<p><strong>In the week of July 15, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p>
<blockquote>
<h4><a href="https://lcms.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. Shimadzu Corporation: Fuelling a Sustainable Future: Innovations in Catalyst Analysis</strong></h5>
<ul>
<li>Tu, 16.7.2024, 08:30 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4056">Registration</a></li>
</ul>
<p>Join us to explore the complexities of catalyst analysis and understand its impact on creating a sustainable future.</p>
<h5><strong>2. SCIEX: Automating data processing</strong></h5>
<ul>
<li>Tu, 16.7.2024, 11:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/3856">Registration</a></li>
</ul>
<p>Elevate your analytical expertise with advanced techniques and workflows.</p>
<h5><strong>3. Agilent Technologies: Care and Feeding of Your HPLC System: Preventive Maintenance Tips</strong></h5>
<ul>
<li>Tu, 16.7.2024, 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/3899">Registration</a></li>
</ul>
<p>We’ll provide an overview of the LC system, from solvent bottles to detector, with a focus on preventive maintenance and keeping systems running at optimal performance.</p>
<h5><strong>4. Mettler-Toledo: Multiparameter Analysis for the Lab: from Complexity to Simplicity</strong></h5>
<ul>
<li>We, 17.7.2024, 09:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4099">Registration</a></li>
</ul>
<p>A Live Webinar for Optimizing Workflows for pH, Refractometry, and Density Determination.</p>
<h5><strong>5. Agilent Technologies: Advance Your Peptide Product Commercialization: Quality and Characterization Considerations</strong></h5>
<ul>
<li>We, 17.7.2024, 11:30 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/3991">Registration</a></li>
</ul>
<p>Join us for thought provoking webinar series on the entire value chain of therapeutic peptides.</p>
<h5><strong>6. SelectScience/Thermo Fisher Scientific: HPLC Reloaded: LC-MS Hyphenated Techniques for Biopharma</strong></h5>
<ul>
<li>We, 17.7.2024, 16:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4098">Registration</a></li>
</ul>
<p>Progress, challenges, and learnings from MS-based workflows at Symphogen and overview of a novel mono-disperse ion-exchange technology for strong cation and anion exchanger.</p>
<h5><strong>7. Agilent Technologies: Digitize Your PFAS Workflows with Agilent SLIMS</strong></h5>
<ul>
<li>We, 17.7.2024, 17:00 CET</li>
<li><a href="https://lcms.labrulez.com/webinar/4121">Registration</a></li>
</ul>
<p>SLIMS complements chromatography and mass spectrometry software by automatically importing results and generating reports for review before sharing them with customers.</p>
<h5><strong>8. SCIEX: Detecting and identifying known and novel per/polyfluoroalkyl substances (PFAS) in a marine apex predator</strong></h5>
<ul>
<li>We, 17.7.2024, 19:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/3868">Registration</a></li>
</ul>
<p>Stay on the leading edge of all things PFAS with this enlightening monthly webinar series on testing workflows and cutting-edge technology that will demystify these “forever chemicals”.</p>
<h5><strong>9. Shimadzu Corporation: Harnessing the Power of Collaboration: Shimadzu’s SFC Journey</strong></h5>
<ul>
<li>We, 17.7.2024, 20:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4122">Registration</a></li>
</ul>
<p>Join us as we discuss the introduction of Shimadzu’s Nexera UC analytical SFC systems and the Pharma-focused creation and launch of the Nexera UC Prep semi-preparative SFC systems.</p>
<h5><strong>10. Waters Corporation: Going Beyond the Boundaries of Retaining and Separating Polar Compounds</strong></h5>
<ul>
<li>Th, 18.7.2024, 16:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4107">Registration</a></li>
</ul>
<p>The pain can be minimized by understanding the mechanisms for polar analyte retention and using the proper column designed for these difficult separations.</p>
<h5><strong>11. SelectScience/Metrohm: Athlete-Centric Innovations in Anti-Doping Testing</strong></h5>
<ul>
<li>Th, 18.7.2024, 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4100">Registration</a></li>
</ul>
<p>In this webinar, Gabe Baida of InnoVero will outline the current landscape of anti-doping testing today and the new innovations that are advancing the field.</p>
<h5><strong>12. Waters Corporation: USP Chapter 129 Updates and SEC-MALS</strong></h5>
<ul>
<li>Th, 18.7.2024, 19:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4123">Registration</a></li>
</ul>
<p>USP general chapter &lt;129&gt; Analytical Procedures for Recombinant Therapeutic Monoclonal Antibodies is being revised to include a SE-UHPLC method in addition the existing SE-HPLC method.</p>
<h5><strong>13. C&amp;EN: Integrating Ion Chromatography in a Chemical Manufacturing Environment</strong></h5>
<ul>
<li>Th, 18.7.2024, 19:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4101">Registration</a></li>
</ul>
<p>This webinar will discuss where to start with determining IC as the right tool, how it can replace more tedious methods, and what you’ll need to get started.</p>


 Webinars LabRulezLCMS Week 29/2024

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 1st July 2024? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p>
<blockquote>
<h4>👉 <a href="https://lcms.labrulez.com/library"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></a></h4>
</blockquote>
<blockquote>
<p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p>
</blockquote>
<h4><strong>1. Thermo Fisher Scientific: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_002748_ic_combustion_ic_system_environmental_an002748_na_en_a379c1e9d2.pdf">Screening of PFAS compounds in wastewater using adsorbable organic fluorine with combustion ion chromatography (CIC)</a></strong></h4>
<ul>
<li><p>Application note</p>
</li>
<li><p>Results from U.S. EPA draft Method 1621 Collaboration Study</p>
</li>
<li><p>Keywords: EPA Method 1621, AOF, CIC, PFOA, PFHxS, GAC, Dionex, IonPac AS24 column, PFAS, (per- and polyfluoroalkyl substances), combustion ion chromatography (CIC), adsorbable organic fluorine (AOF), granular activated carbon (GAC)</p>
</li>
</ul>
<p><strong>Conclusion:</strong> This application note demonstrated our results from the multi-laboratory collaboration study of EPA draft Method 1621. This method shows that CIC is an excellent tool to measure AOF andscreen for PFAS in wastewater. Along with its ease of use, RFIC provides more accurate results as fluoride is well separated from the water dip, ensuring optimized automated peak integration. The method is sensitive, with MBs of 1 ng/mL and MDLs of 2.5 ng/mL, and accurate, with recoveries of 80–120%. Together, these data highlight the power of CIC in eliminating the sample matrix and measuring only the adsorbable organically bound fluorine content in samples, successfully achieving the goals outlined in EPA draft Method 1621.</p>
<h4><strong>2. Metrohm: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_cic_035_download_032bfd1511.pdf">Halogens and sulfur in solid samples according to EN 17813</a></strong></h4>
<ul>
<li>Application note</li>
<li>Rapid analysis with combustion ion chromatography (CIC)</li>
</ul>
<p><strong>Conclusion:</strong> Combustion ion chromatography is a straightforward analytical technique to determine halogens and sulfur in environmental and solid matrices. The ceramic setup is especially suitable for CIC analysis of sample matrices with high amounts of alkali metals and/or alkaline earth metals. With the ceramic setup, the robustness of the analysis and the lifetime of consumables is drastically improved. The ease-of-use is further advanced by the possibility to inject different sample volumes – depending on the analyte concentration in the samples – to guarantee that these fit into the calibration range.</p>
<p>Overall, users of this whole validated procedure profit from easy and standardized handling, the precise determination of the analytes, automatic eluent roduction, calibration, and results calculation, low maintenance, and a single-manufacturer setup.</p>
<h4><strong>3. Waters Corporation: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008215_en_4dd8a24507.pdf">Cyclic™ Ion Mobility Unravels Sites of Chemically Induced Deamidation</a></strong></h4>
<ul>
<li>Application note</li>
</ul>
<p><strong>Abstract:</strong> Acid deamidation can mimic the action of tissue transglutaminase in deamidation of specific peptide glutamine residues, and possibly increase the immunotoxicity of the deamidated gluten food ingredient and convey an increased risk to those with coeliac disease. Peptides with multiple deamidation sites may co-elute under the same chromatographic peak and therefore other methods of site determination are required such as ion mobility mass spectrometry, increasing confidence in profiling these post-translational modifications (PTMs).</p>
<h4><strong>4. Waters Corporation: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008330_en_3f714eaa91.pdf">Sample Preparation and Analysis Workflow to Address the PFAS Primary National Drinking Water Regulation</a></strong></h4>
<ul>
<li>Application note</li>
</ul>
<p><strong>Abstract:</strong> The newly announced PFAS National Primary Drinking Water Regulation has set enforceable levels of six PFAS compounds in drinking water for the first time in the United States. Regulatory levels of individual compounds range from 4–10 ng/L (or ppt). The Waters™ PFAS Solution for sample preparation through sample analysis is presented to make implementation of the new PFAS regulations straightforward and accurately reach far below the lowest regulated Maximum Contamination Level of 4 ng/L.</p>
<h4><strong>5. Agilent Technologies: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_catecholamine_ultivo_poroshell_5994_7446en_agilent_e7e1512a7d.pdf">Determination of Catecholamines by Agilent Ultivo LC/TQ with an InfinityLab Poroshell 120 Aq‑C18 Column</a></strong></h4>
<ul>
<li>Application note - Clinical Research</li>
</ul>
<p><strong>Abstract:</strong> In this application note, a quantification method was established for catecholamines (3-MT, DA, E, NE, MN, and NMN) using the Agilent Ultivo liquid chromatography/triple quadrupole mass spectrometer (LC/TQ) system with a newly developed Agilent InfinityLab Poroshell 120 Aq-C18 column. The Poroshell 120 Aq-C18 column shows good performance with baseline separation of these six catecholamine compounds. The validation test results give a wide linearity range of 5 to 500 pg/mL in bovine serum albumin (BSA) matrices with excellent accuracy.</p>
<h4><strong>6. Shimadzu: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_ssi_lcms_156_en_671b194ea2.pdf">Oligonucleotide Characterization for Quality Control on the Shimadzu Single Quad Mass Spectrometer LCMS-2050</a></strong></h4>
<ul>
<li>Application News</li>
</ul>
<h5>User Benefits:</h5>
<ul>
<li>The Shimadzu LCMS-2050 single quadrupole mass spectrometer and SPD-M30A photodiode array detector offer a straightforward workflow for quantitating oligonucleotides, streamlining the analysis process.</li>
<li>Confident mass confirmation can be obtained over a wide mass range of nucleotide oligomers.</li>
<li>The Shimadzu LCMS-2050 enables the detection and identification of lower levels of impurities commonly found in synthetic oligomers.</li>
</ul>
<h4><strong>7. Shimadzu: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c197_e004_1a77445226.pdf"><strong>Ion Chromatography Solutions for Environmental Analysis</strong></a></strong></h4>
<ul>
<li><p>Guide</p>
</li>
<li><p>Overview of Environment Analysis</p>
</li>
<li><p>Relevance of Ion Chromatography in Environmental Analysis</p>
</li>
<li><p>Overview of Ion Chromatography</p>
</li>
<li><p>Introduction of Ion Exchange Chromatography</p>
</li>
<li><p>Shimadzu’s Ion Chromatography Solutions</p>
</li>
<li><p>LabSolutions Software</p>
</li>
<li><p>Lineup of Columns</p>
</li>
</ul>


