1,4-Dioxane</strong><br><strong>in Surfactants with Hydrogen Carrier Gas&nbsp;</strong></h3><p><strong>Using an Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977B+GC%2FMSD"><strong>5977B GC/MSD</strong></a><strong> with an Agilent HydroInert Source</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_ethylene_oxide_1_4_dioxane_surfactants_hydrogen_carrier_gas_5994_8335en_agilent_886a988649.pdf"><strong>Full PDF for download</strong></a></li></ul><p>EO and 1,4-dioxane are key industrial chemicals, frequently found in the production of surfactants. During alkoxylation processes, residual raw materials or byproducts, such as EO and 1,4-dioxane, may remain in the final surfactant product (Figure 1). Although manufacturers have made significant strides in reducing these byproducts, increasing regulatory scrutiny on EO and 1,4-dioxane underscores the need for precise analytical methods to detect these compounds at low concentrations.1–4 Thus, there is an urgent need to develop methods that can accurately quantify these compounds at levels as low as 0.1 ppm in consumer products.</p><p>This study presents a method for the detection of EO and 1,4-dioxane using GC/MS with an HS sampler and a HydroInert source for hydrogen carrier gas. The use of hydrogen instead of helium not only addresses the global helium shortage but also ensures excellent sensitivity and linearity, while maintaining the integrity of the analytical process. The HydroInert source further eliminates chemical reactions often associated with hydrogen in mass spectrometry, offering a sustainable and reliable solution. The method developed in this study successfully quantifies both EO and 1,4-dioxane at the low concentrations required by current regulations, offering an accurate, reliable approach for compliance in surfactant manufacturing.</p><h4><strong>Experimental&nbsp;</strong></h4><p>This work was carried out using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7890+GC"><strong>7890 GC</strong></a> with helium carrier gas and an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC"><strong>8890 GC</strong></a> with hydrogen carrier gas. Both GC systems were configured with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977B+GC%2FMSD"><strong>5977B GC/MSD</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3+autosampler"><strong>PAL3 autosampler</strong></a> for headspace sampling. For the analysis using hydrogen carrier gas, the GC/MSD was fitted with a HydroInert source. The HydroInert source produces spectra in hydrogen that closely match those from helium-based libraries, such as NIST. This ensures spectral fidelity, allowing the same quantification and qualifier ions used in helium methods to be applied in SIM and MRM modes with hydrogen. Method parameters are shown in Table 1.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This work establishes a first of its kind method using hydrogen carrier gas to reliably measure ethylene oxide and 1,4-dioxane in surfactants. Mass spectrometry detection was optimized for use with hydrogen by installing an Agilent HydroInert source. The HydroInert source helps to avoid sensitivity loss and spectral anomalies that are common with hydrogen carrier gas applications, resulting in suitable linearity, precision, accuracy, and LOQs for this analysis.</p><h3><strong>2. Shimadzu: How Long Does A Perfume Last on Skin? – Fragrance Analysis by </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050"><strong>GCMS-QP2050</strong></a><strong> and Smart Aroma Database</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_04_ad_0309_en_60c887beed.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User Benefits</strong></h4><ul><li>Achieve highly accurate and reproducible analysis of aroma compounds on human skin, ensuring reliable data for evaluating perfume performance.</li><li>Smart Aroma Database simplifies the qualitative and quantitative analysis process, reducing the time and effort required for data interpretation.</li></ul><p>The duration on how long fragrance lasts on human skin is a critical factor in the development and evaluation of perfumes. Gas Chromatography Mass Spectrometry (GC-MS) is a powerful analytical technique that allows for the detailed analysis of volatile and semi-volatile compounds, making it an ideal tool for studying fragrance. In this application note, a study was performed to examine fragrance on human skin at different durations after applying a perfume. Here, we explore the use of a Monolithic Material Sorptive Extraction (MMSE) MonoTrap, a sorptive extraction device to extract fragrance from human skin, followed by analysis using Shimadzu GCMS-QP2050 (Fig.1). Additionally, Smart Aroma Database was used to simplify the method development.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumental and Analytical Conditions&nbsp;</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050"><strong>GCMS-QP2050</strong></a> (Shimadzu Corporation, Japan) was employed in this work (Fig. 1). The details of the system configuration is shown in Table 1. Sample acquisition was done by following the analytical method from Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Smart+Aroma+Database"><strong>Smart Aroma Database</strong></a>. MonoTrap SG DCC18 was purchased from GL Sciences, Japan (catalog no. 1050-70002).