<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in week 33, 2024? Check out new documents from the field of spectroscopy, especially ICP/MS techniques!</strong></p>
<blockquote>
<h4>👉 <a href="https://icpms.labrulez.com/library"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT ICPMS AND RELATED TECHNIQUES</strong></a></h4>
</blockquote>
<blockquote>
<p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p>
</blockquote>
<h4><strong>1. Agilent Technologies: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/wp_optimization_grain_analysis_icp_ms_8900_5994_7599en_agilent_fa0cf47344.pdf">Economical Carbon Enhanced Plasma Ionization: Substituting Acetic Acid with Carbon Dioxide</a></strong></h4>
<ul>
<li>Application</li>
</ul>
<h5><strong>Cost-effective method suitable for routine analysis of Australian grain export cargoes by Agilent 8900 ICP-QQQ</strong></h5>
<p><strong>Conclusion</strong></p>
<p>A custom process was developed for mixing carbon dioxide in argon and supplying it to the plasma of the Agilent 8900 ICP-QQQ. The study showed that the use of gaseous carbon for plasma ionization enhancement provided advantages over traditional liquid sources of carbon, such as acetic acid, in terms of cost and performance. The scalability of the gas supply system can be enhanced by increasing the size of the ballast tank, enabling the efficient use with multiple ICP-MS instruments. This optimization would lead to more cost reductions.</p>
<p>The use of CO2  in Ar, supplied from a ballast tank, ensures easy and rapid adjustment of the carbon composition of the plasma with minimal flush out times, addressing a common challenge associated with liquid carbon sources. Carbon was shown to enhance the signal of key elements such as arsenic in the plasma, while maintaining the sensitivity of other elements. The carbon buffering effects of the modified plasma enable the quantification of low concentrations of analytes in food samples, such as grains. Adding carbon to the plasma if especially useful for samples that have variable carbon content, as it compensates for any sample differences and minimizes the variability from easily ionized elements. Based on our experience, the 8900 ICP-QQQ has proven to be a highly efficient and cost-effective tool for analyzing export grain cargoes, especially in a high-throughput laboratory setting.</p>
<h4><strong>2. Shimadzu: <a href="https://icpms.cz/labrulez-bucket-strapi-h3hsga3/C113_E036_94c7dfae0c.pdf">LA-ICP-MS Software</a></strong></h4>
<ul>
<li>Brochures and specifications</li>
</ul>
<p><strong>By combining this software with Shimadzu ICPMS Series Systems connected to a laser ablation instrument, sample measurement and data output in a format compatible with imaging data analysis software are possible.</strong></p>
<p><strong>Batch registration of line scan information</strong></p>
<ul>
<li>The sample information can be entered using the image of the irradiation area (Number of lines x irradiation time) set by the laser ablation instrument. Reduce the time and effort required to enter information to 1/10 or less*.</li>
</ul>
<h6>*When 10 or more lines are registered</h6>
<p><strong>Data output per sample</strong></p>
<ul>
<li>The acquired data is output as one data file per sample. Prevents missing or mixed data when multiple line data are selected and output.</li>
</ul>
<p><strong>Supports imdx format</strong><br/>The data of the output imdx format can be read as it is by Shimazu Mass Spectrometry Imaging Data Analysis Software IMAGEREVEAL™ MS. You can start the analysis immediately without converting the data.</p>
<h4><strong>3. Agilent Technologies: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_lib_electolyte_cary_3500_flexible_uv_vis_5994_7602en_agilent_ebebd9a4ad.pdf">Quality Control of Lithium-Ion Battery Electrolytes and Solvents by UV-Vis Spectroscopy</a></strong></h4>
<ul>
<li>Applications</li>
</ul>
<h5><strong>Color measurements and safe chemical handling using an Agilent Cary 3500 Flexible UV-Vis with Cary Sipper pump</strong></h5>
<p><strong>Abstract:</strong> Ensuring the quality of electrolytes used in lithium-ion batteries (LIBs) is crucial for maintaining the safety, performance, and longevity of these energy storage devices. LIB electrolytes consist of lithium salts dissolved in organic solvents. Any discoloration (yellowness) of these near-clear solutions can indicate contamination or degradation. Industry methods such as ASTM D5386-16 Standard Test Method for Color of Liquids Using Tristimulus Colorimetry can be applied to assess the quality of electrolytes by conducting instrumental color measurements using UV-Vis spectroscopy. Given the low absorbance of colorless-to-near-colorless liquid samples like LIB electrolytes and solvents, a highly accurate and sensitive UV-Vis spectrophotometer is essential.</p>
<p>This study demonstrates an effective quality assessment method for LIB electrolytes and solvents using the Agilent Cary 3500 Flexible UV-Vis spectrophotometer fitted with the optional Agilent Cary Sipper flow cell pump. The method is suitable for production quality control of hazardous samples, ensuring safe sample handling, high throughput, and high quality results for production-critical chemicals.</p>
<p><strong>Conclusion:</strong> The Agilent Cary 3500 Flexible UV-Vis spectrophotometer provided accurate and precise color measurements for colorless to near-colorless LIB electrolytes and solvents in accordance with the ASTM D5386 standard method. Advantages of the Cary 3500 Flexible method and findings based on the data set include:</p>
<ul>
<li>Hazardous samples were introduced directly into a 10 mm path length flow cell using the Cary Sipper pump, ensuring user safety and high sample throughput without compromising data quality.</li>
<li>The superior sensitivity (high signal-to-noise ratio) of the Cary 3500 combined with Agilent Cary WinUV Color application software enabled the reliable monitoring and control of electrolyte properties by analyzing light absorption in the visible spectrum.</li>
<li>Higher Pt-Co color (APHA) values of the used LIB electrolytes compared to fresh samples suggested a deterioration in quality due to the color changes.</li>
<li>Color measurements could be used to improve the quality control of LIB electrolytes and solvents by identifying discoloration—an indication of contamination or degradation that could affect battery performance.</li>
<li>This effective method could be implemented in both manufacturing QC settings and R&amp;D laboratories.</li>
</ul>
<p>QC color measurements using the Cary 3500 Flexible UV-Vis would ensure that only high-quality electrolytes are used in the production of LIBs, enhancing their safety, efficiency, and durability.</p>
<h4><strong>4. Thermo Fisher Scientific: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sp_002912_tea_icp_oes_metals_sp002912_em_en_b66a04979b.pdf">Discover more with the SemiQuant feature of Thermo Scientific Qtegra ISDS Software</a></strong></h4>
<ul>
<li>Other</li>
</ul>
<h5><strong>Thermo Scientific iCAP PRO Series ICP-OES</strong></h5>
<p><strong>Discover more with the SemiQuant feature of Thermo Scientific Qtegra ISDS Software</strong></p>
<p>Semi-quantitative analysis can be carried out by inductively coupled plasma-optical emission spectroscopy (ICP-OES) and involves determining the relative concentrations of elements in a sample rather than obtaining precise quantitative measurements. The semiquantitative approach is often used for rapid screening of samples or for identifying elemental composition trends rather than obtaining exact concentrations. Interpretation of semi-quantitative analysis may involve identifying major and minor elements present in the sample, detecting elemental trends or patterns, or comparing the elemental composition of different samples.</p>
<p><strong>What is SemiQuant?</strong></p>
<p>The SemiQuant feature within the Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution™ (ISDS) Software is a data acquisition tool leveraging Artificial Intelligence and employing deep neural networks to simplify the complex process of intra- and inter-element correction, selecting only non-interfered peaks, automatically. This supports fast screening of samples to gain insights into sample composition. It can be a useful aid in method development and enables the collection and archiving of approximate elemental concentrations of a broader range of analytes in the samples in case they can be of interest at a future date. Its unique implementation allows users to get a good understanding of the presence of certain elements in their sample and also offers the concentration amount and a level of confidence for the given concentration to allow the best possible interpretation of the results.</p>