News from LabRulezLCMS Library Week 27, 2024

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 15th July 2024? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p>
<blockquote>
<h4>👉 <a href="https://lcms.labrulez.com/library"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></a></h4>
</blockquote>
<blockquote>
<p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p>
</blockquote>
<p>This week we bring to you poster presentations from <a href="https://lcms.labrulez.com/events/568"><strong>ASMS 2024</strong></a> by <strong>Agilent Technologies</strong>, <strong>Shimadzu</strong>, <strong>Thermo Fisher Scientific</strong>, and <strong>Waters Corporation</strong>!</p>
<h4><strong>1. Agilent Technologies: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_fluoromatch_asms_2024_tp113_en_agilent_93ee360315.pdf">Leveraging the MS1 Dimension and Formula Prediction in Non-Targeted Analysis of PFAS using New FluoroMatch Algorithms: Assessing Confidence and Coverage</a></strong></h4>
<ul>
<li>poster - ASMS 2024</li>
</ul>
<p><strong>FluoroMatch Covers the Entire Data-Processing Workflow, and Supports Various Acquisition Modes</strong></p>
<ul>
<li>Data was acquired on an Agilent 6546 LC/Q-TOF for this study to assess PFAS in dried blood spot cards (paper) and blood on dried blood spot cards</li>
</ul>
<p><strong>Conclusions:</strong></p>
<ul>
<li>FluoroMatch can be used to rapidly annotate PFAS in an automatic fashion, determine unknowns and expand annotation using an interactive visualizer. Formula prediction provides a significant benefit by providing evidence for annotation for molecules which are considered tentative using other lines of evidence, or for which the signal is too low to get quality MS/MS.</li>
<li>The FluoroMatch formula prediction algorithm is highly sophisticated and has several new or optimized approaches for formula prediction of fluorine containing compounds. With the additional use of homologous series assigning the predicted formula with the most common motifs for all members of a series, the resulting annotations are highly confident (0% false positives in this case for the four series with confident assignments).</li>
</ul>
<h4><strong>2. Agilent Technologies: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_exd_6545xt_mabs_glycopeptide_asms_2024_mp665_en_agilent_01a5c15cdd.pdf">Peptide Mapping of Tryptic Digests for mAbs using a novel ECD cell on the 6545XT AdvanceBio LC/Q-TOF Mass Spectrometer</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<p><strong>Introduction:</strong></p>
<p>Post-translation modifications (PTMs) on monoclonal antibodies (mAb) play an important role in the safety, efficacy, and binding of a therapeutic to its target [1]. Common examples of PTMs that seek to be identified include glycosylation and phosphorylation. One challenge in the identification of these PTMs is that dissociation techniques such as collision-induced dissociation (CID) can break apart these fragile modifications. Here, we describe the use of an electron-based dissociation technique (ExD) that supplies low-energy electrons for the fragmentation of tryptic digests that contain glycosylation at asparagine consensus sites (NXS/T). The fragmentation of trastuzumab tryptic digest on a 6545XT AdvanceBio LC/Q-TOF using CID is compared to illustrate that CID alone will fragment these labile PTMs.</p>
<p><strong>Conclusions:</strong> The Agilent 6545XT AdvanceBio LC/Q-TOF with ExD cell enables glycopeptide analysis with excellent sequence coverage assessed using MassHunter BioConfirm 12.1</p>
<ul>
<li>LC/MS conditions were optimized to detect low-abundant glycopeptide species from NIST and trastuzumab</li>
<li>MS/MS spectra for glycopeptides using ExD show peptide fragments with intact glycans and excellent sequence coverage along the peptide backbone</li>
<li>For CID mode, no intact glycan fragments are observed. Instead, HexNAc glycan fragment at m/z 204.086 is observed</li>
</ul>
<h4><strong>3. Shimadzu: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ASMS_2024_Th_P_178_e34df60086.pdf">Quantitation of free amino acids in human plasma by Single Quadrupole LC-MS</a></strong></h4>
<ul>
<li>poster - ASMS 2024</li>
</ul>
<p><strong>Introduction:</strong> Amino acids are organic compounds that combine to form proteins. They are typically known as the building blocks of protein. Quantitative analysis of amino acids from biological fluids is of great importance in the clinical diagnosis of inborn errors of amino acid metabolism. The assessment of amino acids in body fluids is needed for the diagnosis and treatment of metabolic diseases. We have here performed a high-throughput method for analysis of amino acids in plasma samples. The method combines classical protein hydrolysis and derivatization with fast separation by UHPLC and detection by a single quadrupole mass spectrometer</p>
<p><strong>Conclusion:</strong></p>
<ul>
<li>Liquid chromatography triple quadrupole mass spectrometry (LCMS/MS) analysis of amino acids is becoming the method of choice by more and more laboratories because of its speed, sensitivity, and increased specificity. Although LC-MS/MS instruments are more selective and sensitive than LC-MS single quadrupole instruments, LC-MS can also be used in the quantitative analysis of amino acids when the necessary conditions are provided.</li>
<li>The required sensitivity and chromatographic separation were achieved with the single quadrupole LC-MS.</li>
<li>The method can quantitatively analyze 37 Amino acids in biological fluids such as plasma in less than 20 minutes.</li>
</ul>
<h4><strong>4. Shimadzu: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ASMS_2024_TP_198_Shimadzu_MALDI_IHC_Benchtop_bad9f3fdc3.pdf">Benchtop Matrix Assisted Laser Desorption Ionization Mass Spectrometry Imaging of Human Tonsil Proteins using MALDI HiPLEX-IHC Probes</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<p><strong>Introduction:</strong></p>
<ul>
<li>MALDI mass spectrometry imaging (MSI) is a versatile technique capable of characterising lipid, polysaccharide, metabolite, pharmaceutical, protein and peptide distributions within a wide variety of samples. Recently, MSI has been combined with commercially available antibody probes containing photocleavable mass-tags (PC-MTs) which target specific proteins in what has been termed MALDIimmunohistochemistry (MALDI-IHC) MSI.</li>
<li>In this study, we show imaging of FFPE human tonsil sections on an entry level benchtop MALDI-8020 using both a multiplex of 6 antibodies and a cancer marker screening panel consisting of a multiplex of 20 antibodies at a stage step size of 30μm, demonstrating a reliable, lowcost approach with good quality results.</li>
<li>Analysis of a follicular hyperplasia tissue sample showed visible differences from normal human tonsil tissue relating to structural features and cell distributions (Fig. 1)</li>
</ul>
<p><strong>Conclusion:</strong></p>
<ul>
<li>We have successfully mapped up to 20 biomarkers with a stage step size of 30µm using a low cost, linear benchtop MALDI-TOF mass spectrometer in conjunction with the Miralys probe kit.</li>
<li>The spectra were well-resolved allowing for clear and specific imaging in both normal and clinically significant samples.</li>
<li>The Shimadzu MALDI-8020 and MALDI-8030 MALDI-TOF mass spectrometers are robust systems with class leading sensitivity and resolution capable of a wide variety of applications including, as demonstrated here, MALDI imaging. These systems can provide an<br/>invaluable contribution to any research laboratory.</li>
</ul>
<h4><strong>5. Thermo Fisher Scientific: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_144_transformation_protac_metabolites_multi_stage_lc_hram_ms_po144_asms2024_en_4db8598a6b.pdf">Confident transformation site localization of PROTAC drug metabolites facilitated by multi-stage fragmentation LC-HRAM-MS</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<h5><strong>Abstract:</strong></h5>
<ul>
<li><strong>Purpose:</strong> Confident characterization of PROTAC drug metabolites for transformation site localization and soft-spot analysis.</li>
<li><strong>Methods:</strong> Drug metabolites were analyzed using MSn fragmentation data acquisition on a Thermo Scientific Orbitrap Ascend Biopharma Tribrid mass spectrometer and data interpretation in Thermo Scientific Compound Discoverer 3.3 SP3 software.</li>
<li><strong>Results:</strong> PROTAC drug metabolism was found to be extensive for the investigated compounds. Among the detected metabolites, several isomeric compounds were found where MSn fragmentation data could be used to reduce ambiguity in the transformation site localization, especially for metabolites with higher molecular weights.</li>
</ul>
<p><strong>Conclusions:</strong></p>
<ul>
<li>The utility of flexible MS data acquisition methods for metabolite identification could be demonstrated with two representative PROTAC compounds, MZ1 and dBET1, which exhibit extensive metabolism in vitro.</li>
<li>MSn fragmentation data helped to enhance the precision of transformation site localization, particularly for isomeric metabolites and those with high molecular weights.</li>
</ul>
<h4><strong>6. Thermo Fisher Scientific: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_145_unleashing_power_ht_dia_orbitrap_exploris_240_ms_accurate_quantitation_po145_asms2024_en_2a2f215fdf.pdf">Unleashing the power of HT-DIA acquisition on Orbitrap Exploris 240 MS – Precise and accurate quantitation at 260 SPD</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<h5><strong>Abstract:</strong></h5>
<p>Assessing and demonstrating the qualitative and quantitative performance of fast data-independent acquisition (DIA) gradients (&lt;270SPD) on a Thermo Scientific Orbitrap Exploris 240 mass spectrometer (MS), Thermo Scientific Vanquish Neo UHPLC system and micropillar array-based 5.5 cm Thermo Scientific µPAC Neo high-throughput HPLC column.</p>
<p><strong>Conclusions:</strong> The performance of a novel high throughput (HT) DIA workflow for label-free quantitation was demonstrated by combining an Orbitrap Exploris 240 mass spectrometer with fast capillary flow chromatography on a high throughput µPAC Neo HPLC column and Vanquish Neo UHPLC system. Key performance criteria of the setup/workflow include:</p>
<ul>
<li>Excellent quantitation accuracy and precision for small amounts of bacterial and fungal proteomes from mammalian background proteomes</li>
<li>Increased sample throughput with minimal impact on the quality of the obtained data and proteome coverage </li>
<li>Outstanding instrument productivity at sample turnover rates up to 250 samples per day </li>
<li>Interlaboratory reproducibility, long-term stability, and robustness essential for large cohort and multi center studies PO002624</li>
</ul>
<h4><strong>7. Waters Corporation: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/2024_asms_hatch_mushroom_coffee_9c919673f3.pdf">NON-TARGETED ANALYSIS OF MUSHROOM-CONTAINING COFFEE PRODUCTS USING ION MOBILITY-HIGH RESOLUTION MASS SPECTROMETRY</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<p><strong>INTRODUCTION:</strong></p>
<ul>
<li>In recent years, the health benefits of mushrooms—including anti-  inflammatory effects1 and improved cognitive function2—have led to huge  growth in the number of food and supplement products containing so-  called &quot;functional&quot; mushrooms.</li>
<li>There is a wide variety of coffee products currently on the market that are blended with extracts from an assortment of different mushroom species.</li>
<li>In this study, we characterized mushroom coffee products containing up to  three mushroom species: chaga, cordyceps, and lion&#39;s mane. The chemical  fingerprints were compared with that of traditional coffee.</li>
</ul>
<p><strong>Conclusion:</strong></p>
<ul>
<li>A series of oligosaccharides were observed in mushroom coffees and  cordyceps capsules, but not chaga or lion’s mane capsules, nor in  traditional coffee. These oligosaccharides may contribute to enhanced  health benefits of mushroom coffee.</li>
<li>Trehalose disaccharide displayed variability among the mushroom  coffees, but was relatively consistent across the cordyceps, chaga, and  lion’s mane capsules.</li>
<li>Taken together, these observations suggest that the extraction process  (and/or the parts of the mushrooms extracted) governs the  oligosaccharide content more than the specific mushroom species  included in a product, though further testing is needed.</li>
</ul>
<h4><strong>8. Waters Corporation: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/2024_asms_sarah_characellides_828ec17fb4.pdf">Ion Mobility Separation Of Marine Natural Products: Characellides from the Deep-sea Sponge Characella pachastrelloides</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<p><strong>Introduction:</strong> <em>Characella pachastrelloides</em> was first described in 1876 as part of a collection of deep-  sea sponges.1 Deep-sea sponges are a source of unique natural products partly due to  the extreme environment they inhabit. This study looks at a group of glycolipopeptides  known as characellides that were isolated from <em>C. pachastrelloides</em> and found to be  bioactive metabolites.2,3 While HRMS can be used for some structural characterization,  full elucidation of natural product structures remains challenging. The ‘gold-standard’  method for structural characterization of natural product compounds is nuclear  magnetic resonance (NMR). However, certain compounds can be difficult to isolate or  at concentrations too low for quality NMR analysis. This study investigates if ion  mobility (IMS) can be another tool for structural assignments of these compounds.</p>
<p><strong>Conclusions:</strong></p>
<ul>
<li>The structurally similar characellide isomers A and B were able to be separated in ion mobility space by utilizing multiple passes in the Cyclic IMS device</li>
<li>The added separation power of IMS led to the discovery of two new compounds with the same molecular formula as Characellides C and D.</li>
<li>Additional related compounds were identified with molecular networking and their CCS values were calculated to give insights into the structural diversity of this unique set of compounds.</li>
</ul>