</p><h4><strong>Results &amp; Discussion&nbsp;</strong></h4><h5><strong>Fragrance Compounds Detection&nbsp;</strong></h5><p>The scan total ion chromatogram (TIC) of the diluted perfume sample is shown in Fig. 4. A total of 60 out of the 498 fragrance compounds in Smart Aroma Database were detected. These compounds were then monitored for this study. Fig. 5 shows a few mass chromatograms of the monitored fragrance compounds.</p><h5><strong>On-skin Fragrance Study&nbsp;</strong></h5><p>The on-skin fragrance study was conducted to evaluate the persistence of perfume compounds over time. Sampling was performed at three distinct time points: 15 minutes, 1 hour, and 6 hours after applying the perfume (as described in Fig. 2). Fig. 6 shows the percentage of compounds detected (out of 60 compounds) in these three different time points.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>In this study, we demonstrate the effectiveness of using GCMSQP2050 with Smart Aroma Database and Monotrap adsorbent to analyze the behavior of perfume fragrance on human skin. The result shows decrease percentage of number of compounds detected over time. The peak area of most compounds were reduced as well. Sampling repeatability shows that 57 out of 58 detected aroma compounds exhibiting %RSD values below 20% (n=3).</p>

News from LabRulezGCMS Library - Week 35, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 25th August 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you poster by <strong>Agilent Technologies / ASMS, </strong>brochure by<strong> Shimadzu, </strong>other document by<strong> Thermo Fisher Scientific </strong>and application note by <strong>Waters Corporation!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Highly Sensitive Quantitation of N-Nitroso Timolol Impurity in Timolol API using the Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=6495D+LC%2FTQ"><strong>6495D LC/TQ</strong></a></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_6495d_nitrosamines_asms_2025_mp_548_en_agilent_7c9b0b32ef.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Nitrosamines are of concern as most of them have been reported to be potent mutagens in rodents and are potential carcinogens. Therefore, it is important to control these impurities at or below the stipulated specification limits. API-derived complex nitrosamines are known as nitrosamine drug substance-related impurities (NDSRIs). Multiple recalls of pharmaceutical drug products due to the presence of NDSRIs have drawn the attention of regulators and manufacturers. By considering the complexity of the global pharmaceutical supply chain, manufacturers must be more diligent to protect consumers by screening their APIs and drug products for the presence of NDSRIs. NDSRIs can be formed from both secondary and tertiary amines. Secondary amines can easily undergo nitrosation in the presence of trace amounts of acid. Timolol is beta-blocker class of drug used for hypertension. N-nitroso timolol is an API specific nitrosamine impurity. For most NDSRIs, analytical methods are not yet available, so manufacturers will need to develop, qualify, and validate a method that is suitable for the sample matrix and specific for the nitrosamines in question.</p><p>The analytical method developed must be sensitive enough to quantify the nitrosamines of interest down to a level that corresponds to 10% of specification limit.</p><p>In this poster we highlight a highly specific, sensitive, and reproducible method that was developed for the quantitation of N-nitroso Timolol impurity in Timolol drug substance using the 6495D triple quadrupole LC/MS (LC/TQ) coupled to the 1290 Infinity II LC.</p><h4><strong>Experimental</strong></h4><h5><strong>LC configurations and parameters:</strong></h5><ul><li><strong>Instrument:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=6495D+LC%2FTQ"><strong>Agilent 6495D LC/TQ</strong></a> coupled to <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1290+Infinity+II+LC"><strong>1290 Infinity II LC</strong></a></li><li><strong>Analytical Column: </strong>Agilent Infinity Lab Poroshell PhenylHexyl, 150 × 3.0 mm, 2.7 µm, p/n, 693975-312</li></ul><h4><strong>Conclusions</strong></h4><p>A highly sensitive and robust multiple reaction monitoring (MRM) method was developed utilizing the Agilent 6495D LC/TQ to quantify N-nitroso timolol impurity in timolol API. &nbsp;</p><ul><li>The chromatographic method provided desirable separation between the impurity and the API to avoid interference.&nbsp;</li><li>The developed method demonstrated excellent linearity over the range of 5 to 1500 pg/mL (0.5 to 150 ppb with 100 mg/mL API load) with an R2 value greater than 0.9990&nbsp;</li><li>The LOD and LOQ values achieved were 2 and 5 pg/mL respectively for targeted NDSRI&nbsp;</li><li>The method provided recovery between 90 and 110%, which is within the acceptance criteria</li></ul><h3><strong>2. Shimadzu: Liquid Chromatograph Mass Spectrometer </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8065XE"><strong>LCMS-8065XE&nbsp;</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c146_e500_526bbea8e9.