News from LabRulezICPMS - Library Week 33, 2024

<p><strong>In the research article published in ACS <em>Analytical Chemistry</em> journal the researchers from the Department of Physical and Analytical Chemistry, and the Department of Functional Biology (Physiology), University of Oviedo, Spain presented novel analytical strategy for detecting miRNA in human plasma without relying on nucleic acid amplification.</strong></p>
<p>MicroRNAs (miRNAs) are short RNA sequences that play a key role in gene expression and respond to physiological changes, such as those induced by physical exercise. This study presents a novel analytical strategy for detecting miRNA in human plasma without relying on nucleic acid amplification (eg PCR). The method uses a double hybridization process with a magnetic microparticle and a gold nanoparticle for highly selective detection, even at single nucleotide variations. The approach is validated against rt-qPCR and can differentiate between sedentary and active individuals based on miRNA levels. Additionally, this versatile platform can be easily adapted for other miRNA sequences.</p>
<blockquote>
<h4><strong>The original article</strong></h4>
</blockquote>
<blockquote>
<h5><a href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c01904"><strong>Amplification-Free Strategy for miRNA Quantification in Human Serum Using Single Particle ICP–MS and Gold Nanoparticles as Labels</strong></a></h5>
<p>Sara González Morales, Carlos López-Portugués, Manuel Fernández-Sanjurjo, Eduardo Iglesias-Gutiérrez, María Montes Bayón, and Mario Corte-Rodríguez</p>
<p><em>Analytical Chemistry</em> <strong>2024</strong> <em>96</em> (30), 12414-12423</p>
<p>DOI: 10.1021/acs.analchem.4c01904</p>
<h6>licensed under <a href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6>
</blockquote>
<h3><strong>Abstract</strong></h3>
<p>MicroRNAs (miRNAs), which are short single-stranded RNA sequences between 18 and 24 nucleotides, are known to play a crucial role in gene expression. Changes in their expression are not only involved in many diseases but also as a response to physiological changes, such as physical exercise. In this work, a new analytical strategy for the sensitive and specific analysis of miRNA sequences in human plasma is presented. The developed strategy does not depend on any nucleic acid amplification process and can be obtained in direct correlation to the number of events obtained by using single-particle ICP–MS measurements. The high selectivity of the assay (up to single nucleotide polymorphisms) can be achieved by a double hybridization process of the target miRNA with a complementary capture oligonucleotide that is conjugated to a magnetic microparticle and simultaneously with a complementary reporter oligonucleotide conjugated to a gold nanoparticle. Thanks to the novel approach followed in this method, the stoichiometry of the oligonucleotide-nanoparticle conjugates does not need to be addressed for the quantification of the target miRNA, which also represents a big advantage over other similar methods. The optimized method is applied to the determination of a miRNA as a biomarker of physical exercise in non-spiked human serum samples, and the results are validated against rt-qPCR. The achieved sensitivity permits the direct differentiation among sedentary and sportive subjects. This general platform can be easily applied to any other sequence by only modifying the capture and reporter oligonucleotides, paving the way for multiple clinically interesting applications.</p>
<h3><strong>Introduction</strong></h3>
<p>Microribonucleic acids (miRNAs) are small noncoding RNA biomolecules with a length between 18 and 24 nucleotides that are involved in different cellular processes, such as gene expression modulation. In fact, the main function of miRNAs consists of their union with mRNAs by base complementarity, either preventing their translation or inducing their degradation, resulting in both cases in a negative post-transcriptional regulation of gene expression. Over 60% of protein-coding genes are known to be regulated by different miRNAs. (1)...</p>
<p>...In this work, miRNA quantification is based on the specificity of nucleic acid hybridization and the highly sensitive and specific nanoparticle counting capabilities of individual nanoparticles by SP-ICP-MS. The amplification-free workflow that we propose is based on the hybridization of a specific target miRNA sequence (miR-16-5p) with two DNA sequences that are each complementary to half of the target, respectively. One of them is conjugated to a magnetic microparticle (capture probe) that is used for the enrichment and washing of the target sequence. The other half-complementary sequence is conjugated to a gold nanoparticle that is detected by SP-ICP-MS (detection probe). Although the analytical strategy is comparable to this from Xu et al., (34) it is important to note that our methodology is applied to quantify different levels of expression of miRNA sequences as short as 22 nucleotides that are naturally present in human serum samples. Scheme 1 summarizes the main differences between the proposed strategy and other methods for miRNA quantification. Therefore, this methodology represents a step forward in facing challenges like miRNA pre-concentration in a complex matrix with the important role of quantification, which is crucial to extracting conclusions depending on the expression levels.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Analytical_Chemistry_Anal_Chem_2024_96_30_12414_12423_Scheme_1_Main_Differences_of_the_Methodology_Proposed_in_This_Article_in_Comparison_With_Other_Traditional_Techniques_6f30e97f14.jpg" alt="Anal. Chem. 2024, 96, 30, 12414-12423: Scheme 1. Main Differences of the Methodology Proposed in This Article in Comparison With Other Traditional Techniques."/></p>
<h3><strong>Experimental Section</strong></h3>
<h4><strong>Instrumentation</strong></h4>
<p>The measurements were performed by using the <a href="https://icpms.labrulez.com/library?instrumentationItems=83-90&amp;mainauthorItems=3&amp;search=+iCAP+TQ"><strong>iCAP TQ triple quadrupole ICP–MS system from Thermo Fisher Scientific</strong></a>. All measurements, including single particle ICP–MS measurements, were done using the standard configuration for sample introduction, including the MicroMist nebulizer at a sample flow rate of 0.4 mL min–1 and a cyclonic spray chamber because a high transport efficiency was not crucial for this application. The sample introduction system was operated in combination with an ASX-560 autosampler from Teledyne Cetac. The ICP–MS was tuned daily to maximize sensitivity while keeping the formation of oxides and doubly charged species below 3 and 5%, respectively.</p>
<p>For spectrophotometric measurements of nucleic acid concentrations, a NanoDrop spectrophotometer (Thermo Fisher Scientific) was used. A transmission electron microscope MET JEOL-JEM-2100F was used to obtain images of the nanoparticles. A scanning electron microscope MEB JEOL-6610LV with EDX microanalysis was used for the images and elemental analysis of microparticles. Other basic laboratory instrumentation was also used, including an analytical precision balance, an ultrasonic bath, a vortex mixer, and a block heater...</p>
<h3><strong>Results and Discussion</strong></h3>
<h4><strong>Characterization of Naked and Conjugated Gold Nanoparticles</strong></h4>
<p>The gold nanoparticles used as metal labels for the detection probe were characterized both before and after their conjugation with the DNA oligo by SP-ICP-MS, transmission electron microscopy (TEM), and DLS. The results of SP-ICP-MS, shown in Table 1 and Figure 1, reveal that the obtained mean diameters were 23.3 ± 3.3 nm, which was slightly larger than the value provided by the manufacturer (22 nm). When a Student-t test was performed to compare the mean diameters of the conjugated and original nanoparticles, no statistical differences between them or compared to the value given by the manufacturer was observed at a 95% confidence level. Under these conditions, the size limit of detection was calculated as 18 nm, well below the size of the nanoparticles. Both sets of particles showed a narrow distribution, as can be seen in Figure 1, although the nanoparticles showed a more monodisperse distribution after the conjugation (Figure 1B), probably due to an increased stability in solution when coated with negatively charged oligonucleotides...</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Analytical_Chemistry_Anal_Chem_2024_96_30_12414_12423_Table_1_Theoretical_Specified_by_Manufacturer_and_Experimental_Diameter_for_the_Pegylated_Gold_Nanoparticles_Before_9374c01b7b.jpg" alt="Anal. Chem. 2024, 96, 30, 12414-12423: Table 1. Theoretical (Specified by Manufacturer) and Experimental Diameter for the Pegylated Gold Nanoparticles Before (Bare) and After (Conjugated) Conjugation With the Oligo_ᵃ."/></p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Analytical_Chemistry_Anal_Chem_2024_96_30_12414_12423_Figure_1_Histograms_showing_the_diameters_distribution_of_the_gold_nanoparticles_analyzed_by_SP_ICP_MS_A_in_black_39075eec62.jpg" alt="Anal. Chem. 2024, 96, 30, 12414-12423: Figure 1. Histograms showing the diameters distribution of the gold nanoparticles analyzed by SP-ICP-MS. (A) (in black) Unconjugated nanoparticles and (B) (in red) nanoparticles after being conjugated with the oligonucleotide probe, with a shift to higher diameter values."/></p>
<h3><strong>Conclusions</strong></h3>
<p>In this study, we introduce a novel amplification-free miRNA analysis method using magnetic microparticles for capture and preconcentration and gold nanoparticles as labels that amplify the response for ICP–MS detection. Eliminating the need for nucleic acid sequence amplification, our approach streamlines the analysis process while reducing potential sources of error that are common in conventional techniques. Moreover, it circumvents the often challenging considerations of oligonucleotide-nanoparticle conjugation stoichiometry. Importantly, this methodology also demonstrates remarkable resilience to batch-to-batch variations in conjugation processes, which are accounted for in daily calibration.<br/>The high selectivity of the assay, thanks to the complementarity interactions between probes and analytes, has been demonstrated, achieving the possibility of clearly discriminating a 2-base mismatch. Even more, the response to single nucleotide polymorphisms is seriously affected, and these kinds of important sequence variations can also be also discriminated. The developed method, which has been validated against the gold-standard RT-qPCR, can be easily modified to detect any miRNA sequence by changing only the detection and capture probes. This allows for high versatility with minimal optimization for the detection of any miRNA sequence.</p>