News from LabRulezLCMS Library Week 29, 2024

<p><strong>In the week of July 22, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p>
<blockquote>
<h4><a href="https://lcms.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. SCIEX: SCIEX OS software summer school - Hardware configuration and instrument verification</strong></h5>
<ul>
<li>Tu, 23.7.2024</li>
<li><a href="https://lcms.labrulez.com/webinar/4155">Registration</a></li>
</ul>
<p>Join us for our summer school series dedicated to enhancing your proficiency with SCIEX OS software.</p>
<h5><strong>2. Agilent Technologies: Decoding LC: Troubleshooting and Maintenance Challenges.</strong></h5>
<ul>
<li>Tu, 23.7.2024</li>
<li><a href="https://lcms.labrulez.com/webinar/4127">Registration</a></li>
</ul>
<p>This exclusive session is designed specifically to address and help you overcome most pressing maintenance and troubleshooting hurdles in HPLC operation.</p>
<h5><strong>3. Bruker: A complete imaging solution with automated workflows using neofleX™</strong></h5>
<ul>
<li>Tu, 23.7.2024</li>
<li><a href="https://lcms.labrulez.com/webinar/4125">Registration</a></li>
</ul>
<p>Learn about MALDI Imaging with neofleX™, the newest benchtop mass spectrometer from Bruker.</p>
<h5><strong>4. Phenomenex: Batch Reproducibility and Effect of Gradient Delay Volume on Separation of Impurities of Chlorhexidine Digluconate</strong></h5>
<ul>
<li>Tu, 23.7.2024 19:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4108">Registration</a></li>
</ul>
<p>The current European Pharmacopeia chlorhexidine digluconate monograph has proved problematic. In this webinar the proposed draft monograph is evaluated.</p>
<h5><strong>5. Bruker: Advancing Multiomics, Biopharma, and MS Imaging - Latest MS Technologies</strong></h5>
<ul>
<li>We, 24.7.2024 06:30 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4153">Registration</a></li>
</ul>
<p>At ASMS 2024, Bruker&#39;s Life Science division unveiled a range of cutting-edge products, including the timsTOF Ultra 2 with significant increases in sensitivity for deep proteome analysis.</p>
<h5><strong>6. Technology Networks/Agilent Technologies/PAL System: Advances in Food and Beverage Testing 2024 - (Day 1)</strong></h5>
<ul>
<li>We, 24.7.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4138">Registration</a></li>
</ul>
<p>Explore the latest knowledge on the safety, authenticity and quality of food and beverages, as well as the technology that supports the critical work done to ensure the integrity of the food supply chain.</p>
<h5><strong>7. Agilent Technologies: Benefits of Co-Solvation Methods for Non-target PFAS Analyte</strong></h5>
<ul>
<li>We, 24.7.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4128">Registration</a></li>
</ul>
<p>This presentation explores the unique advantages of direct inject methods and helps transition from non-target compounds to quantitative actionable results.</p>
<h5><strong>8. Thermo Fisher Scientific: The new Stellar MS - Instrumentation that scales analytical throughput reliably and practically</strong></h5>
<ul>
<li>Th, 25.7.2024 11:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4151">Registration</a></li>
</ul>
<p>With the new Thermo Scientific Stellar MS, it’s now easier than ever to go from discovery to validation with unrivaled quantitation at scale.</p>
<h5><strong>9. Technology Networks: Advances in Food and Beverage Testing 2024 (Day 2)</strong></h5>
<ul>
<li>Th, 25.7.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4139">Registration</a></li>
</ul>
<p>Explore the latest knowledge on the safety, authenticity and quality of food and beverages, as well as the technology that supports the critical work done to ensure the integrity of the food supply chain.</p>
<h5><strong>10. Agilent Technologies: Applications for Predictive Dissolution Testing</strong></h5>
<ul>
<li>Th, 25.7.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/3582">Registration</a></li>
</ul>
<p>With the discussions and initiatives around real-time release testing, we want to look at how this topic could influence what dissolution testing looks like in the future.</p>


