Synthesis and absolute configuration of cyclic synthetic cathinones derived from α-tetralone

<p><strong>In the week of February 3, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over&nbsp;</p><p><strong>4 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Shimadzu Corporation: Analyzing Consumer Products for PFAS: New Method Development</strong></h5><div><div><ul><li><div>Mo, 3.2.2025 20:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4466">Registration</a></div></li></ul></div><p>Learn how to test nonvolatile and semi-volatile PFAS compounds in consumer products by LC-MS/MS as outlined in a method being standardized by ASTM.</p></div><h5><strong>2.&nbsp;Thermo Fisher Scientific: Methods for plasma proteomics at large scale and high-throughput</strong></h5><div><div><ul><li><div>Tu, 4.2.2025 11:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4693">Registration</a></div></li></ul></div><p>The presentation highlights the integration of advanced proteomics technologies, particularly mass spectrometry, into clinical research and diagnostics.</p></div><h5><strong>3.&nbsp;GERSTEL: Determination of mineral oil residues HPLC-GC analysis of MOSH &amp; MOAH</strong></h5><div><div><ul><li><div>We, 5.2.2025 10:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4639">Registration</a></div></li></ul></div><p>Experience the LC-GC-FID analysis for MOSH/MOAH in our informative webinar! We will introduce you to the key features of the GERSTEL LC-GC-FID system and show you how it simplifies your daily work.</p></div><h5><strong>4.&nbsp;DataApex: Clarity 10 Webinar</strong></h5><div><div><ul><li><div>Th, 6.2.2025 09:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4696">Registration</a></div></li></ul></div><p>Discover the new Dual Chromatogram Mode for dual tower samplers, enhanced User Account settings, updated control modules, Extensions' improvements, and more.</p></div><h5><strong>5.&nbsp;Thermo Fisher Scientific: Navigating proteomics techniques for molecular profiling of clinical cancer cohorts</strong></h5><div><div><ul><li><div>Th, 6.2.2025 11:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4694">Registration</a></div></li></ul></div><p>The presentation explores the integration of proteomics into clinical practice, particularly in cancer research and emphasizes the use of mass spectrometry-based proteomics.</p></div><h5><strong>6.&nbsp;Technology Networks/Peak Scientific: Toward More Sustainable Labs: The Impact of Gas Supply</strong></h5><div><div><ul><li><div>Th, 6.2.2025 15:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4690">Registration</a></div></li></ul></div><p>This webinar will discuss the improvements you could make to your lab’s sustainability goals with the introduction of on-site gas generation.</p></div><h5><strong>7.&nbsp;Agilent Technologies: Eliminate errors with automation and stress-free sample tracking</strong></h5><div><div><ul><li><div>Th, 6.2.2025 17:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4571">Registration</a></div></li></ul></div><p>Join us to hear about a new technology, linking samples and software for unprecedented control, to give you confidence in your laboratory workflow.</p></div>

Webinars LabRulezLCMS Week 6/2025

<h4><strong>A Beginner’s Guide to Multidimensional Chromatography</strong></h4><ul><li><strong>Instructors:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Pierre-Hugues+Stefanuto"><strong>Pierre-Hugues Stefanuto</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Katelynn+Perrault+Uptmor"><strong>Katelynn Perrault Uptmor</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Dwight+Stoll"><strong>Dwight Stoll</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Petr+Vozka"><strong>Petr Vozka</strong></a></li></ul><h5><strong>Course Description</strong></h5><p>So...you <strong>want to do multidimensional chromatography</strong>? If you are getting started in the field using either <strong>liquid or gas chromatography</strong>, you’re in the right place.</p><p>This course will cover a brief <strong>history and introduction</strong> to both multidimensional gas chromatography and multidimensional liquid chromatography.</p><p>Discussion will also include basic <strong>system components</strong> and <strong>data handling strategies</strong> to apply after acquiring your data.&nbsp;</p><p><strong>A hands-on portion</strong> of the course will also include familiarization with common system components and consumables for both GC and LC, as well as the opportunity to use a <strong>commercial GC×GC instrument</strong>.