Amplification-Free Strategy for miRNA Quantification in Human Serum Using Single Particle ICP–MS and Gold Nanoparticles as Labels

<p><strong>In the week from August 19, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p>
<blockquote>
<h4><a href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4>
</blockquote>
<blockquote>
<p><strong>👉 Search and filter in the largest global database</strong>  with over <strong>3 500 GC, LC, MS and spectroscopy webinars</strong>.</p>
</blockquote>
<h5><strong>1. SelectScience/CYTEK: Improving Results Through Better Understanding: A Primer On High-Dimensional Flow Cytometry Technologies And Reagents</strong></h5>
<ul>
<li>Tu, 20.8.2024 17:00 CEST</li>
<li><a href="https://icpms.labrulez.com/webinar/4186">Registration</a></li>
</ul>
<p>A broad overview of available high-dimensional flow cytometry technologies and reagents, how they work, and an experience-informed breakdown of the strengths and limitations of each technique. </p>
<h5><strong>2. Agilent Technologies: Analysis of Electrolyte and Li salts commonly used in Li Battery manufacturing</strong></h5>
<ul>
<li>Tu, 20.8.2024 21:30 CEST</li>
<li><a href="https://icpms.labrulez.com/webinar/3910">Registration</a></li>
</ul>
<p>Analysis of Electrolyte and Li salts commonly used in Li Battery manufacturing.</p>
<h5><strong>3. Agilent Technologies: The benefits of a fully Integrated Advanced Dilution System (ADS) for ICP-OES</strong></h5>
<ul>
<li>Th, 22.8.2024 20:00 CEST</li>
<li><a href="https://icpms.labrulez.com/webinar/3911">Registration</a></li>
</ul>
<p>Boost productivity and eliminate tedious standard and sample preparation using Agilent’s Advanced Dilution System (ADS) with the ICP-OES.</p>


Webinars LabRulezICPMS Week 34/2024

<p><strong>In the week from August 26, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p>
<blockquote>
<h4><a href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4>
</blockquote>
<blockquote>
<p><strong>👉 Search and filter in the largest global database</strong>  with over <strong>3 500 GC, LC, MS and spectroscopy webinars</strong>.</p>
</blockquote>
<h5><strong>1. Agilent Technologies: Effortless UV-VIS Analysis with Long Pathlength Measurements</strong></h5>
<ul>
<li>Tu, 27.8.2024 21:30 CEST</li>
<li><a href="https://icpms.labrulez.com/webinar/3912">Registrace</a></li>
</ul>
<p>The Cary 3500&#39;s flexible sampling options make this concentration analysis more effortless than ever before.</p>
<h5><strong>2. Thermo Fisher Scientific: Improved EA-IRMS NCS workflow for archaeology and ecology applications</strong></h5>
<ul>
<li>We, 28.8.2024 16:00 CEST</li>
<li><a href="https://icpms.labrulez.com/webinar/4210">Registrace</a></li>
</ul>
<p>This presentation will describe how we have optimized our Thermo Scientific EA IsoLink System with the new High Performance Kit for sulfur analysis to allow for high precision and accuracy NCS analysis.</p>
<h5><strong>3. Mettler-Toledo: The Exciting World of Flash DSC</strong></h5>
<ul>
<li>Th, 29.8.2024 08:00 CEST</li>
<li><a href="https://icpms.labrulez.com/webinar/3914">Registrace</a></li>
</ul>
<p>Advanced Material Characterization by Fast-Scanning Calorimetry.</p>
<h5><strong>4. SelectScience/Andor: The Cellular Itinerary of Renal Aquaporin-2 Shuttling with 4.5x Expansion Microscopy</strong></h5>
<ul>
<li>Th, 29.8.2024 17:00 CEST</li>
<li><a href="https://icpms.labrulez.com/webinar/4191">Registrace</a></li>
</ul>
<p>This webinar will present results showing that newly established 4.5 expansion microscopy is an ideal approach to obtain detailed information regarding the AQP2 vesicle population.</p>