 Webinars LabRulezLCMS Week 30/2024

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 22th July 2024? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p>
<blockquote>
<h4>👉 <a href="https://lcms.labrulez.com/library"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></a></h4>
</blockquote>
<blockquote>
<p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p>
</blockquote>
<p>This week we bring to you poster presentations from <a href="https://lcms.labrulez.com/events/568"><strong>ASMS 2024</strong></a> by <strong>Agilent Technologies</strong>, <strong>Shimadzu</strong>, <strong>Thermo Fisher Scientific</strong>, and <strong>Waters Corporation</strong>!</p>
<blockquote>
<p>💡 <strong>Almost 1000 ASMS posters and presentations <a href="https://lcms.labrulez.com/library?mainauthorItems=284">available in the LabRulezLCMS library</a></strong> (unique search and filtering)</p>
</blockquote>
<h4><strong>1. Waters Corporation: <a href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/2023_asms_king_liver_178c54e990.pdf">HIGH THROUGHPUT PLASMA PROFILING OF HUMAN LIVER DISEASE SAMPLES USING RAPID CHROMATOGRAPHY AND A MULTI- REFLECTING TIME-OF-FLIGHT MASS SPECTROMETER</a></strong></h4>
<ul>
<li>poster - ASMS 2024</li>
</ul>
<p><strong>Introduction:</strong> Metabolomics is a valuable research strategy in the determination  FIG. 5  FIG. 1  FIG. 7  FIG. 3  of disease progression, disease stratification, the identification of  biological markers for early diagnosis and for the development of  new therapeutics. Acute-on-chronic liver failure (ACLF) is a  condition characterized by systemic inflammation, multiple organ  failure, and high short-term mortality1. ACLF develops from the  acute decompensation of cirrhosis and currently there is no  biomarker identified for the early diagnosis of this disease.  Therefore, fully understanding the role metabolites and lipids play  in the progression of ACLF and its underlining mechanisms could  greatly help determine new diagnostic markers driving  development of new therapeutics. Investigating biomarkers for  large scale studies requires robust, high-throughput analytical  methods.</p>
<p>Rapid microbore metabolic profiling (RAMMP) methods and  conventional high-resolution mass spectrometry have previously  been shown to considerably reduce analysis time2-3. Here we  compare these methods with a vacuum jacketed column  technology (VJC)4-5 and ultra high-resolution mass spectrometry6  for the analysis of plasma from liver disease patients by reversed-  phase (RP) for lipid and hydrophilic interaction chromatography  (HILIC) for small molecules.</p>
<p><strong>Conclusion:</strong></p>
<ul>
<li>Conventional LC-MS methods used for large cohort studies suffer from batch response variation.  The rapid chromatographic methods reduce this impact and demonstrated reproducible response  across the entire batch of 168 injections per polarity (Fig. 2).</li>
<li>The SELECT SERIES MRT mass spectrometer generated highly accurate mass measurements  (&lt;1 ppm), improving annotation confidence for both lipids and small molecules, including essential  amino acids and carnitines from the HILIC analysis (Fig. 3).</li>
<li>PCA of the RAMMP data showed good analytical reproducibility from the clustered QC samples and  group separation with some overlap between the different disease groups (Fig. 4).</li>
<li>Group comparisons were performed by OPLS-DA where statistically significant features were  highlighted for database annotation (Fig. 5).</li>
<li>A number of lipids classes, particularly lysophosphatidylcholines (LPC), phosphatidylcholines (PC)  and sphingomyelins (SM), showed dysregulation in the diseased samples when compared to healthy  controls and were annotated through Lipostar2 with mass accuracies between 0.1-0.3 ppm (Fig. 6).</li>
<li>For the HILIC small molecule analysis, differences in amino acid response were detected in  comparisons between diseased and healthy controls.</li>
<li>The SELECT SERIES MRT MS achieved mass resolution of 170-200K FWHM at 30 Hz compatible with  RAMMP (a) and VJC (b) methodologies for example lipids, PC36:1 (0.18 ppm) and SM42:3, O2 (0.16  ppm), with the VJC providing better peak shape and resolution of adjacent peaks (Fig. 7)</li>
<li>Comparison of the RAMMP and VJC negative lipid analysis showed very similar distribution of  disease and healthy control groups demonstrating minimal impact on the overall statistics (Fig. 8).</li>
<li>Both RAMMP and VJC methodologies combined with the SELECT SERIES MRT provided highly  accurate reproducible metabolic profiling for a biomarker study, with the VJC providing improved  peak fidelity complemented by the fast scanning high resolution capabilities of the SELECT SERIES  MRT.</li>
<li>This work demonstrated an accurate, reproducible and high throughput metabolomic method for the  rapid screening of a large number of biological samples for biomarker discovery.</li>
</ul>
<h4><strong>2. Thermo Fisher Scientific: <a href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/po_143_characterization_structure_adenopeptin_lc_hram_ms_po143_asms2024_en_7ae893f36c.pdf">In-depth characterization and structure elucidation of non-ribosomal peptides related to adenopeptin using LC-HRAM-MSⁿ</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<h5><strong>Abstract</strong></h5>
<p><strong>Purpose:</strong> Characterization of adenopeptin and related peptaibol analogs in a crude fermentation broth extract using LC-HRAM-MSn to identify adenopeptin congeners and elucidate their structures. Methods: Adenopeptin and its analogs were separated using reversed phase chromatography and analyzed using multi-stage fragmentation on a Thermo Scientific Orbitrap IQ-X Tribrid mass spectrometer. </p>
<p><strong>Results:</strong> Several analogs of adenopeptin differing by one or more methyl groups could be detected and the site of their modification could be narrowed to specific amino acid residues based on their fragmentation patterns.</p>
<h5><strong>Conclusions</strong></h5>
<p>The LC/MS analysis of the crude adenopeptin extract revealed the presence of eight analogs above 0.5% relative MS-abundance, mainly resulting from ”demethylations”, i.e., substitution of Aib for Iva residues. Their modification sites could be determined based on shifts in the fragmentation pattern relative to adenopeptin. Additionally, a potentially crucial substitution of pipecolic acid with proline could be detected and verified based on MS3 spectral evidence for compound 4.</p>
<h4><strong>3. Thermo Fisher Scientific: <a href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/po_146_evaluation_automated_low_flow_lc_ms_setup_po146_asms2024_en_1d935eb142.pdf">Evaluation of an Automated “Quick” Optimization Routine to Streamline Low-Flow LC-MS Setup</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<h5><strong>Abstract</strong></h5>
<p><strong>Purpose:</strong> When setting up low flow LC-MS experiments, a user regularly positions an  emitter at an arbitrary fixed distance from the inlet based on visual alignment. A  prototype ion source featuring an emitter mounted on a 3D motorized stage was used  to evaluate a “quick” optimization strategy used to define the active position for  subsequent LC-MS measurements.</p>
<p><strong>Methods:</strong> The basis of the quick optimization routine was established using m/z- and  position-dependent intensity distributions. The routine was evaluated against two  methods to manually set the emitter position.</p>
<p><strong>Results:</strong> All optimization strategies yielded a statistically equivalent number of protein  and peptide identifications. However, the quick optimization routine yielded superior  peak area reproducibility that translated into significantly better emitter-to-emitter  consistency.</p>
<h4><strong>4. Shimadzu: <a href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/ASMS_poster_PESI_v_DMS_170524_fed75d0c1e.pdf">DPiMS-MS (PESI) combined with vacuum differential mobility spectrometry for rapid forensic analysis.</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<p><strong>Introduction</strong></p>
<ul>
<li>Ambient ionisation (AI) mass spectrometry techniques facilitate rapid turn-around of samples, often in a walk-up format with limited sample preparation, with obvious benefits for forensic applications.</li>
<li>The absence of a chromatographic separation enables sub-minute data acquisition. However, this comes with the cost of greater chance of problems with chemical noise and/or interference between isomeric/isobaric compounds.</li>
<li>One way to remove chemical noise and to separate interfering compounds is to add an ion mobility separation to the method.</li>
<li>Here we implement a novel low pressure differential mobility on a DPiMS-8060 (PESI) system and demonstrate performance for steroids and small molecule drugs in saliva.</li>
</ul>
<p><strong>Conclusion</strong></p>
<ul>
<li>These results demonstrate the potential of vDMS to enhance AIMS by removing chemical noise and separating isobaric species.</li>
<li>DPiMS-vDMS-8060 (PESI) retains the high acquisition speed of PESI while adding an additional dimension of separation.</li>
<li>The additional selectivity may lower the LOQ and reduce false positives.</li>
<li>vDMS-MS methods can be applied in a wide range of complex matrices (e.g. urine, plasma).</li>
</ul>
<h4><strong>5. Shimadzu: <a href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/MP_045_Targeted_quantitative_screening_pesticides_using_high_resolution_DIA_spectral_library_matching_238a221a67.pdf">Targeted quantitative screening pesticides in food matrices using high resolution DIA spectral library matching.</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<p><strong>Overview</strong></p>
<ul>
<li>A single, generic untargeted data independent acquisition (DIA) method was developed for the analysis of extended panels of pesticides in food matrices.</li>
<li>The high-resolution LC-MS/MS method was designed for multi-residue screening and quantitation of pesticides to meet the European Union SANTE 11312/2021 v2 guidelines capable of working with extended target pesticide panels.</li>
<li>The MS and DIA-MS/MS method was applied to quantify a routine panel of pesticides but also included an additional target panel of fungicides for qualitative screening.</li>
</ul>
<p><strong>Conclusions</strong></p>
<ul>
<li>Using a single generic LC-MS and DIA-MS/MS method targeted quantitation using ion ratio confirmation (to meet the EU SANTE guidelines) and extended search capabilities with library identification were supported.</li>
<li>The method results in the quantitation of &gt;250 pesticides at or below the default MRL concentration (10 µg/kg).</li>
</ul>
<h4><strong>6. Shimadzu: <a href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/MP_045_Targeted_quantitative_screening_pesticides_using_high_resolution_DIA_spectral_library_matching_238a221a67.pdf">Identification of positional isomers of linoleic acid containing phospholipids involved in pancreatic ductal adenocarcinoma.</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<p><strong>Overview</strong></p>
<ul>
<li>To enhance lipid identification, Oxygen Attachment Dissociation (OAD) MS/MS has been applied to provide double bond specific dissociation, enabling C=C position assignments.</li>
<li>High resolution OAD MS/MS was applied in positive and negative ion mode to provide further confidence in lipid identification in a pancreatic adenocarcinoma biomarker study</li>
</ul>
<p><strong>Conclusions</strong></p>
<ul>
<li>OAD-MS/MS is a high specificity fragmentation technique to enable C=C positional assignments in lipids. Analysis is easy to perform alongside CID-MS/MS and spectra are easy to interpret.</li>
<li>OAD-MS/MS has been applied to structurally characterize lipids found to be potential markers of PDAC in a previous study using high resolution metabolomics analysis by LC-CID-MS/MS and DPiMSᵗᵐ.</li>
<li>The use of this new technology aims to enhance pancreatic cancer research by providing more comprehensive identification needed to understand the biological roles of the lipids identified as potential markers of PDAC.</li>
</ul>
<h4><strong>7. Agilent Technologies: <a href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/po_2dlc_6545xt_monitoring_oxidation_mabs_asms_2024_wp030_en_agilent_77f2bb18d5.pdf">Monitoring oxidation in recombinant monoclonal antibodies at subunit level through two-dimensional liquid chromatography coupled with mass spectrometry</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<p><strong>Introduction:</strong> Oxidation, induced by reactive oxygen species, is a prevalent chemical modification in monoclonal antibodies (mAbs), affecting amino acid residues such as cysteine (C), methionine (M), tryptophan (W), tyrosine (Y), lysine (K), and others (Gupta et al., 2022). Each residue&#39;s oxidation uniquely influences the protein&#39;s structure and function. Methionine is highly prone to oxidation in mAbs, typically resulting in the formation of a methionine sulfoxide product with increased polarity. These methionine residues are found in both the antigen-binding (Fab) and effector activity (Fc) domains of a mAb, with those situated on the surface being particularly susceptible to oxidation (Hageman et al., 2019). The increasing popularity of two-dimensional liquid chromatography (2D-LC) has led to a significant rise in the integration of two complementary chromatographic techniques, coupled with mass spectrometry (MS), aiming to provide comprehensive insights into mAb post-translational modifications (PTMs) (Sarin et al., 2022). The proposed 2D WCX-RP-MS workflow enables the analysis of mAbs at the subunit level, providing an automated analytical platform for characterizing and identifying oxidized regions within both the Fc and Fab domains.</p>
<p><strong>Conclusions:</strong> The oxidized peaks not resolved by 1D methods are successfully resolved by the D2 RPC column with additional HC-LC information. It should be highlighted that the proposed method completely uses MS compatible buffers and is a faster method to identify mAb modification and their correlation in different mAb fragments compared to the tedious bottomup approach. A general mAb bottom-up analysis takes up to 24-48 hours with the risk of sample loss, degradation, and induced modifications. In the present study, sample preparation took only 4-10 hours (depending on oxidation incubation), and sample analysis took only 3 hours. Hence, 7-13 hours is enough for the subunit analysis with a low risk of sample loss and degradation. The present study focuses on oxidation as the chemical modification of interest, but the workflow can be extended to other critical charge modifications easily resolved by the WCX column.</p>
<h4><strong>8. Agilent Technologies: <a href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/po_2dlc_6545xt_monitoring_oxidation_mabs_asms_2024_wp030_en_agilent_77f2bb18d5.pdf">Flash Characterization of mAbs Using a Combination of Reagents via Automated On-Line Microdroplet Reaction</a></strong></h4>
<ul>
<li>Poster - ASMS 2024</li>
</ul>
<p><strong>Introduction:</strong> Recently, an unmodified Agilent Jet Stream ESI source (AJS) was used to demonstrate “Flash Characterization” of mAbs by microdroplet facilitated reductions or enzyme digestions with good reproducibility and high yield 1. These results motivated us to evaluate treatments that combined enzymatic digestion, reduction, and/or deglycosylation of mAb in a single microdroplet experiment. New optimization parameters for the Agilent Injection Program on Agilent 1290 Infinity II LC were presented. Microdroplet experiments, including GlycINATOR ® deglycosylation, the combination of IdeS cleavage and DTT reduction and IdeS cleavage and GlycINATOR ® deglycosylation were examined for reproducibility, intact mAb remaining after treatments and simplified subunit characterization. GlycINATOR is an endoglycosidase that cleaves N-linked glycans and leaves the core GlcNAc residue with or without a fucose on the asparagine. Additional antibodies of Herceptin and sigmamab are also studied with the combination treatment in the microdroplet reaction.</p>
<p><strong>Conclusions:</strong> </p>
<ul>
<li>Flash Characterization of mAbs with an automatic injector, combination treatments, and microdroplet reaction in the AJS source demonstrates simplification, reproducibility, and cost reduction of protein characterization. </li>
<li>Combination treatments are viable with microdroplet reactions to accelerate the reduction, cleavage, and deglycosylation of native IgG1 significantly.</li>
</ul>