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>Shimadzu LCMS-8065XE: Next-Generation Triple-Quadrupole Performance</strong></h5><p>Shimadzu introduces the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8065XE"><strong>LCMS-8065XE</strong></a>, a triple-quadrupole liquid chromatograph mass spectrometer designed to set new standards in sensitivity, speed, and robustness. Built on Shimadzu’s philosophy of “Contributing to Society Through Science and Technology,” the system integrates advanced hardware with Analytical Intelligence software, ensuring both expert-level optimization and user-friendly operation. This balance of evolved, efficient, and exact capabilities makes the LCMS-8065XE a powerful solution for modern laboratories.</p><h5><strong>Breakthrough Ionization and Detection Technologies</strong></h5><p>At the heart of the system are innovations such as the <strong>StreamFocus ESI probe</strong> and IonFocus technology, which enhance ion intake, reduce gas consumption, and eliminate contamination without compromising sensitivity. Combined with the refined <strong>UFsweeper IV collision cell,</strong> the instrument achieves exceptional signal transmission and robust long-term stability. Demonstrated by ultra-trace PFAS detection at parts-per-trillion levels, the LCMS-8065XE ensures reliable results even under continuous high-throughput conditions.</p><h5><strong>Ultra-Fast Mass Spectrometry with UF Technologies</strong></h5><p>Shimadzu’s proprietary UF technologies—including UF-Qarray II, UF-Lens II, and UF-MRM—deliver unmatched speed and sensitivity. Capable of 5 msec polarity switching, up to 555 MRM channels per second, and scanning at 30,000 u/sec, the system supports complex multi-component analyses with precision. Intelligent maintenance features, such as quick desolvation line replacement without breaking vacuum, further minimize downtime and maximize laboratory productivity.</p><h5><strong>Smart Software, Sustainability, and Seamless Integration</strong></h5><p>The LCMS-8065XE is complemented by Peakintelligence AI algorithms, LabSolutions Connect MRM, and LabSolutions Insight, enabling automated tuning, optimized methods, and reliable peak integration with reduced manual review time. Sustainability is also central: ecology mode reduces power consumption by up to 31%, while integration with Shimadzu’s Nexera UHPLC system improves throughput and reduces resource use. Features like FlowPilot smart flow control and automatic bubble detection ensure uninterrupted performance, extending system and column lifetimes while cutting operational costs.</p><h3><strong>3. Thermo Fisher Scientific: Accucore columns Resolve all your impurities without feeling the pressure</strong></h3><ul><li>Other document</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/fl_002099_ccs_lc_columns_accucore_C18_HILIC_phenyl_fl002099_na_en_db7abbabd7.pdf"><strong>Full PDF for download</strong></a></li></ul><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=48&amp;manufacturerItems=3&amp;search=accucore"><strong>Thermo Scientific™ Accucore™ columns</strong> </a>bring UHPLC-level performance to both HPLC and UHPLC systems, even when pressure capabilities are limited. With <strong>14 distinct chemistries</strong>, they provide an extensive toolbox for successful method development and robust method transfer. Built on decades of innovation in stationary phase design, Accucore columns ensure reliable performance across diverse analytical challenges.</p><h5><strong>Comprehensive Chemistry Portfolio for Any Separation Need</strong></h5><p>The Accucore family includes multiple column chemistries tailored to different selectivity requirements. <strong>Hydrophobic options like </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/427"><strong>C18</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/428"><strong>C8</strong></a><strong>, and </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1990"><strong>C4</strong></a><strong> </strong>deliver classic reversed-phase separations, while <strong>polar-modified C18</strong> (<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/430"><strong>Polar Premium</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/429"><strong>aQ</strong></a>) enhances retention of acidic and basic compounds. <strong>Phenyl-based phases</strong> such as <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/424"><strong>Biphenyl</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/431"><strong>Phenyl-Hexyl</strong></a><strong>, and </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1985"><strong>PFP</strong></a> provide orthogonal selectivity for aromatic and polar analytes, and <strong>specialty hydrophobic columns (</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/426"><strong>RP-MS</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1988"><strong>C30</strong></a>) expand capabilities for structural isomer separation. For highly polar compounds, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1987"><strong>HILIC</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1989"><strong>Amide-HILIC</strong></a> chemistries enable reliable retention and resolution.</p><h5><strong>Optimized for Speed, Sensitivity, and Versatility</strong></h5><p>Engineered with advanced particle design, Accucore columns offer rapid separations with high resolution and reproducibility. Their versatility makes them suitable for a wide range of applications, from pharmaceutical impurity profiling to food and environmental analysis. By offering both routine and specialty phases, the columns allow analysts to fine-tune selectivity and maximize productivity without compromising robustness.