Webinars LabRulezICPMS Week 35/2024

<p><strong>In the research article recently published in ACS <em>Analytical Chemistry</em> journal the researchers from the Imperial College London, UK, introduced the J-RESRGAN, an adapted and modified generative adversarial network (GAN) for image super-resolution (SR), which was trained specifically for metabolomic J-Resolved spectra to enhance peak resolution.</strong></p>
<p>J-Resolved (J-Res) NMR spectroscopy is vital for metabolomics research, but it often requires a trade-off between high-resolution but time-intensive experiments and quicker low-resolution experiments prone to peak overlap. To address this, J-RESRGAN, a modified generative adversarial network (GAN), was developed to enhance the resolution of J-Res spectra using deep learning. By training the model on simulated high-resolution spectra and introducing a novel symmetric loss function, J-RESRGAN significantly improved peak resolution across a variety of sample types. The model demonstrated enhanced resolution in over 80% of peak pairs in experimental data, offering quick, accessible improvements for existing datasets. J-RESRGAN, openly accessible on GitHub, presents a promising approach for advancing precision in NMR-based metabolomics.</p>
<blockquote>
<h4><strong>The original article</strong></h4>
</blockquote>
<blockquote>
<h5><a href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c00563"><strong>Resolution Enhancement of Metabolomic J-Res NMR Spectra Using Deep Learning</strong></a></h5>
<p>Yan Yan, Michael T. Judge, Toby Athersuch, Yuchen Xiang, Zhaolu Liu, Beatriz Jiménez, and Timothy M. D. Ebbels</p>
<p><em>Analytical Chemistry</em> <strong>2024</strong> <em>96</em> (29), 11707-11715</p>
<p>DOI: 10.1021/acs.analchem.4c00563</p>
<h6>licensed under <a href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6>
</blockquote>
<h3><strong>Abstract</strong></h3>
<p>J-Resolved (J-Res) nuclear magnetic resonance (NMR) spectroscopy is pivotal in NMR-based metabolomics, but practitioners face a choice between time-consuming high-resolution (HR) experiments or shorter low-resolution (LR) experiments which exhibit significant peak overlap. Deep learning neural networks have been successfully used in many fields to enhance quality of natural images, especially with regard to resolution, and therefore offer the prospect of improving two-dimensional (2D) NMR data. Here, we introduce the J-RESRGAN, an adapted and modified generative adversarial network (GAN) for image super-resolution (SR), which we trained specifically for metabolomic J-Res spectra to enhance peak resolution. A novel symmetric loss function was introduced, exploiting the inherent vertical symmetry of J-Res NMR spectra. Model training used simulated high-resolution J-Res spectra of complex mixtures, with corresponding low-resolution spectra generated via blurring and down-sampling. Evaluation of peak pair resolvability on J-RESRGAN demonstrated remarkable improvement in resolution across a variety of samples. In simulated plasma data, 100% of peak pairs exhibited enhanced resolution in super-resolution spectra compared to their low-resolution counterparts. Similarly, enhanced resolution was observed in 80.8–100% of peak pairs in experimental plasma, 85.0–96.7% in urine, 94.4–98.9% in full fat milk, and 82.6–91.7% in orange juice. J-RESRGAN is not sample type, spectrometer or field strength dependent and improvements on previously acquired data can be seen in seconds on a standard desktop computer. We believe this demonstrates the promise of deep learning methods to enhance NMR metabolomic data, and in particular, the power of J-RESRGAN to elucidate overlapping peaks, advancing precision in a wide variety of NMR-based metabolomics studies. The model, J-RESRGAN, is openly accessible for download on GitHub at <a href="https://github.com/yanyan5420/J-RESRGAN"><strong>https://github.com/yanyan5420/J-RESRGAN.</strong></a></p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Analytical_Chemistry_Anal_Chem_2024_96_29_11707_11715_Figure_6_Examples_of_peak_pairs_from_experimental_data_For_each_individual_panel_the_upper_row_displays_the_2_D_HR_LR_and_SR_c002ecf982.jpg" alt="Anal. Chem. 2024, 96, 29, 11707-11715: Figure 6. Examples of peak pairs from experimental data. For each individual panel, the upper row displays the 2D HR, LR, and SR spectra respectively; the subsequent row depicts the 1D profiles along the red dashed line; blue─HR, red─LR, and green─SR. Plots (a, b) display two examples of peak pairs aligned along the F1 axis, demonstrating the recovery to doublets in the SR spectra from the singlets observed in LR spectra."/></p>