News from LabRulezLCMS Library - Week 30, 2024

<p><strong>In the week of July 29, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p>
<blockquote>
<h4><a href="https://lcms.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. SCIEX: Excel strategies for mass spectrometry data analysis</strong></h5>
<ul>
<li>Tu, 30.7.2024 11:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/3857">Registration</a></li>
</ul>
<p>Elevate your analytical expertise with advanced techniques and workflows.</p>
<h5><strong>2. CTC Analytics: Advancing PFAS Analysis: Robotic Automation and Streamlined LC-MS Workflows</strong></h5>
<ul>
<li>We, 31.7.2024 09:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4137">Registration</a></li>
</ul>
<p>This webinar showcases the latest advancements in LC-MS workflows and robotic automation.</p>
<h5><strong>3. Waters Corporation: Exploring Enhanced Macromolecular and Nanoparticle Analysis through the Integration of DLS/ELS/SLS with the ZetaStar Instrument</strong></h5>
<ul>
<li>We, 31.7.2024 11:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4132">Registration</a></li>
</ul>
<p>The DynaPro ZetaStar instrument provides the capability for automated, unattended screening of a large range of sample and buffer conditions, which increases efficiency and reduces time to market.</p>
<h5><strong>4. Separation Science/SCIEX: PFAS Analysis in Food: A Robustness Study in Sensitivity and Stability</strong></h5>
<ul>
<li>We, 31.7.2024 11:30 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4112">Registration</a></li>
</ul>
<p>Learn how cutting-edge mass spec technology can co-exist with stability and robustness. It doesn’t have to be a compromise.</p>
<h5><strong>5. The Analytical Scientist/SCIEX: An approach to streamline and simplify the identification of crucial metabolites from targeted protein degraders</strong></h5>
<ul>
<li>We, 31.7.2024 15:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4110">Registration</a></li>
</ul>
<p>Fragment information from EAD and CID spectra were processed in a single result file to achieve confident structure assignment of and localization of metabolites.</p>
<h5><strong>6. Agilent Technologies: Analysis of Per- and Polyfluoroalkyl Substances in Different Media: Produce, Wastewater, and Air</strong></h5>
<ul>
<li>We, 31.7.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4134">Registration</a></li>
</ul>
<p>This presentation will summarize analytical methods to determine PFAS concentrations in produce from the vicinity of a fluorochemical plant, wastewater, and air near wastewater treatment plants.</p>
<h5><strong>7. Waters Corporation: Structural characterization of functional polymers via light scattering and differential viscometry</strong></h5>
<ul>
<li>We, 31.7.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4111">Registration</a></li>
</ul>
<p>This webinar will explore polymer characterization by multi-angle light scattering (MALS) and differential viscometry, coupled with size-exclusion chromatography or field-flow fractionation.</p>


 Webinars LabRulezLCMS Week 31/2024

<p><strong>In the week of August 5, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p>
<blockquote>
<h4><a href="https://lcms.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: Navigating changes in regulated software environments</strong></h5>
<ul>
<li>Tu, 6.8.2024 08:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4174">Registration</a></li>
</ul>
<p>Changing regulatory landscapes, observations, and considerations when aligning software records with ALCOA+ principles.</p>
<h5><strong>2. SCIEX: SCIEX OS software summer school - Compound optimization</strong></h5>
<ul>
<li>Tu, 6.8.2024 11:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4156">Registration</a></li>
</ul>
<p>Join us for our summer school series dedicated to enhancing your proficiency with SCIEX OS software.</p>
<h5><strong>3. Phenomenex: Solid Phase Extraction Introduction and Theory</strong></h5>
<ul>
<li>Tu, 6.8.2024 19:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4159">Registration</a></li>
</ul>
<p>Understand the benefit of using SPE than other sample preparation techniques.</p>
<h5><strong>4. Agilent Technologies: Analytical Strategies for Uncovering the Biological Burden of &quot;Forever Chemicals&quot;</strong></h5>
<ul>
<li>We, 7.8.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4135">Registration</a></li>
</ul>
<p>Progress and remaining challenges in using high-resolution mass spectrometry (HRMS) to comprehensively capture the total burden of PFASs accumulating in living organisms. </p>
<h5><strong>5. Thermo Fisher Scientific: New ways of targeted translational small molecules quantification</strong></h5>
<ul>
<li>Th, 8.8.2024 11:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4152">Registration</a></li>
</ul>
<p>In this free webinar, Hector shares preliminary data and insights into the critical role of lipids in biochemical processes.</p>
<h5><strong>6. Technology Networks/Bruker: Applying Spatial Multiomics to Degenerative Diseases and Cancer</strong></h5>
<ul>
<li>Th, 8.8.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4183">Registration</a></li>
</ul>
<p>Our speaker will discuss how new MALDI workflows can be used to analyze lipids in degenerative disease and Alzheimer’s models, providing more depth to lipid analysis and contextualizing lipid distribution.</p>
<h5><strong>7. Phenomenex: HPLC Method Development: Practical Approaches for Identifying Equivalent and Orthogonal Columns</strong></h5>
<ul>
<li>Fr, 9.8.2024 19:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4087">Registration</a></li>
</ul>
<p>Learn about physical and chemical properties of common reverse phase stationary phases, Find an understanding and recieve steps for stationary phase selection.</p>