</p><h5><strong>Trusted Innovation and Seamless Integration</strong></h5><p>As part of Thermo Fisher Scientific’s portfolio, Accucore columns are backed by extensive expertise in HPLC method development and transfer. Their design supports high-throughput workflows, smooth integration into existing systems, and consistent results across laboratories. Whether the need is for routine testing or complex separations, Accucore columns deliver dependable performance with the flexibility to resolve impurities efficiently and confidently.</p><h3><strong>4. Waters Corporation: Temperature Control Using Waters LC Purification Systems with Timberline's Column and Mobile Phase Heaters: Optimizing Preparative Performance&nbsp;</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008874_en_6514d1a04e.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Benefits&nbsp;</strong></h4><ul><li>Minimizing method redevelopment at the prep scale improves process efficiency and reproducibility, ensuring predictable and reliable outcomes for isolating small and large molecules, such as oligonucleotides and peptides.&nbsp;</li><li>Elevated temperature reduces system backpressure and enables one to consider using of sub-5 µm <strong>Waters™ preparative Optimum Bed Density (OBD™) columns </strong>to increase productivity through faster separations, increased loading capacity, lower solvent consumption, shorter fraction dry-down times, and reduced waste disposal costs.&nbsp;</li><li>Enabling the substitution of acetonitrile with methanol provides a more environmentally sustainable and economically efficient purification process.</li></ul><p>Although temperature control is widely implemented in analytical HPLC to improve separations and ensure consistent and reliable outcomes, temperature is seldom controlled or used as a parameter for manipulating chromatography at the preparative scale for two reasons. First, high flow rate separations occur at the temperature of the incoming solvent and efficient heating of the mobile phase entering the column is challenging at these high flow rates. Second, large diameter columns cannot be effectively heated from the outside simply by using insulation, heated blankets or ovens. Ideally, analytical separations developed with temperature control should be scaled to prep at the same temperature to eliminate variability in the chromatography which can make the target identification and isolation ambiguous or lead to product loss.&nbsp;</p><p>When used with the Waters AutoPurification System, Timberline’s column and mobile phase heaters provide precise and consistent temperature control for preparative separations, allowing easier scale-up from UPLC/UHPLC to preparative methods. This integrated approach minimizes the need for method redevelopment, improves reproducibility, enhances hydrophobic compound solubility and boosts operational efficiency, which is particularly valuable in small molecule isolations and biological applications such as oligonucleotide and peptide purification. Temperature control also enhances flexibility in purification workflows, supporting green chemistry initiatives by enabling the substitution of acetonitrile with methanol. Elevated temperature reduces system backpressure, allowing the usage of sub-5 µm particles in larger-dimension preparative columns (e.g., 10 mm ID), which may increase loading capacity, minimize run-times, reduce solvent consumption, shorten dry-down times and lower waste disposal costs. This technical brief illustrates that comparable purification results can be achieved using methanol with sub-5 µm 10 mm ID columns, an approach that is both environmentally sustainable and economically viable. It also illustrates the precision and stability of temperature control across various flow rates and mobile phase compositions, showcasing the reliability of this solution.</p><h4><strong>Conclusion&nbsp;</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=5&amp;search=Timberline%E2%80%99s+TL-105+D+column"><strong>Timberline’s TL-105 D column</strong></a> oven configured with the Waters AutoPurification System provides precise and consistent temperature control when scaling from analytical to preparative methods. This significantly reduces the need for method redevelopment at the prep scale, enhances chromatographic efficiency and reproducibility and delivers predictable and reliable outcomes for various applications including small and large molecules such as oligonucleotides and peptides isolations.</p><p>This combined solution supports the growing demand for green chemistry by enabling the substitution of acetonitrile with methanol. Enhanced temperature control also lowers system backpressure, allowing the use of smaller particle size, larger dimension Waters preparative OBD columns. This results in faster separations, increased loading capacity, reduced solvent consumption, shorter fraction dry-down times, and lower waste disposal costs. These benefits contribute to a more environmentally sustainable and economically efficient purification process.</p>