</p><figure class="image"><img style="aspect-ratio:2016/1163;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_16th_MDCW_2025_Short_Course_Day_0_Instructors_Pierre_Hugues_Stefanuto_Katelynn_Perrault_Uptmor_Petr_Vozka_Dwight_Stoll_c7823e807e.jpg" alt="MDCW: 16th MDCW 2025 - Short Course (Day 0) Instructors - Pierre-Hugues Stefanuto, Katelynn Perrault Uptmor, Petr Vozka, Dwight Stoll" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_16th_MDCW_2025_Short_Course_Day_0_Instructors_Pierre_Hugues_Stefanuto_Katelynn_Perrault_Uptmor_Petr_Vozka_Dwight_Stoll_c7823e807e.jpg 245w," sizes="100vw" width="2016" height="1163"></figure><h5><strong>Target Participants</strong></h5><p>This course is intended to be an initial touchpoint for those who are looking <strong>to explore multidimensional chromatography</strong> as a new option/capability, or who might be using it for the first time. The course is intended for new users to obtain a background on the techniques as a primer to the workshop. &nbsp;Advanced topics will not be discussed.</p><blockquote><h4><strong>SHORT COURSE SPONSORS 2025</strong></h4><ul><li><strong>Acesss</strong></li><li><strong>Certech</strong></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_MDCW_2025_Short_Course_Sponsors_17c5136804.jpg" alt="MDCW 2025: Short Course Sponsors." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_MDCW_2025_Short_Course_Sponsors_17c5136804.jpg 245w," sizes="100vw" width="1314" height="406"></p></blockquote><h3><strong>Agenda</strong></h3><h4><strong>Part I – History, Terminology, Fundamental Concepts</strong></h4><ul><li>Brief history of the development of multidimensional separations</li><li>Terminology</li><li>Fundamental Concepts</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_16th_MDCW_2025_Short_Course_Day_0_2_39321d7512.jpg" alt="MDCW: 16th MDCW 2025 - Short Course (Day 0)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_16th_MDCW_2025_Short_Course_Day_0_2_39321d7512.jpg 245w," sizes="100vw" width="2016" height="963"></p><h4><strong>Part II – Introduction to Multidimensional Gas Chromatography</strong></h4><ul><li>Method basics (column selection, method parameters, carrier gas choices, detector considerations)</li><li>Modulator selection (thermal, flow, others)</li><li>Method development made simple</li><li>Data preprocessing and initial handling</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_16th_MDCW_2025_Short_Course_Day_0_1_17b90a9c53.jpg" alt="MDCW: 16th MDCW 2025 - Short Course (Day 0)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_16th_MDCW_2025_Short_Course_Day_0_1_17b90a9c53.jpg 117w," sizes="100vw" width="1512" height="2016"></p><h4><strong>Part III – Introduction to Multidimensional Liquid Chromatography</strong></h4><ul><li>Modes of multidimensional separation commonly used with LC (heartcut, multiple<br>heartcut/selective comprehensive, fully comprehensive)</li><li>Interfaces used for multidimensional LC</li><li>Common use cases of multidimensional LC ( industry and academic research examples)</li><li>Introduction to method development strategies</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_16th_MDCW_2025_Short_Course_Day_0_Part_IV_Laboratory_Session_5c0228ff66.jpg" alt="MDCW: 16th MDCW 2025 - Short Course (Day 0) Part IV – Laboratory Session" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_16th_MDCW_2025_Short_Course_Day_0_Part_IV_Laboratory_Session_5c0228ff66.jpg 245w," sizes="100vw" width="2016" height="1040"></p><h4><strong>Part IV – Laboratory Session</strong></h4><p>Participants will be put in small groups and rotate to different stations to familiarize with a variety of<br>GC and LC components used for multidimensional systems including:</p><ul><li>Rotation 1: 2D LC – Interfaces, valves, columns, acquisition software</li><li>Rotation 2: GC×GC – Tuning, sequence setup, acquisition</li><li>Rotation 3: GC×GC – Hardware and consumables</li><li>Rotation 4: GC×GC – Data processing examples</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_16th_MDCW_2025_Short_Course_Day_0_Rotation_1_2_D_LC_Interfaces_valves_columns_acquisition_software_bb39a29c27.jpg" alt="MDCW: 16th MDCW 2025 - Short Course (Day 0) Rotation 1 2D LC – Interfaces, valves, columns, acquisition software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_16th_MDCW_2025_Short_Course_Day_0_Rotation_1_2_D_LC_Interfaces_valves_columns_acquisition_software_bb39a29c27.jpg 