 Webinars LabRulezLCMS Week 32/2024

<p><strong>In the research article recently published in ACS </strong><i><strong>Analytical Chemistry</strong></i><strong> journal the researchers led by Lucie Nováková from the Department of Analytical Chemistry, Faculty of Pharmacy in Hradec Králové, Charles University, present a novel analytical approach for mixtures of natural products.</strong></p><p>This study addresses the complexity of plant extract analysis by developing a holistic two-injection method that integrates <strong>ultrahigh-performance </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?instrumentationItems=38"><strong>supercritical fluid chromatography</strong></a> (<strong>UHPSFC</strong>) with <strong>multimodal ionization tandem mass spectrometry</strong> (<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?instrumentationItems=32"><strong>MS/MS</strong></a>). This method, which does not require manual intervention, significantly improves the efficiency and accuracy of analyzing various small molecules, such as terpenes, flavonoids, and phenolic acids, in plant extracts. The authors applied this method to Eucalyptus sp. extracts, demonstrating its potential as a robust tool for comprehensive plant metabolite analysis.</p><blockquote><h4><strong>The original article</strong></h4></blockquote><blockquote><h5><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.3c03599"><strong>Ultrahigh-Performance Supercritical Fluid Chromatography–Multimodal Ionization–Tandem Mass Spectrometry as a Universal Tool for the Analysis of Small Molecules in Complex Plant Extracts</strong></a></h5><p>Kateřina Plachká, Veronika Pilařová, Štefan Kosturko, Jan Škop, Frantisek Svec, and Lucie Nováková</p><p><i>Analytical Chemistry</i> <strong>2024</strong> <i>96</i> (7), 2840-2848</p><p>DOI: 10.1021/acs.analchem.3c03599</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><h5>Selected sections from the article follow.</h5><h3><strong>Abstract</strong></h3><p>Complex analysis of plant extracts usually requires a combination of several analytical approaches. Therefore, in this study, we developed a holistic two-injection approach for plant extract analysis, which is carried out within one instrument without the need for any manual intervention during the analysis. <strong>Ultrahigh-performance supercritical fluid chromatography</strong> (<strong>UHPSFC</strong>) was employed for the analysis of 17 volatile terpenes on a <strong>porous graphitic carbon column</strong> within 7.5 min, followed by analysis on <strong>short diol column</strong> where flavonoids, phenolic acids, and terpenoic acids were analyzed within 15.5 min. A <strong>multimodal ionization</strong> source <strong>combining </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=electrospray"><strong>electrospray</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=atmospheric+pressure+chemical+ionization"><strong>atmospheric pressure chemical ionization</strong></a> (<strong>ESCi</strong>) was selected for mass spectrometry detection as a simultaneous ionization of both lipophilic and polar compounds was required. The quantitative aspects of the final <strong>UHPSFC-ESI/ESCi-MS/MS two-injection approach</strong> were determined, and it was applied to the <strong>analysis of Eucalyptus sp. extracts</strong> prepared by <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=SFE"><strong>supercritical fluid extraction</strong></a>. Current methods reported in the literature typically require a labor-intensive combination of liquid and gas chromatography for the complex analysis of plant extracts. We present for the first time a new UHPSFC approach requiring only a single instrument that provides an alternative approach to the analysis of complex plant extracts.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Analytical_Chemistry_Analytical_Chemistry_2024_96_7_2840_2848_cover_image_2a6c4c6d6b.jpg" alt="Analytical Chemistry 2024 96 (7), 2840-2848: graphical abstract."></p><h4><strong>Subjects</strong></h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=chromatography"><strong>Chromatography</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=Flavonoids"><strong>Flavonoids</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=Hydrocarbons"><strong>Hydrocarbons</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=Ionization"><strong>Ionization</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=Solvents"><strong>Solvents</strong></a></li></ul><h3><strong>Experimental Section</strong></h3><h4><strong>Chromatographic Conditions</strong></h4><p>All experiments were carried out using the supercritical fluid chromatography system <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?instrumentationItems=38&amp;mainauthorItems=5&amp;search=Acquity+UPC2"><strong>Acquity UPC2</strong></a> (Waters, Milford, MA, USA) equipped with a binary pump, an autosampler, a column thermostat, a back pressure regulator (BPR), and a PDA detector. The system was coupled to a triple quadrupole mass spectrometer <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?instrumentationItems=38&amp;mainauthorItems=5&amp;search=Xevo+TQ-XS"><strong>Xevo TQ-XS</strong></a> (Waters) via a commercially available SFC-MS dedicated pre-BPR splitter device with an additional isocratic or binary pump for makeup solvent delivery (Waters).</p><p>Several stationary phases were tested during optimization including Viridis BEH (hybrid silica), Viridis BEH 2-ethylpyridine (2-EP), Torus 2-picolylamine (2-PIC), Viridis HSS C18 SB (C18), Torus 1-amino anthracene (1-AA), all in 3.0 × 100 mm, 1.7 μm, Torus Diol (diol) (3.0 × 50 mm and 100 mm, 1.7 μm), BEH HILIC (2.1 × 100 mm, 1.7 μm), CORTECS HILIC (silica) (3.0 × 100 mm, 1.6 μm), all from Waters, YMC Carotenoid C30 (4.6 × 100 mm, 5 μm) from YMC (Dinslaken, Germany, and porous graphitic carbon (PGC) columns Hypercarb (3.0 × 50 mm and 100 mm, 3.0 μm, Thermo Fisher Scientific Inc., Waltham, MA, USA) and Supel Carbon LC (3.0 × 150 mm, 2.7 μm, Merck KGaA, Darmstadt, Germany). Analyses were carried out using methanolic organic modifiers with or without an additive that included 10 mmol/L ammonia, 5% water, and 10 mmol/L formic acid. Final chromatographic conditions were as follows: Method 1: 150 mm Supel Carbon LC column at 60 °C, BPR pressure at 3300 psi (22.75 MPa), flow rate 1.5 mL/min, MeOH as organic modifier in gradient elution: 0% for 1.5 min, 0–40% in 1.5–4.0 min, 40–41% in 4.0–6.0 min, followed by 1.5 min equilibration at starting conditions. Method 2: 50 mm Torus Diol column at 20 °C and 5% water in MeOH as organic modifier with specific gradient conditions listed in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.3c03599#tbl1"><strong>Table 1</strong></a>. The partial loop with needle overfill injection mode was used to inject 2 and 10 μL samples for methods 1 and 2, respectively. The autosampler was cooled to 5 °C to reduce the evaporation of volatile compounds.</p><h4><strong>MS Conditions</strong></h4><p>The four ionization sources, ESI, APCI, multimodal ESCi, and US, all from Waters were tested. MassLynx Software 4.1 was used for MS control, data acquisition, and processing. Optimization of the ionization sources conditions was carried out using a design of experiment (DoE) approach, followed by the optimization of the makeup solvent composition and flow rate. The makeup solvents tested included pure MeOH and MeOH with various additives, such as water, ammonia, formic acid, and their combinations in different concentrations. The makeup solvent flow rate was tested in the range of 0.0–0.6 mL/min. Selected reaction monitoring (SRM) transitions were determined for each analyte (Supporting Information S2), and their selectivity was verified. MODDE Software 13.0.1 was used to design the experiments for the ion source optimization and subsequent data evaluation. The parameters tested and their respective ranges for each ionization source are listed in Table 2. The DoE were selected as a compromise between the number of experiments required and the power of the study. Three replicates were always included to test the repeatability of the model. The data evaluation included its logarithmic transformation when necessary and the exclusion of outliers to achieve the highest possible linearity (R2), model validity, predictability (Q2), and reproducibility. The limits for the applicable model were set according to the MODDE software: R2 showing model fit &gt;0.5, Q2 estimating future prediction precision &gt;0.1 for significant model and &gt;0.5 for a good model, reproducibility &gt;0.5. Model validity tests diverse model problems and should be &gt;0.25. However, model validity can be lost for very good models with Q2 &gt; 0.9 due to high sensitivity in the test or extremely good replicates (&gt;0.9). Therefore, model validity was always carefully checked manually. The critical factors (marked with “!“ in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.3c03599#tbl2"><strong>Table 2</strong></a>) were identified as having a significant effect on the model, i.e., contributing more than 50% to the final response. Therefore, these factors were optimized separately, and a second DoE was run.</p><h3><strong>Results and Discussion</strong></h3><p>The aim of this study was to develop a holistic method for the simultaneous analysis of compounds typically found in plant extracts, namely, flavonoids, terpenoic and phenolic acids, and terpenes. These compounds include molecules with a wide range of physicochemical properties, from small lipophilic terpenes to polar flavonoids, as listed in Table S1.</p><p>First, a stationary phase had to be selected that would allow the retention of all of the target compounds. We expected that the retention and elution of hydrophilic flavonoids, and especially their glycosylated forms, i.e., rutin, hirsutrin, and hesperidin, would be the main challenge of the UHPSFC-MS method due to the low polarity of the CO₂-based mobile phase. On the other hand, less polar terpenes should be easily retained and eluted. A systematic column screening was carried out on a set of selected stationary phases, including hybrid silica, 2-EP, C18, 2-PIC, and diol with preferred H-bonding and π–π interactions. A generic gradient from 0 to 45% of organic modifier, i.e., MeOH, 10 mmol/L ammonia in MeOH, 10 mmol/L formic acid in MeOH, and 2% water in MeOH, was tested on all five columns. As expected, the addition of water to the organic modifier had a beneficial effect on the elution of polar flavonoids. However, it was necessary to increase the percentage of organic modifiers up to 58% to enable the elution of all target analytes. Unfortunately, these stationary phases were not able to retain most of the lipophilic terpenes, especially those without hydroxy groups. That was surprising as more lipophilic compounds are commonly analyzed by SFC. However, cymene, limonene, pinene, caryophyllene, and citronellal eluted in the dead volume even when using pure CO₂. Volatiles containing hydroxy groups were retained on C18, diol, silica, and 2-EP stationary phases but still coeluted in 1 peak near to the dead volume. Therefore, the retention and separation of terpenes became the main challenge. Accordingly, the 1-AA column with dominant π–π interactions was tested, where the higher retention of nonpolar compounds was expected. This hypothesis was confirmed. However, flavonoids were retained to such an extent that they could not be eluted within a reasonable analysis time under any conditions tested.</p><p>Thus, a holistic approach to the analysis of a plant extract consisting of two UHPSFC methods carried out on two columns and the same system without any manual intervention was developed and tested as a proof of concept. Indeed, most commercially available SFC instruments use a column manager that allows two or more columns to be connected simultaneously. Thus, it is still possible to analyze a complex sample in just two injections, taking advantage of the two stationary phases with different selectivity.</p><h4><strong>Application of UHPSFC-ESI/ESCi-MS/MS Method on Eucalyptus Extracts</strong></h4><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Analytical_Chemistry_Analytical_Chemistry_2024_96_7_2840_2848_Figure_4_Comparison_of_the_percentage_abundance_of_targeted_analytes_i_e_A_terpenes_B_terpenoic_acids_C_16211a715a.jpg" alt="Analytical Chemistry 2024 96 (7), 2840-2848: Figure 4. Comparison of the percentage abundance of targeted analytes, i.e., (A) terpenes, (B) terpenoic acids, (C).jpg"></p><h3><strong>Conclusions</strong></h3><p>UHPSFC-MS/MS is an interesting alternative to LC and GC methods, permitting the analysis of a wide range of compounds with a single instrument. Unfortunately, a single holistic method for the simultaneous analysis of terpenes and polar flavonoids remains unattainable due to two main challenges. No tested stationary phase enabled the retention and elution of both groups of analytes. However, new stationary phases are being introduced to the market every year, which is promising. Second, a universal ionization source combining GC and LC approaches is required for the simultaneous analysis of small lipophilic terpenes and polar glycosylated flavonoids.</p><p>Despite these challenges, we were able to develop a two-injection approach for complex plant analysis as a proof-of-concept based on the ability of the UHPSFC to cover supercritical, subcritical, enhanced-liquid, and liquid conditions within one instrument. Here, volatile terpenes are measured using a PGC stationary phase within supercritical to subcritical conditions achieved by adding up to 40% of MeOH to CO₂. More polar phenolic and terpenoic acids and flavonoids are then analyzed on short diol column with gradient from 0 to 90% MeOH with addition of 5% water.</p><p>The APCI source proved to be beneficial in the case of lipophilic volatiles when compared to ESI, but it was not possible to detect flavonoids using APCI. Conversely, US resulted in higher sensitivity for flavonoids, but similar to ESI, it was not possible to detect terpenes without hydroxy groups. The finally selected multimodal ESCi source was able to detect all targeted volatiles although the sensitivity was significantly lower than in the case of APCI. However, it was possible to switch from ESCi to ESI without any need for manual intervention, which was crucial for the applicability of the developed approach.</p><p>Finally, the quantitative aspects of the two developed UHPSFC-ESI/ESCi-MS/MS methods were determined, and the approach was successfully applied for the analysis of SFE extract from Eucalyptus sp. The novel approach can be beneficial for analysis of complex samples containing analytes with a wide range of physicochemical properties.</p>