News from LabRulezLCMS Library - Week 35, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 25th August 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, Metrohm </strong>and <strong>Shimadzu</strong> and<strong> </strong>poster by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Low-Level UV-Vis Haze Detection for Improved Reliability of Li-Ion Battery Electrolytes &nbsp;</strong></h3><p><strong>Overcoming quality control blind spots with the </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+60+UV-Vis"><strong>Cary 60 UV-Vis</strong></a><strong> and the diffuse reflectance accessory (DRA)</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_electrolyte_haze_cary_60_uv_vis_dra_5994_8446en_agilent_2f171821a2.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Lithium-ion batteries (LIBs) have become indispensable in modern life, powering everything from portable electronics to electric vehicles. As demand grows for higher-capacity, longer-lasting, and more efficient batteries, research efforts continue to focus on optimizing every component, including the electrolyte.&nbsp;</p><p>The electrolyte plays a critical role in battery performance by enabling the transport of ions between the two electrodes. It typically consists of a lithium salt, most commonly lithium hexafluorophosphate (LiPF6 ), dissolved in a mixture of organic carbonate solvents such as ethylene carbonate (EC), ethyl methyl carbonate (EMC), and dimethyl carbonate (DMC). However, these electrolyte formulations are highly sensitive to moisture and prone to degradation over time. This degradation can lead to the formation of particulate matter or impurities that are invisible to the naked eye but can significantly impact electrolyte quality during manufacturing.&nbsp;</p><p>In this application note, we explore how the Agilent Cary 60 UV-Vis spectrophotometer, paired with an Agilent Cary 60 diffuse reflectance accessory (DRA), can be used to assess LIB electrolyte quality.&nbsp;</p><p>Traditional UV-Vis transmission compartments can struggle with low-scattering samples like electrolytes, as scattered light may bypass the detector and lead to inaccurate readings. The Cary 60 DRA mitigates this limitation by enhancing light collection efficiency, making it well-suited for low-level haze&nbsp;analysis.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><p>Diffuse transmission spectra and haze measurements were collected using the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+60+UV-Vis"><strong>Agilent Cary 60 UV-Vis spectrophotometer </strong></a>controlled by the Agilent <strong>Cary WinUV Color software</strong>. The software allows users to select from a range of calculation options, including standardized color coordinate systems such as those defined by the Commission Internationale de l’Eclairage (CIE).&nbsp;</p><p>For this application, the "Haze as per D1003" calculation mode was selected, which requires four individual scans to be performed using the DRA integrating sphere.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This study demonstrated the effectiveness of the Agilent Cary 60 UV-Vis equipped with a diffuse reflectance accessory (DRA) for assessing the quality of LIB electrolytes through haze measurements. The innovative method enabled the detection of particulates and early signs of degradation that are not visible to the naked eye, but can significantly impact battery performance, safety, and lifespan. Haze levels of the solutions increased notably with storage time and exposure to air, confirming the instrument's sensitivity to moisture‑induced changes in electrolyte composition. Measuring low-scattering samples in a standard UV‑Vis transmission compartment can be difficult because scattered light may miss the detector, causing inaccurate measurements. The Cary 60 DRA improves light collection efficiency, making it ideal for low-level haze analysis. As the integrating sphere collects all scattered light, this technique monitors minor changes in electrolyte condition, which is useful for assessing samples stored or transported under different environmental conditions. With the added advantage of automated calculations and reporting through the Agilent Cary WinUV Color software, the method offers a reliable, user-friendly solution for quality control in LIB electrolyte manufacturing and storage. The Cary 60 UV-Vis method helps manufacturers make informed decisions about handling and using electrolytes, ultimately supporting the production of safer, higher‑performing batteries.</p><h3><strong>2. Metrohm: Determination of olive oil quality parameters and adulteration with NIR spectroscopy&nbsp;</strong></h3><p><strong>Near-infrared spectroscopy reduces costs and chemical waste</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_125_download_be04b478c5.