188w," sizes="100vw" width="1512" height="1257"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_16th_MDCW_2025_Short_Course_Day_0_Rotation_2_GC_GC_Tuning_sequence_setup_acquisition_7e06c1acba.jpg" alt="MDCW: 16th MDCW 2025 - Short Course (Day 0) Rotation 2 - GC×GC – Tuning, sequence setup, acquisition" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_16th_MDCW_2025_Short_Course_Day_0_Rotation_2_GC_GC_Tuning_sequence_setup_acquisition_7e06c1acba.jpg 245w," sizes="100vw" width="2284" height="1153"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_16th_MDCW_2025_Short_Course_Day_0_Rotation_3_GC_GC_Hardware_and_consumables_6b0ec5e8ea.jpg" alt="MDCW: 16th MDCW 2025 - Short Course (Day 0) Rotation 3 GC×GC – Hardware and consumables" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_16th_MDCW_2025_Short_Course_Day_0_Rotation_3_GC_GC_Hardware_and_consumables_6b0ec5e8ea.jpg 245w," sizes="100vw" width="2016" height="889"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_16th_MDCW_2025_Short_Course_Day_0_Rotation_4_GC_GC_Data_processing_examples_e06f63f4d9.jpg" alt="MDCW: 16th MDCW 2025 - Short Course (Day 0) Rotation 4 - GC×GC – Data processing examples" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_16th_MDCW_2025_Short_Course_Day_0_Rotation_4_GC_GC_Data_processing_examples_e06f63f4d9.jpg 164w," sizes="100vw" width="1512" height="1445"></p>

16th MDCW 2025 - Short Course (Day 0)

<h3><strong>Program MONDAY February 3, 2025</strong></h3><ul><li><a target="_blank" rel="noopener noreferrer" href="https://www.multidimensionalchromatography.com/uploads/5/8/9/1/58913545/_final_16mdcw_guidebook.pdf"><strong>Final Guidebook (PDF)</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.multidimensionalchromatography.com/uploads/5/8/9/1/58913545/_global_abstract.pdf"><strong>Abstract Book (PDF)</strong></a></li></ul><h5>8:00 - 8:30 AM Registration</h5><h5>8:30 - 9:00 AM - <strong>Introducing Supercritical Fluid Chromatography in the Community of Multidimensional Chromatography</strong></h5><ul><li>Karine Faure (Institut of Analytical Sciences, CNRS Universite Lyon, France)</li></ul><p>In recent years, multidimensional liquid chromatography has received increasing attention due to the desire to better resolve non-volatile compounds in complex samples. The selection of chromatographic modes in each dimension is of paramount importance to ensure the orthogonality of the overall 2D separation.</p><p>To overcome the limitations encountered in the analysis of non-ionisable molecules, the use of supercritical fluid chromatography (SFC) combined with polar stationary phases is considered as a potential dimension of interest. This contribution reports on the advantages of comprehensive RPLC×SFC separation for the characterisation of valuable bio-wastes (wood lignin, spent ground coffee) and the incorporation of renewable materials into industrial products. Recent advances in modulation interfaces for on-line coupling of LC and SFC are described.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Karine_Faure_Introducing_Supercritical_Fluid_Chromatography_5ffe948e36.jpg" alt="MDCW: Karine Faure - Introducing Supercritical Fluid Chromatography in the Community of Multidimensional Chromatography" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Karine_Faure_Introducing_Supercritical_Fluid_Chromatography_5ffe948e36.jpg 245w," sizes="100vw" width="2284" height="1453"></p><h5>9:00 - 9:30 AM - <strong>GC×GC-MS - Fragrance Allergens - The Olympic Gold Standard</strong></h5><ul><li>Thomas Dutriez (Givaudan International, Product Safety Science Laboratories CoE, Vernier, Switzerland)</li></ul><p>On July 26, 2023, the European Commission (EC) published amendment 2023/1545<sup>1 </sup>to Annex III of the Cosmetic Products Regulation, significantly expanding the number of fragrance allergens from 24 to 57 organic compounds for which presence should be indicated on the product’s label when above the established thresholds for leave-on and rinse off products (0.001 and 0.01%). The labelling of cosmetic products placed on the EU market will therefore be impacted over a period of 3 to 5 years.</p><p>While the percentage of consumers developing allergic contact dermatitis remains low, the extended list of 57 fragrance allergens corresponds to typical perfume notes commonly found in fragrance raw materials (more than 99% of natural ingredients contain at least one allergen).