Ultrahigh-Performance Supercritical Fluid Chromatography–Multimodal Ionization–Tandem Mass Spectrometry as a Universal Tool for the Analysis of Small Molecules in Complex Plant Extracts

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 29th July 2024? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p>
<blockquote>
<h4>👉 <a href="https://lcms.labrulez.com/library"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></a></h4>
</blockquote>
<blockquote>
<p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p>
</blockquote>
<p>This week we bring to you applications, brochures and specifications from <strong>Agilent Technologies</strong>, <strong>Shimadzu</strong>, <strong>Metrohm</strong>, <strong>Thermo Fisher Scientific,</strong> and <strong>Waters Corporation</strong>!</p>
<blockquote>
<p>💡 <strong>Almost 1000 ASMS posters and presentations <a href="https://lcms.labrulez.com/library?mainauthorItems=284">available in the LabRulezLCMS library</a></strong> (unique search and filtering)</p>
</blockquote>
<h4><strong>1. Metrohm: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_v_240_download_23ff0d3438.pdf">Determination of total iodine in thyroid tablets with polarography</a></strong></h4>
<ul>
<li>Application Note</li>
</ul>
<p><strong>Polarography in pharmaceutical analysis: indirect determination of iodine after dry ashing in a muffle furnace</strong></p>
<p>Thyroid hormones are made by the thyroid gland and play an important role in regulating metabolism and growth. Iodine acts as a building block and the specific number of iodine atoms determines the type of the hormone: four for thyroxine (T4) and three for triiodothyronine (T3). The number of iodine atoms is critical for the functionality of thyroid hormones. Levothyroxine and liothyronine (synthetic forms of thyroid hormones T4 and T3) are essential components of thyroid tablets. T4 is less active and needs to convert to the more active T3 to be fully effective. Accurate iodine determination in thyroid tablets is a crucial quality control measure, ensuring the effectiveness and safety of thyroid treatments. A robust method is introduced for indirect determination of total iodine content in thyroid tablets as iodate, according to United States Pharmacopeia (USP) guidelines using the 884 Professional VA and the Multi-Mode Electrode pro.</p>
<h4><strong>2. Shimadzu: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00749_en_efbfc8887d.pdf">Efficient Preparative Purification Workflow of Synthetic Peptide Using Analytical/Preparative Switching LC-MS System</a></strong></h4>
<ul>
<li>Application Note</li>
</ul>
<p><strong>User Benefits</strong></p>
<ul>
<li>A multi-step seamless preparative purification workflow of synthetic peptides can be performed within a single LC-MS system setup.</li>
<li>LabSolutions MD can provide easy investigation for optimal separation conditions for target compounds.</li>
<li>Target compounds can be purified from crude samples with high purity and high recovery based on the excellent identification capability of LCMS-2050.</li>
</ul>
<p><strong>Introduction:</strong> In the 2000s, biopharmaceuticals such as antibody drugs have emerged but there are many challenges to overcome because of their manufacturing process using genetic technology. Consequently, middle molecule drugs are paid attention, peptide therapeutics, one of middle molecule drugs which have advantages of being manufactured at low cost, easily taken into cells because of theirsmall molecular weight, and prevented from degradation by adopting a specific three-dimensional structure when they are taken into human body. Since such peptides are produced by chemical synthesis like small molecule drugs, it is essential to purify, fractionate, and confirm the purity of the final synthesized product. In this article, we present a case study of multi-step seamless preparative purification workflow (optimizing separation conditions, scaling-up, fractionation, and confirming  (purity/recovery) of a peptide using preparative purification liquid chromatograph Nexera Prep (Fig. 1) based on Application News <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00650_en_f326c9720e/an_01-00650-en.pdf"><strong>01-00650-EN</strong></a> and <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00651_en_d88902f27d/an_01-00651-en.pdf"><strong>01-00651-EN.</strong></a></p>
<p><strong>Conclusion:</strong> The seamless preparative purification workflow can be executed using analytical/preparative switching LC-MS system. In addition, LabSolutions MD can automatically create an analytical batch schedule in which various HPLC parametersettings are examined, resulting in efficient optimization ofseparation conditions. Furthermore, LCMS-2050 enables highly selective fractionation of target compounds based on MS trigger. The analytical/preparative switching LC-MS used in this article has both analytical and preparative flow paths, enabling an efficient preparative purification workflow in the preparative purification of peptide including itssynthesis confirmation process.</p>
<Related Applications>

<ol>
<li>Seamless Purification Workflow from Analytical to Preparative in Single LC-MS System,  <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00650_en_f326c9720e/an_01-00650-en.pdf"><strong>01-00650-EN</strong></a></li>
<li>High Purity Preparative Purification Enabled by UV/MS Trigger on LC-MS System,<a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00651_en_d88902f27d/an_01-00651-en.pdf"><strong>01-00651-EN.</strong></a></li>
</ol>
<h4><strong>3. Shimadzu: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/65237_tn_sfc_infographic_a417cd5f28.pdf">Rewriting the Book on Supercritical Fluid Chromatography</a></strong></h4>
<ul>
<li>Technical Note</li>
</ul>
<p>Fluids become supercritical when they are highly compressed and take on the properties of both a liquid and a gas. Supercritical carbon dioxide (CO₂) can be used as the mobile phase in supercritical fluid chromatography (SFC). Until recently, this technique had been overlooked in favor of high-performance liquid chromatography (HPLC) and gas chromatography (GC). However, new developments in the field have demonstrated that SFC can be a highly cost-effective, accurate and sensitive solution capable of outperforming HPLC and GC. In light of these new technologies, it’s time to reshape the field of chromatography with SFC.</p>
<h4><strong>4. Agilent Technologies: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_size_exclusion_chromatography_1290_infinity_ii_bio_5994_7664en_agilent_585512a949.pdf">Advanced SEC-MALS Analysis of Monoclonal Antibodies with the Agilent 1260 Infinity II Multi-Angle Light Scattering Detector</a></strong></h4>
<ul>
<li>Application Note</li>
</ul>
<p><strong>Abstract:</strong> Size exclusion chromatography (SEC) in combination with multiangle light scattering (MALS) detection enables accurate and reliable separation and molecular weight (MW) determination of monomer and aggregate protein species. The Agilent 1260 Infinity II Multi-Angle Light Scattering detector coupled to the Agilent 1290 Infinity II Bio LC System offers the possibility to measure the intensity of the scattered light at multiple angles to gain more precise absolute MW for the analysis of biopharmaceuticals. The 1290 Infinity II Bio LC is specially designed for conditions used in biochromatography with a completely iron-free flow path and a high tolerance to salt-based buffers such as those used in SEC.</p>
<p><strong>Conclusion:</strong> The possibility of using a MALS detector with 20 angles enables highly precise calculations of absolute molar mass. The MALS detector shows higher sensitivity than UV detection especially for higher protein aggregates, adding valuable information to a conventional SEC setup. The smaller angles allow the determination of higher molecular mass aggregates with high sensitivity and precision. The excellent resolution of the Agilent AdvanceBio SEC 300 Å column enables clear separation of monomer, dimer, higher aggregates, and mAb fragments, leading to unique MW determinations for the separated peaks. The combination of the Agilent 1290 Infinity II Bio LC System with the Agilent 1260 Infinity II Multi-Angle Light Scattering detector provides a complete biocompatible flow path to ensure trusted results for challenging solvent conditions or iron-reactive samples.</p>
<h4><strong>5. Agilent Technologies: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/te_evaluation_rohs_compliant_ion_injectors_5994_7613en_agilent_1dfe200fad.pdf">Evaluation of Agilent RoHS-Compliant LC/MS Ion Injectors</a></strong></h4>
<ul>
<li>Technical Note</li>
</ul>
<p><strong>Introduction:</strong> Recently, governments across the globe have started to reduce the use of hazardous materials in electronic components. Specifically, the Restriction of Hazardous Substances in Electrical and Electronic Equipment (RoHS) Directive in the European Union has been driving this effort. The Agilent resistive ion injector has been updated to a leaded glass–free, RoHS-compliant-without-exemption part for use in Agilent LC/MS quadrupole instruments that do not have an ion funnel. The ion injector acts to pull desolvated ions from the desolvation chamber into the MS (Figure 1). In doing so, the ions are culminated into a single, narrow beam, allowing the MS to separate the ions according to their mass-to-charge ratio (m/z). The ion injector is resistive, which allows for fast polarity mode switching, and has metal contacts at either end for electrical connection to the MS. In this technical overview, the performance of the Agilent RoHS ion injectors was compared to that of their respective legacy ion injector models (Table 1).</p>
<p><strong>Conclusion:</strong> In this technical overview, the Agilent RoHS-compliant ion injectors were compared to their respective Agilent legacy ion injectors. The studies presented in this technical overview demonstrate equivalent functionality between the legacy and RoHS ion injector models. Specifically, tune performance was shown to be equivalent between RoHS and legacy ion injectors, and lifetime performance under acidic and basic conditions was also shown to be comparable between RoHS and legacy ion injections, including at high mass on the Agilent 6545XT AdvanceBio LC/Q-TOF. Moreover, IDLs and S/N were within specifications on multiple of the tested RoHS ion injectors. Furthermore, the RoHS ion injectors held up to 10,000 injections of bovine urine and maintained tune criteria throughout, demonstrating excellent robustness. Finally, no differences in performance were observed on two different MS platforms when running target pharmaceuticals, both in neat samples and diluted human urine. In conclusion, the RoHS Agilent FS and Agilent Ultivo and MSD iQ ion injectors are suitable drop-in replacements for the legacy Agilent FS and Agilent Ultivo ion injectors.</p>
<h4><strong>5. Waters Corporation: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/2024_pegs_hanna_peptidworkskit_ce7f104856.pdf">PEGS: SIMPLE AND AUTOMATABLE SAMPLE PREPARATION FOR TRYPTIC PEPTIDE MAPPING WITH THE PEPTIDEWORKS KIT</a></strong></h4>
<ul>
<li>Poster, PEGS 2024</li>
</ul>
<p><strong>NTRODUCTION</strong></p>
<p>Reliable day-to-day sample preparation is a  critical factor in generating an effective  peptide mapping method. Sample  preparation for peptide mapping can result in  method-induced peptide modifications, over-  or under-digestion of the protein, and  autolysis of the proteolytic enzyme, each of  which complicate data analysis and  interpretation.</p>
<p>Waters’ PeptideWorkTryptic Protein  Digestion Kits deliver fast and reliable  sample preparation for routine peptide  mapping of therapeutic proteins. The sample  preparation kit is centered around  RapiZymTrypsin, Waters’  homogeneously methylated, recombinant  trypsin. RapiZyme Trypsin enables speed,  digestion fidelity, and low levels of trypsin-  derived peptides through its autolysis  resistance, purity, and high activity.  RapiZyme Trypsin can be used at high  concentrations to achieve faster digestions  without requiring high temperatures or  sacrificing digestion completeness.</p>
<p><strong>CONCLUSION</strong></p>
<ul>
<li>Comprehensive kit and protocol for  preparation of tryptic protein digests </li>
<li>Automatable preparation of 24 samples in  under 2.5 hours</li>
<li>Reproducible sample prep without  sacrificing digestion completion or  generating high levels of method-induced  peptide modifications </li>
<li>93% reduction in missed cleavages and  55% reduction in non-specific cleavages  compared to a leading immobilized trypsin  digest kit</li>
<li>Suitable for peptide mapping of ADCs</li>
</ul>
<h4><strong>6. Thermo Fisher Scientific: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_002998_ic_ms_integrion_isq_ec_environmental_water_an002998_na_en_b7542bd84c.pdf">Determination of selenite and selenate in environmental waters by ion chromatography-mass spectrometry (IC-MS)</a></strong></h4>
<ul>
<li>Application note</li>
</ul>
<p><strong>Keywords:</strong> Single quadrupole mass spectrometer, Dionex Integrion HPIC, Dionex IonPac AS11-HC column, ISQ-EC, ADRS 600 suppressor</p>
<p><strong>Goal:</strong> To develop a method to determine selenite and selenate in spiked environmental water by coupling ion chromatography (IC) with single quadrupole mass spectrometry.</p>
<p><strong>Conclusion:</strong> An IC-MS method that enables the determination of selenium species in simulated contaminated environmental waters was developed. The reagent-free ion chromatography system provides excellent reproducibility, yielding exceptional quantification accuracy and consistently reliable results. Recoveries for selenite and selenate in the three water samples ranged between 90–110%, with a method LOD of 4 and 2 µg/L for selenite and selenate, respectively. This method is helpful for highly selective screening of selenium species at µg/L levels in environmental waters. Although not with the same sensitivity as IC-ICP-MS, it offers the advantage of selectively identifying selenium species through their m/z ratio. Moreover, this method enables determining whether drinking water exceeds the EPA&#39;s outlined MCL of 50 ppb for selenium contamination.</p>
<h4><strong>7. Thermo Fisher Scientific: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_002998_ic_ms_integrion_isq_ec_environmental_water_an002998_na_en_b7542bd84c.pdf">Size-exclusion chromatography of adeno-associated viruses with the SurePac Bio 550 SEC MDi column</a></strong></h4>
<ul>
<li>Application note</li>
</ul>
<p><strong>Keywords:</strong> Biopharmaceutical, size-exclusion liquid chromatography, SEC, adeno-associated virus, AAV, monomeric capsids, high molecular weight species, HMWS, 3 µm SurePac Bio 550 SEC MDi column, monodisperse</p>
<p><strong>Key benefits</strong></p>
<ul>
<li>High-resolution separation of monomeric AAV and aggregates by size-exclusion liquid chromatography within 4 minutes</li>
<li>Utilizing UV and fluorescence detection for easy and conclusive confirmation of peak identities</li>
<li>Resolution of aggregate and monomer peaks preserved even for injection of large volumes</li>
<li>Consistent lot-to-lot and column-to-column performance</li>
</ul>
<p><strong>Goal:</strong> To demonstrate baseline separation of adeno-associated virus (AAV) monomeric capsids and high molecular weight species (HMWS) using a 4.6 × 150 mm sizeexclusion liquid chromatography column packed with 3 µm monodisperse silica particles with a 550 Å pore size.</p>
<p><strong>Conclusions</strong></p>
<ul>
<li>The SurePac Bio 550 SEC MDi column delivers baseline resolution of AAV monomer and aggregate peaks in less than 4 minutes.</li>
<li>The SurePac Bio 550 SEC MDi column consistently delivers reliable separation of AAV across different lots.</li>
<li>Careful optimization of flow rate, sample loading amounts, and buffer conditions is crucial for achieving accurate and consistent results in SEC AAV separation.</li>
<li>The SurePac Bio 550 SEC MDi column outperforms other commercially available columns in AAV analysis, displaying advantages such as sharper peaks, improved resolution, and lower operational pressure</li>
</ul>