Resolution Enhancement of Metabolomic J-Res NMR Spectra Using Deep Learning

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in week 34, 2024? Check out new documents from the field of spectroscopy, especially ICP/MS techniques!</strong></p>
<blockquote>
<h4>👉 <a href="https://icpms.labrulez.com/library"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT ICPMS AND RELATED TECHNIQUES</strong></a></h4>
</blockquote>
<blockquote>
<p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p>
</blockquote>
<p>This week we bring to you a poster from <a href="https://gcms.labrulez.com/events/568"><strong>ASMS 2024</strong></a> by <strong>Agilent Technologies</strong>, applications by <strong>Shimadzu</strong> and <strong>Thermo Fisher Scientific</strong>, and technical note by <strong>Metrohm</strong>!</p>
<h4><strong>1. Agilent Technologies: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_7850_icpms_elemental_impurities_oligo_asms_2024_mp131_en_agilent_e8292cc884.pdf">Analysis of Elemental Impurities in Synthetic Oligonucleotides by ICP-MS In compliance with USP &lt;232&gt;/&lt;233&gt; and ICH Q3D(R2)/Q2(R1)</a></strong></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296"><strong>ASMS 2024</strong></a></li>
</ul>
<p><strong>Introduction:</strong> Synthetic oligonucleotides are short chains (oligomers) of deoxyribonucleic acid (DNA) or ribonucleic acid (RNA) molecules. They are used in applications such as polymerase chain reaction (PCR) tests, DNA sequencing and novel therapeutic products.</p>
<p>The synthesis of oligonucleotides involves a four-step cyclic process followed by multi-step downstream purification. This manufacturing process as well as environment, packaging, and container closure systems can be potential sources of contamination leading to inorganic impurities formation.</p>
<p>To control and monitor product safety, permitted daily exposure (PDE) limits of 24 elements are defined in ICH guideline Q3D(R2)1 and USP chapter &lt;232&gt;2. ICH Q2(R1)3 and USP&lt;233&gt; 4 describe analytical measurement requirements and procedures for the measurement of those elemental impurities. Although oligonucleotide products have not been included in those regulatory guidelines yet, the industry common practice is to follow those guidelines.</p>
<p>In this study, an analytical workflow (Figure1) was developed in accordance with the ICH/USP guidelinesfor the analysis of elemental impurities in an oligonucleotide sample using an Agilent 7850 ICP-MS. Data was acquired to evaluate the accuracy, specificity, reproducibility, and ruggedness of the method.</p>
<p><strong>Conclusion:</strong> The study has demonstrated the suitability of the Agilent 7850 ICP-MS for the identification and quantification of 24 elements in a synthetic oligonucleotide sample in compliance with existing USP and ICH guidelines. Instrument and method performance requirements for stability, detectability, precision, specificity, ruggedness, accuracy, and spike recovery were all achieved per the criteria given in USP &lt;232&gt;/&lt;233&gt; and ICH Q3D(R2)/Q2(R1).</p>
<p>As the development and use of oligonucleotides in therapeutic applications continue to advance, the elemental impurities analysis of oligonucleotides using 7850 ICP-MS can safeguard the product quality and safety.</p>
<h4><strong>2. Metrohm: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Metrohm_OMNIS_NIRS_An_efficiency_boost_for_your_706048fea4.pdf">OMNIS NIRS: An efficiency boost for your laboratory</a></strong></h4>
<ul>
<li>Technical note</li>
</ul>
<h5><strong>Routine lab analysis – simplified with OMNIS NIRS</strong></h5>
<p>Near-infrared spectroscopy (NIRS) is an analytical technique used to determine multiple parameters in samples quickly without requiring any chemicals. Determinations can be performed in liquids, pastes, and solids with this non-destructive method.</p>
<p>Many industries benefit from using NIRS in their laboratory workflows. Time and cost savings are two of the most convincing arguments for adopting NIRS in the laboratory. It is also easy to use, even for non-technical operators.</p>
<p>This White Paper discusses the concept and benefits of NIR spectroscopy, supplemented with the use of the Metrohm NIR solution, OMNIS NIRS, in several real-life laboratory application examples. Applications from the petrochemical, food and beverage, semiconductor, and pharmaceutical industries are used to demonstrate the unique functionalities of OMNIS NIRS in different situations.</p>
<p><strong>SUMMARY:</strong> With OMNIS NIRS, users get a flexible, modular analytical solution which is suitable for many industries. Unique functionalities include:</p>
<ul>
<li>automatic model development (OMD)</li>
<li>a high measurement speed</li>
<li>the possibility to recognize sample insertion and removal</li>
<li>sophisticated temperature control</li>
<li>the ability to combine different analytical technologies from a single manufacturer—even in an automated system</li>
</ul>
<p>Boost the efficiency of your laboratory with OMNIS NIRS.</p>
<h4><strong>3. Shimadzu: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00712_en_f0d3971af4.pdf">Analysis of Metal Elements in Culture Medium Using ICPMS-2050</a></strong></h4>
<ul>
<li>Application</li>
</ul>
<p><strong>User Benefits</strong></p>
<ul>
<li>Analysis of both trace and high-concentration elements is possible in culture media.</li>
<li>Culture media can be analyzed with simple dilution-only pretreatment using the ICPMS-2050.</li>
<li>The elements in the culture medium can be analyzed reliably and accurately over a long period.</li>
</ul>
<p><strong>Introduction:</strong> A culture medium usually contains elements spanning a wide range of concentrations, from trace (Co, Cu, Se, etc.) to several thousand ppm (Na). Elementsin the medium are important in cell cultures because they are taken up by the cells and contribute to enzyme activity and redox reactions. On the other hand, it has been pointed out that unexpected contamination from raw materials and equipment in the culture media manufacturing process may cause differences in element concentrations among batches. Therefore, it is important to know the element concentration profiles in the culture medium to achieve a homogeneous cell culture. </p>
<p>ICP-MS issuitable for this purpose because it can analyze multiple elements with high sensitivity and has a wide dynamic range. In this Application News, an ICPMS-2050 was used to analyze both trace and high-concentration elements in a culture medium by dilution-only pretreatment. Furthermore, the spike recovery and long-term stability in the culture medium were evaluated using the ICPMS-2050 to confirm that there was no effect on the analytical value due to dilution-only pretreatment.</p>
<p><strong>Summary:</strong> In this Application News, the ICPMS-2050 was used to analyze trace and high-concentration elements in a culture medium using dilution-only pretreatment. Good spike recoveries were obtained for all the measured elements, verifying that the culture medium can be accurately analyzed with dilution-only pretreatment. In addition, the results of CCV and internal standard recoveries showed good long-term stability.</p>
<h4><strong>4. Thermo Fisher Scientific: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_002821_tea_icap_ms_icap_tqe_industrial_an002821_em_en_b60acdccc6.pdf">Analysis of process water from hydrogen fuel cells using triple quadrupole inductively coupled plasma mass spectrometry (ICP-MS)</a></strong></h4>
<ul>
<li>Application</li>
</ul>
<p><strong>Keywords:</strong> Fluorine, fuel cell, high resolution, ICP-MS, KED, PEM, process water, triple quadrupole, TQ-O2 mode</p>
<p><strong>Goal:</strong> To demonstrate the analysis of process water from hydrogen fuel cells for inorganic trace contaminants with high sensitivity and accuracy using triple quadrupole ICP-MS</p>
<p><strong>Conclusions:</strong> The iCAP TQe ICP-MS was employed to analyze 53 elements including fluorine in process water derived from hydrogen fuel cells. Among the analytes, several critical interferences can cause unexpected bias, and these were investigated closely for effective and complete removal by means of selective collision / reaction cell reactions with oxygen. This study also included the development of a method for the analysis of fluorine, generally only possible in an indirect measurement. This analytical method was rigorously tested, and the results obtained clearly demonstrate the fowling analytical advantages:</p>
<ul>
<li>The iCAP TQe ICP-MS operated in TQ-O2 and He KED modes allowed the analysis of 53 elements in relevant sample matrices over a wide concentration range. For minor elements, the method was tested over 4 orders of magnitude (from 0.01 to 100 µg·L-1), whereas major elements were tested between 1 to 100 µg·L⁻¹.</li>
<li>Using a high throughput analysis approach, with a new autosampler equipped with a Step Ahead feature for minimizing total analysis time, all elements relevant for the development of hydrogen fuel cell technology could be measured accurately with low detection limits.</li>
<li>The use of TQ-O₂ mode provided advanced performance for eliminating the polyatomic interferences of phosphorus, sulfur, silver, and cadmium in the simulated hydrogen fuel cell process water. This covered both polyatomic interferences as well as overlaps created by intense signals from isotopes of elements present in high concentrations.</li>
<li>he iCAP TQe ICP-MS offers the flexibility to choose high resolution for the Q1 and Q3 quadrupoles, enabling complete elimination of polyatomic interference and isobaric interferences.</li>
<li>The feasibility of fluorine analysis was demonstrated using an indirect method after complexation with barium. The iCAP TQe ICP-MS showed accurate and precise determination of fluorine as proven by the spike recovery tests performed.</li>
<li>Excellent stability performance was obtained with the iCAP TQe ICP-MS together with excellent CCV and spike recovery results over a 3-hour run without internal standard correction. This provides the advantage of avoiding potential contamination from addition of the internal standard solution.</li>
</ul>