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Olive oil quality depends on many factors, such as time spent processing olives after harvest, the production process itself, and olive variety. Due to its high price, virgin olive oil in particular is one of the most vulnerable vegetable oils for food fraud. Many parameters are used to determine the oil quality including the iodine value, free fatty acids (FFA), refractive index, fatty acid composition, and aging indicators such as peroxide value (PV), K232, and induction time. Traditional analysis techniques for olive oil testing like titration or gas chromatography (GC) often require hazardous solvents which can pose health risks and increase laboratory costs. In contrast to these standard methods, the analysis with nearinfrared spectroscopy (NIRS) helps to increase productivity and reduce costs, providing quick results for olive oil quality control</p><h4><strong>EXPERIMENTAL EQUIPMENT&nbsp;</strong></h4><p>A selection of olive oils with varying quality (137 samples) were measured on the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=220&amp;search=OMNIS+NIR"><strong>OMNIS NIR</strong></a> Analyzer Liquid (Figure 1) in transmission mode (1000–2250 nm) using 8 mm disposable vials. The vial temperature was set and monitored at 40 °C with the built-in vial sensor to ensure consistent measurement performance. The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=220&amp;search=OMNIS+software"><strong>OMNIS software</strong></a> was used for all data acquisition and prediction model development.</p><h4><strong>CONCLUSION</strong></h4><p>This Application Note displays the positive attributes of olive oil analysis with near-infrared spectroscopy. Compared to time-consuming conventional analytical methods, measurements performed with NIRS do not need any sample preparation. This ultimately leads to a workload reduction (Table 3) and reduced costs. Aside from the parameters shown in this Application Note, additional olive oil quality parameters like sterol content or moisture content can also be determined with NIRS.</p><h3><strong>3. Shimadzu: Evaluation of the Temperature Dependency of Tensile Strength of Electrode Materials for Lithium- Ion Batteries&nbsp;</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_00926_en_68e36051d4.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>A thermostatic chamber makes it possible to measure the tensile strength in actual temperature environments.&nbsp;</li><li>Pneumatic flat grips for foil make it possible to reduce the variation in grip force and stabilizing test conditions.&nbsp;</li><li>By using a load cell with a wider accuracy guarantee range than a conventional one, it is possible to perform high-accuracy tests even with a small test force</li></ul><p>Lithium-ion batteries play an important role in various electronic devices due to their high energy density and excellent charging efficiency. To improve battery performance, battery materials and processing methods are actively being developed. One of the evaluation methods for mechanical properties is strength measurement. The metal (current collector) used in the electrodes of lithium-ion batteries is subjected to tensile force during the manufacturing process. Evaluation of temperature dependence is required because the metal is also subjected to heat during manufacturing. This Application News introduces a workflow consisting of tensile strength evaluation of metal foil used as lithium-ion battery electrodes. The tests were performed under various temperatures to evaluate the temperature dependence of tensile strength. The apparatus used is also described.</p><h4><strong>Apparatus&nbsp;</strong></h4><p>Table 1 shows test apparatus configuration. In this experiment, Precision <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=AGS+-V"><strong>Universal Testing Machine AGS -V</strong></a> was used and pneumatic flat grips for foil were mounted on it. These grips reduce the swing of the grip faces and their surfaces are processed into special shapes. This reduces the risk of fracture of the specimen at the clamped portion when testing a foil specimen. These pneumatic grips make it possible to mount specimens and to make the gripping force constant for each test. To adjust the temperature of the test space, the Compact-type <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=TCE-N300A"><strong>Thermostatic Chamber TCE-N300A</strong></a> was used. It can be operated by the testing machines operation software <strong>TRAPEZIUM X-V</strong>. This software can control both the chamber and the testing machine in the same display. This function improves the system convenience.</p><h4><strong>Conclusion</strong></h4><p><span>&nbsp;</span>Tensile tests using the AGS-V were conducted on three kinds of metal foil used as electrodes in lithium-ion batteries in the thermostatic chamber TCE-N300A. The test results show that the strength tended to decrease with increasing the temperature in all materials. The elongation at failure tended to increase at 180 °C for C1100 and at 100 °C and 180 °C for A1N30 and A1070.&nbsp;</p><p>Pneumatic flat grips for foil make it possible to conduct tests without fracture nor slippage of the specimen at the clamped portion.&nbsp;</p><p>This measurement enables the temperature dependence of the mechanical characteristics of metal foil used as electrodes for lithium-ion batteries to be easily obtained. It is expected to be applied to solving problems such as material selection and processing methods for lithium-ion batteries.</p><h3><strong>4. Thermo Fisher Scientific: Inductively Coupled Plasma Mass Spectrometry (ICP-MS) for the Analysis of the Spatial Distribution of Trace Elements in Biological Systems&nbsp;</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_65485_icp_ms_imaging_spatial_distribution_trace_elements_asms2019_po65485_en_138f5f9ad8.