News from LabRulezLCMS Library - Week 31, 2024

<p><strong>In the week of August 12, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p>
<blockquote>
<h4><a href="https://lcms.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/ Analytik Jena: Revolutionize drug discovery with high throughput mass spectrometry and automated pipetting</strong></h5>
<ul>
<li>Tu, 13.8.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4160">Registration</a></li>
</ul>
<p>The CyBio Well Vario pipetting device by Analytik Jena enhances MALDI spotting and sample optimization, seamlessly integrating with Bruker MS solutions to overcome application-specific bottlenecks.</p>
<h5><strong>2. Shimadzu Corporation: Elevating Pharma 4.0: Harnessing CaliberLIMS For Digital Excellence</strong></h5>
<ul>
<li>We, 14.8.2024 08:30 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4163">Registration</a></li>
</ul>
<p>CaliberLIMS is a robust, scalable, and reliable platform designed to meet the demands of modern laboratories aiming for Pharma 4.0.</p>
<h5><strong>3. Waters Corporation: In-Line and On-Line Monitoring of CQAs for Biologics, Vaccines and Gene Vectors</strong></h5>
<ul>
<li>We, 14.8.2024 11:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4176">Registration</a></li>
</ul>
<p>Principles, capabilities and limitations of RT-MALS, and then present case studies covering downstream processing of viral vectors, proteins, polysaccharides and lipid nanoparticles.</p>
<h5><strong>4. Metrohm: Accessing Battery Material Properties with Electrochemical Techniques</strong></h5>
<ul>
<li>We, 14.8.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4208">Registration</a></li>
</ul>
<p>This webinar will show examples of methodology, focusing on battery component properties such as the MacMullin number of separators, tortuosity of active material coatings, and electrolyte conductivity.</p>
<h5><strong>5. Agilent Technologies: Effective Use of Method EPA 8327/ASTM D8421/D8535 ‘Direct-Injection’ Techniques to Optimize Rapid TAT and Reduce Overall Project Costs</strong></h5>
<ul>
<li>We, 14.8.2024 17:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4164">Registration</a></li>
</ul>
<p>Pace has developed and validated a ‘direct injection’ approach for PFAS analysis by LC-MS/MS, similar to the protocols described in EPA 8327 and ASTM D8421 &amp; D8535.</p>
<h5><strong>6. Waters Corporation: Multi-attribute quantitation of XDCs with Multi-Angle Light Scattering</strong></h5>
<ul>
<li>We, 14.8.2024 19:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4162">Registration</a></li>
</ul>
<p>In this online seminar, we will demonstrate the value of light scattering in XDC development and its potential application in quality control (QC) as part of a release assay.</p>
<h5><strong>7. SCIEX: Whole blood microsampling methods for PFAS exposure biomonitoring</strong></h5>
<ul>
<li>We, 14.8.2024 19:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/3869">Registration</a></li>
</ul>
<p>Stay on the leading edge of all things PFAS with this enlightening monthly webinar series on testing workflows and cutting-edge technology that will demystify these “forever chemicals”.</p>
<h5><strong>8. Restek Corporation: Method Development Considerations for the LC-MS/MS Analysis of Drugs</strong></h5>
<ul>
<li>We, 14.8.2024 20:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4184">Registration</a></li>
</ul>
<p>In this webinar, we will get you started on your analytical method with your column choice, including the particle, phase, and dimension.</p>
<h5><strong>9. Waters Corporation: Dietary Supplement Quality</strong></h5>
<ul>
<li>Th, 15.8.2024 19:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/4167">Registration</a></li>
</ul>
<p>Solving Problems That Matter - a Waters webinar series featuring USP speakers. Episode 7: Dietary Supplement Quality</p>
<h5><strong>10. Agilent Technologies: UV-VIS-NIR in Battery Development</strong></h5>
<ul>
<li>Th, 15.8.2024 20:00 CEST</li>
<li><a href="https://lcms.labrulez.com/webinar/3909">Registration</a></li>
</ul>
<p>Agilent&#39;s portfolio of instruments offers the high performance and flexible accessories needed for pioneering new applications.</p>


Webinars LabRulezLCMS Week 33/2024

Article

Product

Events

Webinars

Application

Academy

Video

Poster

Scientists

Plastics

Environment

Food

Water

Health

Presentation

Scientific article

Interview

Toxicology

Popularization

Science and research

Software

Covid-19

Career

Laboratories

Various

Zaměření

Type of News

Focus

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

Ultrahigh-Performance Supercritical Fluid Chromatography–Multimodal Ionization–Tandem Mass Spectrometry as a Universal Tool for the Analysis of Small Molecules in Complex Plant Extracts

Webinars LabRulezLCMS Week 33/2024

News from LabRulezLCMS Library - Week 31, 2024

Webinars LabRulezLCMS Week 32/2024

News from LabRulezLCMS Library - Week 30, 2024

Webinars LabRulezLCMS Week 31/2024

News from LabRulezLCMS Library Week 29, 2024

Webinars LabRulezLCMS Week 30/2024

News from LabRulezLCMS Library Week 27, 2024

Webinars LabRulezLCMS Week 29/2024

Upcoming events

Thermo Fisher Scientific Liquid Chromatography Solutions Tour

Agilent Lab Innovation Day for Academia

Is Your LC Method Ready for Today’s Biopharma Challenges? Parsippany, NJ

Webinars

The Journey of Safer Science through Safer Labs

Strategies to Mitigate Sporadic PFAS Contamination in Analytical Workflows

Tracking irrigation-related contaminants in water and soils (QTOF-MS)