News from LabRulezICPMS - Library Week 34, 2024

<p><strong>In the research article recently published in ACS <em>Analytical Chemistry</em> journal the international team of researchers from International Tomography Center SB RAS, Kiel University, University of York, and Wayne State University analyzed the dissociation rates of model substrates in Signal Amplification By Reversible Exchange (SABRE) NMR spectroscopy experiment, evaluating kinetic models, and determining key activation parameters.</strong></p>
<p>The article discusses the process of nuclear spin hyperpolarization via Signal Amplification By Reversible Exchange (SABRE), which significantly enhances NMR signal intensities for various analytes. SABRE relies on the interaction of parahydrogen with organometallic complexes, allowing for the transfer of hyperpolarization to analytes through chemical exchange. The study focuses on analyzing the dissociation rates of specific model substrates, evaluating kinetic models, and determining key activation parameters. This research also aims to establish a reliable methodology for quantifying chemical exchange in SABRE, facilitating the optimization of SABRE-based catalysts.</p>
<blockquote>
<h4><strong>The original article</strong></h4>
</blockquote>
<blockquote>
<h5><a href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c01374"><strong>Modeling Ligand Exchange Kinetics in Iridium Complexes Catalyzing SABRE Nuclear Spin Hyperpolarization</strong></a></h5>
<p>Oleg G. Salnikov, Charbel D. Assaf, Anna P. Yi, Simon B. Duckett, Eduard Y. Chekmenev, Jan-Bernd Hövener, Igor V. Koptyug, and Andrey N. Pravdivtsev</p>
<p><em>Analytical Chemistry</em> <strong>2024</strong> <em>96</em> (29), 11790-11799</p>
<p>DOI: 10.1021/acs.analchem.4c01374</p>
<h6>licensed under <a href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6>
</blockquote>
<h5>Selected sections from the article follow.</h5>
<h3><strong>Abstract</strong></h3>
<p>Large signal enhancements can be obtained for NMR analytes using the process of nuclear spin hyperpolarization. Organometallic complexes that bind parahydrogen can themselves become hyperpolarized. Moreover, if parahydrogen and a to-be-hyperpolarized analyte undergo chemical exchange with the organometallic complex it is possible to catalytically sensitize the detection of the analyte via hyperpolarization transfer through spin–spin coupling in this organometallic complex. This process is called Signal Amplification By Reversible Exchange (SABRE). Signal intensity gains of several orders of magnitude can thus be created for various compounds in seconds. The chemical exchange processes play a defining role in controlling the efficiency of SABRE because the lifetime of the complex must match the spin–spin couplings. Here, we show how analyte dissociation rates in the key model substrates pyridine (the simplest six-membered heterocycle), 4-aminopyridine (a drug), and nicotinamide (an essential vitamin biomolecule) can be examined. This is achieved for the most widely employed SABRE motif that is based on IrIMes-derived catalysts by 1H 1D and 2D exchange NMR spectroscopy techniques. Several kinetic models are evaluated for their accuracy and simplicity. By incorporating variable temperature analysis, the data yields key enthalpies and entropies of activation that are critical for understanding the underlying SABRE catalyst properties and subsequently optimizing behavior through rational chemical design. While several studies of chemical exchange in SABRE have been reported, this work also aims to establish a toolkit on how to quantify chemical exchange in SABRE and ensure that data can be compared reliably.</p>
<h3><strong>Introduction</strong></h3>
<p>Nuclear spin hyperpolarization techniques are reshaping the field of NMR spectroscopy and imaging by dramatically enhancing sensitivity. (1) Dissolution dynamic nuclear polarization (dDNP) (2) employs high thermal equilibrium polarization of electron spins at low temperatures and high magnetic fields as a source of hyperpolarization, with polarization transfer induced by the application of microwave irradiation of the solid sample with a subsequent rapid sample dissolution. (3) As a result, the dDNP technique requires expensive and complex equipment. Alternatively, the sensetivity of liquid-state NMR spectroscopy can be enhanced using the singlet nuclear spin isomer of dihydrogen (parahydrogen, pH2) as a hyperpolarization source. (4) Here, hyperpolarization is often achieved by pairwise addition of pH2 to an unsaturated substrate in the parahydrogen-induced polarization (PHIP) (5,6) experiment, or by transient coordination of both pH2 and a substrate to an organometallic complex in the signal amplification by reversible exchange (SABRE) experiment (Figure 1). (7,8) In the latter case, the transiently formed organometallic complex enables polarization transfer from the nascent H atoms that originate from pH2 to the nuclear spins of the coordinated substrate. This polarization transfer can be achieved spontaneously (by free evolution in an appropriate magnetic field) (7) or driven by specially designed radiofrequency (RF) pulse sequences. (9)</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Analytical_Chemistry_Anal_Chem_2024_96_29_11790_11799_Figure_1_Scheme_of_SABRE_hyperpolarization_of_pyridine_p_H2_and_a_substrate_here_pyridine_Py_bind_to_form_a_transien_558944bdca.jpg" alt="Anal. Chem. 2024, 96, 29, 11790-11799: Figure 1. Scheme of SABRE hyperpolarization of pyridine. pH2 and a substrate (here: pyridine, Py) bind to form a transient complex, [Ir(H)2(IMes)(Py)3]Cl. Spin–spin interactions then drive spin order from IrHH (the pH2-derived hydride spins) to the Py substrate, resulting in two hyperpolarized equatorial substrate ligands (red Py) and orthohydrogen (oH2). IMes stands for 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-ylidene. The two equatorial chemically equivalent pyridine ligands exchange via a dissociative (SN1) mechanism. (22)"/></p>