</p><p>Accurate determination of fragrance allergens levels is a crucial activity for the fragrance industry to comply with legislation and to provide robust data to customers, together with perfumers during the creation step. However, this remains an analytical challenge regarding the quantification of a wide range of different chemical structures (i), across a large concentration range from ppm to high percentage levels (ii), and in complex natural substances potentially containing more than 10’000 different molecules (iii).</p><p>The fragrance industry has developed technical recommendations<sup>2,3</sup> to address this target quantitation analysis: GC-MS technology, two different stationary phases, SIM/Scan acquisition and a decision tree for data processing. Although the classical GC-MS approach, involving two different devices, can provide sufficient data confidence for simple raw materials, it becomes a daunting task when dealing with natural substances owing to multiple co-elutions with matrix peaks. For instance, for a complex essential oil, up to 16 GC-MS runs may be required to cover the full concentration range of allergens. Advanced MS technologies, such as MS-MS or HR-MS, have been recently proposed but cannot differentiate molecules having the same elemental formula or MS fragments, like terpenes or terpenoids.</p><p>Comprehensive two-dimensional gas chromatography (GC×GC-TOFMS) is the technology of choice to fully overcome co-elution issues in natural samples. Dedicated GC×GC conditions have been developed through a patented method<sup>4</sup> that helps select the best optimal parameters to maximize the separation between targets and the separation capacity. As a result, a unique normal hybrid configuration (Mid-polar × Polar) has proven to separate all fragrance allergens, even the discrete isomers, in a single run while providing a very high observed peak capacity of 5000. The developed methodology, based on GC×GC-MS for content level up to 3% and calibrated FID data for higher percentages, provides excellent performance: no compromise in separation, very high data confidence for unambiguous identification and quantification, a maximum of three data sets for complex substances and a streamlined semi-automated data process.</p><p>With more than 10,000 analyses and a daily use over the past 10 years, this state-of-the-art method is at the heart of a monitoring program for regulated substances, in new or existing ingredients, and for customer questions.</p><p>GC×GC-TOFMS has become the gold standard for quantifying fragrance allergens due to its unsurpassed performance and user-friendly technology.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Thomas_Dutriez_GC_GC_MS_Fragrance_Allergens_The_Olympic_Gold_Standard_18974f5da5.jpg" alt="MDCW: Thomas Dutriez - GC×GC-MS - Fragrance Allergens - The Olympic Gold Standard" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Thomas_Dutriez_GC_GC_MS_Fragrance_Allergens_The_Olympic_Gold_Standard_18974f5da5.jpg 245w," sizes="100vw" width="2284" height="1392"></p><h5>9:30 - 9:50 AM - <strong>Development of a multiple heart-cut SFC-SFC setup</strong></h5><ul><li>Clément De Saint Jores</li></ul><h5>9:50 - 10:10 AM - <strong>Toward unrivaled chromatographic resolving power in proteomics: Design and development of comprehensive spatial three-dimensional liquid-phase separation technology</strong></h5><ul><li>Sebastiaan Eeltink</li></ul><h5>10:10 - 10:40 AM Coffee Break and <strong>poster session</strong></h5><figure class="image"><img style="aspect-ratio:1512/2016;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Coffee_Break_and_Poster_session_2_cb767d8c78.jpg" alt="MDCW: Coffee Break and Poster session" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Coffee_Break_and_Poster_session_2_cb767d8c78.jpg 117w," sizes="100vw" width="1512" height="2016"></figure><h5>10:40 - 11:00 AM - <strong>Enhanced chiral screening of complex samples via aqueous achiral × chiral comprehensive liquid chromatography</strong></h5><ul><li>Frederic lynen&nbsp;</li></ul><h5>11:00 - 11:20 AM - <strong>Application of 2D-LC to the analysis of chiral and other isomeric molecules in biosciences</strong></h5><ul><li>Michael Laemmerhofer</li></ul><blockquote><h4><strong>GOLD SPONSORS 2025</strong></h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://www.leco.com/"><strong>LECO</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.jeolbenelux.com/"><strong>JEOL</strong></a></li></ul><p><img style="aspect-ratio:1283/384;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_MDCW_2025_Gold_Sponsors_97685a5688.jpg" alt="MDCW: MDCW 2025 Gold Sponsors." width="1283" height="384"></p></blockquote><h5>11:20 - 11:40 AM - <strong>One-step-microwave-assisted extraction and derivatization followed by comprehensive two-dimensional chromatography coupled with flame ionization detector to analyze fatty acid methyl esters (FAMEs) in complex food matrices.