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Inductively Coupled Plasma Mass Spectrometry (ICP-MS) is widely recognized as a powerful technique for the determination of trace elements in a variety of sample types. It is able to directly and quantitatively assess the amount of an element (e.g. toxic elements such as As or Hg, but also essential elements such as Cu, Zn, or Se). In some cases, not only the concentration, but also the lateral distribution can provide important information when investigating biological systems. Laser ablation imaging is becoming a well-established tool to visualize both naturally occurring and artificially introduced trace elements; however, there are challenges to overcome in order to achieve high lateral resolution and image contrast.</p><h4><strong>MATERIALS AND METHODS</strong></h4><h5><strong>Test Method&nbsp;</strong></h5><p>For the analysis, a Teledyne CETAC Technologies LSX-213 G2+ laser ablation system was coupled to a <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1206"><strong>Thermo Scientific™ iCAP™ TQ ICP-MS.</strong></a> The iCAP TQ ICP-MS was configured with a high sensitivity interface (Table 1) to ensure the detection of analytes even in low concentrations and small amounts of ablated sample. Prior to the measurements, all plasma and interface related settings were tuned automatically and were fully tailored to the LA-based sample introduction by using the autotune procedures provided in the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489"><strong>Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution (ISDS) Software.</strong></a></p><h5><strong>Data Analysis&nbsp;</strong></h5><p>Both devices (laser ablation system mass spectrometer) were controlled using the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489"><strong>Qtegra ISDS Software</strong></a>. Through the use of dedicated plug-ins, full synchronization of data acquisition, allowing unattended routine operation for overnight runs, was possible. Data acquisition was accomplished using the tQuant virtual evaluation of the <strong>Qtegra ISDS Software</strong>. Data reduction and image construction were accomplished using self-developed software</p><h4><strong>What is Elemental Imaging?&nbsp;</strong></h4><p>Elemental images or maps refer to an LA-ICP-MS analysis that provides information on the elemental distribution across a two-dimensional area of a sample, for example across the surface of a biological tissue section. As the laser is fired at the sample surface, the sample is moved at a defined and constant rate. This means that the time profile of a line scan can be translated into a distance profile. Gathering multiple profiles across the sample generates a 2D image of the elemental distribution in the sample (3D after moving the laser sampling point in the vertical axis), where signal intensity is directly proportional to concentration.</p><h4><strong>CONCLUSIONS&nbsp;</strong></h4><ul><li>The LA-ICP-MS system described has been shown to be ideally suited for the high spatial resolution bioimaging analysis of various elements in thin sections in both single and triple quadrupole analysis modes.&nbsp;</li><li>The use of triple quadrupole technology in the iCAP TQ ICP-MS system clearly improves the images produced for analytes such as Ca (through the analysis of 44Ca 16O+ at m/z 60), iron (through the analysis of 56Fe 16O+ at m/z 72) or Se (through the analysis of 80Se 16O+ at m/z 96).&nbsp;</li><li>This also enables a wider dynamic range and cleaner backgrounds to reveal additional structural information not detectable by traditional single quadrupole ICPMS.</li></ul>

News from LabRulezICPMS Library - Week 35, 2025

<p>Professionals working with <strong>laboratory instruments</strong> play a crucial role in maintaining analytical workflows across chemistry, materials science, life sciences, and industrial quality control. These roles span <strong>service engineering</strong>, <strong>application support</strong>, and <strong>commercial development</strong> for instruments such as ion chromatographs, spectrometers (UV-Vis, Raman, FTIR), titrators, and electrochemical analyzers.</p><h4><strong>What Are Laboratory Instruments?</strong></h4><p><strong>Laboratory instruments</strong> include a wide range of analytical tools:</p><ul><li><strong>Liquid Chromatographs (LC, IC)</strong></li><li><strong>Spectrometers (UV-Vis, FTIR, Raman)</strong></li><li><strong>Electrochemical systems (pH, conductivity, voltammetry)</strong></li><li><strong>Gas generators (nitrogen, hydrogen, air)</strong></li><li>These instruments are essential for <strong>chemical analysis</strong>, <strong>material identification</strong>, <strong>sample preparation</strong>, and <strong>quality control</strong>.</li></ul><h3><strong>Job Opportunities in Laboratory Instruments</strong></h3><blockquote><h4><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/career"><strong>Job details in the CAREER section</strong></a></h4><h4><strong>👉Search and filter in the largest database with over 1,000 jobs in analytical chemistry and laboratory technologies.