<p>...</p>
<h3><strong>Methods</strong></h3>
<p>...</p>
<h4><strong>NMR Measurements</strong></h4>
<p>Each sample was supplied with H2 at 15 standard cubic centimeters per minute (sccm) gas flow rate, 7.9 bar, and room temperature until the SABRE precatalyst was converted completely into the SABRE-active dihydride complex, according to 1H NMR spectroscopy (25 min for Py, 30 min for NAM, 120 min for 4AP). Next, the sample was depressurized, and the catheter used to supply H2 to the solution was pulled up out of the solution by ∼12 cm (still inside the NMR tube), followed by reinitiation of H2 flow through the catheter. As a result, the sample resided under an H2 atmosphere at ambient pressure during the measurements; at the same time, gradual solvent evaporation was avoided since the gas flowed several centimeters above the solution.</p>
<p>NMR spectra were acquired on a 7.05 T Bruker AV 300 NMR spectrometer at several specified temperatures with a 5 mm probe without gradients. At each temperature, the following 1H NMR spectra were recorded: a 2D EXSY spectrum with a mixing time dmix (using Bruker TopSpin noesyph pulse sequence, Figure 2A), a regular 1D spectrum (zg Bruker TopSpin sequence), and several 1D selective EXSY (SEXSY) spectra with variable mixing times (dmix here is the variable d8 in a selno Bruker TopSpin pulse sequence, Figure 2B). The selective RF excitation (90° Gauss-shaped pulse, 40 ms, corresponding to 52.5 Hz excitation bandwidth) was tuned to excite the frequency of equatorially bound substrate protons (α-protons for Py, H-5 protons for NAM, and β-protons for 4AP). Hence, the corresponding resonances for the equilibrium concentration of the free materials were initially unencoded, and they only became visible through chemical exchange.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Analytical_Chemistry_Anal_Chem_2024_96_29_11790_11799_Figure_2_EXSY_A_and_SEXSY_B_NMR_pulse_sequences_The_rounded_pulse_in_the_diagram_is_frequency_selective_Several_delays_e71759fc48.jpg" alt="Anal. Chem. 2024, 96, 29, 11790-11799: Figure 2. EXSY (A) and SEXSY (B) NMR pulse sequences. The rounded pulse in the diagram is frequency-selective. Several delays were applied: d1 stands for relaxation delay, d0 is indirect dimension encoding delay, d14 stands for evolution after shaped pulse, and dmix (typically d8 in TopSpin) stands for mixing time. Phases: φ1 = [0°, 180°], φ2 = 0°, and φ3 = [0°, 0°, 180°, 180°, 90°, 90°, 270°, 270°], φrec = [0°, 180°, 180°, 0°, 90°, 270°, 270°, 90°]. In SEXSY sequence, the phase φ1 and dmix were selected with a random deviation (: r) up to 5%."/></p>
<p>For T1 relaxation measurements, the sample preparation and handling procedures were the same as described above, except that the iridium catalyst was not added to the solution. The samples were bubbled with H2 at 15 sccm, 7.9 bar, at room temperature for 30–50 min to displace any dissolved air. T1 was measured using conventional inversion recovery sequence (t1ir sequence in Bruker TopSpin).<br/>Corresponding chemical shifts, T1 relaxation times of protons of these substrates, and detailed acquisition parameters are provided in Supporting Information (SI).</p>
<h4><strong>Data Processing</strong></h4>
<p>All spectra were analyzed using spectral data analyzing software Bruker TopSpin (4.0.7), Bruker Dynamics Center (2.5.5), <a href="https://icpms.labrulez.com/library?mainauthorItems=464&amp;search=Mestrenova"><strong>MestReNova</strong></a> (14.2.2), and Origin (2021). Data were modeled using Origin or the MATLAB (R2021a) MOIN spin-library (24) as described in the text. The standard deviation for dissociation rates kd of SEXSY experimental data obtained using models CSS2↔CSS+S and CSS2↔S2 are calculated using the MATLAB nonlinear regression function “nlinfit”. For EXSY experimental data using model CSS2↔S2, dissociation rate deviation was calculated using eq 32 of ref. (44) As instructed, the intensity variances have been estimated by assuming a precision (noise and errors due to signal overlapping) of 10% for diagonal and cross peaks.</p>
<p>...</p>
<h3><strong>Conclusions</strong></h3>
<p>The EXSY sequence is generally more time-consuming and less robust than the SEXSY sequence. Lower spectral resolution in indirect dimension in EXSY reduces the precision of spectral integration. However, it has benefits at higher temperatures where rapid chemical exchange occurs during the selective pulse of SEXSY. Therefore, SEXSY is preferable and more accurate than EXSY for a relatively slow exchange compared to the selective excitation pulse duration. Both SEXSY and EXSY sequences could not be applied to acetonitrile and metronidazole (data not shown here) as the substrate 1H chemical shifts almost do not change upon association with IrIMes. In such cases, or when deuterium labeling is used to prolong relaxation, one should use heteronuclei labeling and EXSY, spin order transfer, or a combination of both. (35)</p>
<p>Using two different exchange models, three approaches for fitting SEXSY and one approach for fitting EXSY experiments, we obtained comparable exchange rates. We demonstrated a connection between the complete SABRE model CSS2↔CSS+S and the reduced model CSS2↔S2 often used for the polarization transfer simulations. (23) As a result, we identified some new limitations for using the CSS2↔S2 model: effective lifetime of the complex and mass balance conditions cannot be immediately satisfied. An ideal solution for spin-dynamic simulations would be to use the model CSS2↔CSS+S; however, such an approach is slow because this model is inevitably nonlinear, and we do not have sufficient information on the elusive intermediate CSS. An important aspect is that for bidentate ligands like pyruvate (13) the exchange model C0S↔S, the often-used SABRE model, should work without any identified restraints. Hence, it can be used to optimize spin order transfer to pyruvate, which was already utilized for in vivo imaging. (41,42)</p>


Modeling Ligand Exchange Kinetics in Iridium Complexes Catalyzing SABRE Nuclear Spin Hyperpolarization

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in week 35, 2024? Check out new documents from the field of spectroscopy, especially ICP/MS techniques!</strong></p><blockquote><h4>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT ICPMS AND RELATED TECHNIQUES</strong></a></h4></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 to you a poster from <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/568"><strong>ASMS 2024</strong></a> by <strong>Agilent Technologies</strong>, applications by <strong>Shimadzu</strong>, <strong>Thermo Fisher Scientific</strong>, and <strong>Metrohm</strong>!</p><h4><strong>1. Agilent Technologies: </strong><style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_8900_esi_microfast_yeast_asms_2024_wp774_en_agilent_06b2ce4cfb.pdf"><strong>Elemental Analysis in Yeast Cells and Selenium Enriched Yeast Cells by ICP-MS with Automated Micro-Flow Sample Introduction</strong></a></h4><ul><li>poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296"><strong>ASMS 2024</strong></a></li></ul><p><strong>Introduction: </strong>Nanoparticle and single cell elemental analysis by ICP-MS has become popular in recent years due technological advancements in ICP-MS, as well as increasing needs for many other advancing fields of applications (1). In the current study, an automated, micro-flow autosampler in combination with an Inductively Coupled Plasma-Mass Spectrometry (ICP-MS) is used in the elemental analysis of nanoparticles and yeast cells. The sample introduction system is designed to deliver intact single cells or cell clusters to the plasma, while the ICP-MS offers high sensitivity for elemental determination within the cell or cell cluster. The preliminary results from this current study can potentially be applied to other applications, offering an easy and efficient way for high-throughput sample analysis.</p><p><strong>Conclusions:</strong> There is good agreement in the number of detected cells that contained the four elements, confirming the feasibility of the scICP-MS method for the measurement of multiple elements in single cells.</p><h4><strong>2. </strong><style type="text/css"></style><strong>Shimadzu: </strong><style type="text/css"></style><style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00718_en_8760c1a035.pdf"><strong>Screening Analysis of 24 Elemental Impurity Elements in Drugs Using ICPMS-2040/2050</strong></a></h4><ul><li>Application</li></ul><p><strong>User Benefits</strong></p><ul><li>Controlled elements can be verified by a screening analysis of 24 elemental impurity elements.&nbsp;</li><li>Use of the preset method in LabSolutions™ ICPMS makes it possible to begin the analysis simply without laborious study of conditions.</li><li>Study of candidate elements for internal standard correction is possible.</li></ul><p><strong>Introduction:</strong> The ICH Q3D Guideline for Elemental Impurities 1) establishes permitted daily exposure (PDE) levels for 24 elements of toxicological concern. The elementsthat should be considered in risk assessments differ, depending on the administration route of the drug product. For oral preparations, only seven elements of Class 1 and 2A should be considered, except for the intentional addition of elements such as catalyst utilization during synthesis. However, the origins of contamination by elemental impurities are diverse, including not only the components of the drug substance and additives, but also manufacturing equipment and implements. Therefore, a screening analysis was carried out for all 24 elements, considering potential elemental impurities. In addition, when internal standard correction is to be used, as in a related article a, the content of candidate internal standard elements in the specimens must be verified in advance. In this article, a simple concentration analysis of the 24 elements in a drug product as elemental impurities was carried out using the preset method for screening analysis of drug products, which is included in the ICPMS-2040/2050 (Fig. 1). The concentration of the elements used in internal standard correction in the drug was also measured, and it was found that the elements can be used in correction.</p><p><strong>Conclusion:</strong> In this article, a simultaneous screening analysis of 24 elemental impurity elements in an oral drug product and candidate elements for internal standard correction was carried out using an ICPMS-2040/2050. The time and work necessary in study and registration of the analysis conditions and measured masses of the large number of elements in this experiment can be greatly reduced by using the preset method of the LabSolutionsICPMS software.</p><h4><strong>3. </strong><style type="text/css"></style><style type="text/css"></style><strong>Thermo Fisher Scientific: </strong><style type="text/css"></style><style type="text/css"></style><style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an41218_oe_basic_inclusion_analysis_en_024ffa9f51.pdf"><strong>Iron and steel - ARL iSpark Plus Optical Emission Spectrometer - Basic inclusion analysis</strong></a></h4><ul><li>Application</li></ul><p><strong>Benefits&nbsp;</strong></p><ul><li>Ultra-fast evaluation of some main inclusion types</li><li>Close to real-time inclusion check in up to hundreds of samples a day</li><li>More effective control of inclusiondependent steel properties</li><li>Helps reduce the number of costly issues caused by inclusions</li></ul><p><strong>Basic inclusion analysis</strong></p><p>Non-metallic inclusions dramatically affect steel properties and cause process issues like nozzle clogging. The costs associated with bad steel properties, process issues or customer complaints may amount to several hundred thousand dollars every year. Controlling the formation and the modification of non-metallic inclusions has therefore become essential to the production of modern steels as demanded by today’s markets.</p><p>The Thermo Scientific ARL iSpark Plus is a high-end metal analyzer that allows precise and accurate elemental analysis of steel. It also enables ultra-fast analysis of non-metallic inclusions, enabling a steel plant to control steel quality and production process even more effectively, and considerably reduce the costs associated with unwanted inclusions.</p><p>The Basic Inclusion Analysis Spark-DAT (Spark Data Analysis and Treatment) option is the entry-level method for standard inclusion analysis in low alloy steel. It reports the amounts of some of the most common types of non-metallic inclusions together with the elemental concentrations, helping steel plants to guarantee the quality and the properties of the steel product, as well as the smooth running of the production process.</p><p>Principles and details on Spark-DAT inclusion analysis can be found in the application note of the Standard Inclusion Analysis (AN41219).</p><h4><strong>4. </strong><style type="text/css"></style><style type="text/css"></style><style type="text/css"></style><strong>Metrohm: </strong><style type="text/css"></style><style type="text/css"></style><style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_nir_118_download_7c2174fc54.pdf"><strong>Quantification of cotton content in textiles by near-infrared spectroscopy</strong></a></h4><ul><li>Application</li></ul><p><strong>Fast, non-destructive determination of cotton with NIRS</strong></p><p>Cotton and polyester are two of the most popular fabrics for creating garments. Polyester is a synthetic material produced from petrochemical products, and cotton is a natural and sustainable fiber harvested from cottonseeds. Polyester is the best choice for water-resistant, durable apparel, while cotton is better suited for breathable, cool summer clothing. Textile products must be labeled according to their fiber composition. The procedures for the determination of fiber composition include mechanical, chemical, and microscopic methods—all of which are time consuming. In contrast, nearinfrared spectroscopy (NIRS) is a fast and chemicalfree alternative. This Application Note shows how NIR spectroscopy can be used to determine the cotton content in textile products within 30 seconds.</p><p><strong>CONCLUSION</strong></p><p>&nbsp;This Application Note demonstrates the feasibility of NIR spectroscopy to determine the cotton percentage in textile blends quickly and easily. Vis-NIR spectroscopy offers users a fast, cost-effective, and highly accurate alternative to other standard testing methods.</p><p>Additionally, NIRS analysis is non-destructive, completely reagent-free, and gives results in only 30 seconds.</p>

News from LabRulezICPMS - Library Week 35, 2024

<p><strong>In the week from September 2, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4></blockquote><blockquote><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>3 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Thermo Fisher Scientific: Increasing Lab Productivity with Thermo Scientific iSC-65 with StepAhead for ICP</strong></h5><ul><li>Mo, 2.9.2024</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4194">Registration</a></li></ul><p>Find out how StepAhead can help you get analysis done quicker and save money!</p><h5><strong>2. C&amp;EN/easyXAFS: Materials Characterization with Lab X-ray Emission Spectroscopy (XES)</strong></h5><ul><li>We, 4.9.2024 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4217">Registration</a></li></ul><p>In this session, we will highlight laboratory XES capabilities in two energy regimes: hard X-ray (4.5-20 keV) and tender X-ray (2-5 keV).</p><h5><strong>3. Agilent Technologies: Demystifying USP &amp; ICHQ3D Guidelines for Elemental Impurities</strong></h5><ul><li>Th, 5.9.2024 11:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4202">Registration</a></li></ul><p>Elemental impurities as per USP 232/USP 233 and ICHQ3D.</p><h5><strong>4. Metrohm: Latest Innovations in Near-Infrared Spectroscopy and how they can be a Game Changer for your Routine Analysis</strong></h5><ul><li>Th, 5.9.2024 11:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4242">Registration</a></li></ul><p>After a quick recap of the basics of NIR spectroscopy, we will show features like automatic model development, precise temperature control, and more that bring good vibrations to the QC laboratory.</p>

Webinars LabRulezICPMS Week 36/2024

<p><strong>In the week from September 9, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4></blockquote><blockquote><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>3 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. C&amp;EN/Repligen: Maximize Downstream Control and Efficiency with In-line Concentration Measurement</strong></h5><div class="sc-eecb5a47-15 uisAy"><div class="sc-eecb5a47-5 fnfCwD"><ul><li><div class="sc-eecb5a47-16 iJCuZC">Tu, 10.9.2024 17:00 CEST</div></li><li><div class="sc-eecb5a47-16 iJCuZC"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4243">Registration</a></div></li></ul><p>In this webinar we will discuss how the FlowVPX System can be integrated in-line, at different steps in a downstream process.</p></div></div><h5><strong>2. Bruker: XRF Unveiled: Mastering the Art of Sample Preparation</strong></h5><div class="sc-eecb5a47-15 uisAy"><div class="sc-eecb5a47-5 fnfCwD"><ul><li><div class="sc-eecb5a47-16 iJCuZC">Th, 12.9.2024 09:00 CEST</div></li><li><div class="sc-eecb5a47-16 iJCuZC"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4211">Registration</a></div></li></ul><p>In our lab sessions, we will show valuable tips and tricks for various applications and materials. Our experts will answer your questions during our Q&amp;A session.</p></div></div>

Webinars LabRulezICPMS Week 37/2024

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