</strong></h4></blockquote><h4><strong>🌏 Asia</strong></h4><h5><strong>1. Metrohm: Service Engineer / Sr. Service Engineer</strong></h5><ul><li>Delhi, India</li><li>Service engineer, LC, UV-Vis, RAMAN, FTIR, Laboratory instruments</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/job/2272"><strong>Job details can be found here</strong></a></li></ul><h5><strong>2. Metrohm: Territory Manager / Asst. Territory Manager</strong></h5><ul><li>Mumbai, India</li><li>Sales Representative, LC, UV-Vis, RAMAN, FTIR, Laboratory instruments</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/job/2271"><strong>Job details can be found here</strong></a></li></ul><h5><strong>3. Metrohm: Business Development Executive / Asst. Territory Manager</strong></h5><ul><li>Pune, India</li><li>Sales Representative, LC, UV-Vis, RAMAN, FTIR, Laboratory instruments</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/job/2270"><strong>Job details can be found here</strong></a></li></ul><h5><strong>4. Metrohm: Asst. Territory Manager</strong></h5><ul><li>Hyderabad, India</li><li>Sales Representative, LC, UV-Vis, RAMAN, FTIR, Laboratory instruments</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/job/2269"><strong>Job details can be found here</strong></a></li></ul><h5><strong>5. Metrohm: Territory Manager</strong></h5><ul><li>Mumbai, India</li><li>Manager, Sales Representative, LC, UV-Vis, RAMAN, FTIR, Laboratory instruments</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/job/2268"><strong>Job details can be found here</strong></a></li></ul><h4><strong>🌍 Europe</strong></h4><h5><strong>6. Metrohm: Support &amp; Application Specialist – Chemical Instrumentation Equipment</strong></h5><ul><li>Bucharest, Romania</li><li>Application Specialist, Service engineer, Laboratory instruments</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/job/1219"><strong>Job details can be found here</strong></a></li></ul><h5><strong>7. Peak Scientific: Technical Support Specialist</strong></h5><ul><li>Glasgow, Scotland</li><li>Service engineer, Laboratory instruments</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/job/1135"><strong>Job details can be found here</strong></a></li></ul>

Lab Instrumentation Careers: Service & Sales Jobs at Metrohm and Peak Scientific

<p><strong>In the week of September 1, 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><h4><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</h4></blockquote><h5><strong>1. Thermo Fisher Scientific: Journey through time in Pesticides analysis</strong></h5><ul><li>Tu, 2.9.2025 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5434">Registration</a></li></ul><p>Learn how automation with TSQ 9610 GC-MS/MS boosts pesticide residue analysis. Explore QuEChERS, uSPE, PTV injection, and hydrogen carrier gas opportunities.</p><h5><strong>2. Thermo Fisher Scientific: The current landscape of MOSH/MOAH analysis</strong></h5><ul><li>Th, 4.9.2025 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5356">Registration</a></li></ul><p>Join us for a webinar about Mineral Oil Saturated Hydrocarbons (MOSH) and Mineral Oil Aromatic Hydrocarbons (MOAH) contamination in food, cosmetics, and packaging materials.</p>

Webinars LabRulezGCMS Week 36/2025

<p><strong>In the week of September 1, 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><h4><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</h4></blockquote><h5><strong>1. Thermo Fisher Scientific: Taking the complexity out of compliance: Understand the updated EN ISO 7704:2023 for water microbiology labs</strong></h5><ul><li>Tu, 2.9.2025 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5409">Registration</a></li></ul><p>Learn how EN ISO 7704:2023 impacts water microbiology labs, with practical guidance on compliance, testing workflows, and maintaining reliable microbial counts.</p><h5><strong>2. Phenomenex: Chromatography Modes Explained: Unraveling HILIC Phase!</strong></h5><ul><li>We, 3.9.2025 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5359">Registration</a></li></ul><p>Master HILIC method development—learn to optimize mobile phases, choose HILIC vs. RP, and apply it across pharma, food, and biochemistry with expert Zachary Woodward.</p><h5><strong>3. SCIEX: SCIEX OS software summer school – part 2: Data processing (quantitation)</strong></h5><ul><li>We, 3.9.2025 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5295">Registration</a></li></ul><p>Join us for part 2 of our live summer school series and continue building your confidence in SCIEX OS software.</p><h5><strong>4. Thermo Fisher Scientific: The current landscape of MOSH/MOAH analysis</strong></h5><ul><li>Th, 4.9.2025 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5356">Registration</a></li></ul><p>Join us for a webinar about Mineral Oil Saturated Hydrocarbons (MOSH) and Mineral Oil Aromatic Hydrocarbons (MOAH) contamination in food, cosmetics, and packaging materials.</p><h5><strong>5. Unchained Labs: Jump start your nanoparticle workflow with Sunshine Single and Stunner AF</strong></h5><ul><li>Th, 4.9.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5417">Registration</a></li></ul><p>Learn how Sunshine Single and Stunner AF simplify nanoparticle synthesis and analysis. Discover fast, flexible workflows for size, quant, and EE% in this webinar.</p><h5><strong>6. C&amp;EN: All Research Chemicals Are Not The Same</strong></h5><ul><li>Th, 4.9.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5390">Registration</a></li></ul><p>Discover how research chemical quality impacts cost, safety, and outcomes. Learn what 1,000+ lab professionals prioritize and how to avoid risks from low-grade materials.</p>

Webinars LabRulezLCMS Week 36/2025

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