</strong></h5><ul><li>Donatella Ferrara</li></ul><h5>11:40 - 12:00 AM - <strong>Profiling phenolic compounds in shea by comprehensive two-dimensional liquid chromatography hyphenated to ion mobility spectrometry and high-resolution mass spectrometry</strong></h5><ul><li>Nikoline J. Nielsen&nbsp;</li></ul><h5>12:00 - 12:20 PM - <strong>Investigating the impact of packaging on oat volatiles using GC×GC–TOF MS</strong></h5><ul><li>Steve Smith (SepSolve Analytical, United Kingdom)</li></ul><p>Investigating the migration of volatiles from food packaging is essential for ensuring the safety, quality, and sensory integrity of food products.. Packaging materials can release volatiles that may migrate into the food over time, significantly affecting the sensory characteristics of food, altering its taste, aroma, and overall consumer appeal. Understanding the extent and mechanisms of this migration is vital not only for meeting stringent food safety regulations but also for developing packaging solutions that minimise these interactions.</p><p>However, the study of volatiles in complex food matrices requires advanced analytical techniques due to the low concentrations and diverse nature of the compounds. Traditional methods, such as SPME–GC–MS, often lack the sensitivity and resolution needed to fully characterise the volatile composition.</p><p>Here, we employ headspace sorptive extraction and GC×GC-TOF MS to investigate the volatile profiles of oats. The high-capacity probes enable efficient extraction and pre-concentration of a wide range of trace-level volatiles, while GC×GC-TOF MS provides exceptional separation and identification capabilities. This powerful combination allows for a detailed investigation of the volatile profile of foods and the potential impact of packaging materials on these profiles.</p><p>We apply this approach to analyse volatiles from six brands of packaged oats. Using sophisticated chemometrics workflows, we identify key differentiators among the packaging materials—cardboard, paper, and plastic—and analyse the volatiles emitted from these sources to confirm and understand migration patterns.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Steve_Smith_Investigating_the_impact_of_packaging_on_oat_volatiles_using_GC_GC_TOF_MS_f9c95070e0.jpg" alt="MDCW: Steve Smith - Investigating the impact of packaging on oat volatiles using GC×GC–TOF MS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Steve_Smith_Investigating_the_impact_of_packaging_on_oat_volatiles_using_GC_GC_TOF_MS_f9c95070e0.jpg 233w," sizes="100vw" width="2284" height="1532"></p><h5>12:20 - 12:40 PM - <strong>Non-targeted analysis of PFAS using two dimensional gas chromatography</strong></h5><ul><li>Christopher Freye&nbsp;</li></ul><h5>12:40 - 1:30 PM Lunch</h5><h5>1:30 - 1:40 PM - <strong>The LabRulez portals – a unique source of information not only in the field of GC×GC and 2DLC</strong></h5><ul><li>Ivo Novotný</li></ul><h5>1:40 - 1:50 PM - <strong>Coupling of VAC-HS-SPME and GC×GC-QMS for simultaneous 5-HMF quantification and volatile profiling in honey</strong></h5><ul><li>Damien Eggermont</li></ul><h5>1:50 - 2:00 PM - <strong>MOSH&amp;MOAH in food ingredients and additives, and the advantages of using LC/GC×GC(-FID/TOFMS) for their analysis</strong></h5><ul><li>Aleksandra Gorska</li></ul><p>Mineral oil saturated hydrocarbons (MOSH) and mineral oil aromatic hydrocarbons (MOAH) are contaminants of increasing concern for the food industry due to their widespread occurrence and uncertain toxicity. The ISO 20122:2024 is currently the only official method for their analysis, and it has only been validated on several vegetable oils. The workflow consists of extensive sample preparation followed by LC-GC-FID analysis. However, many challenges remain with this analysis. Accurate quantification is often difficult, particularly when biogenic substances coelute with MOSH or MOAH unresolved complex mixtures (UCMs). In these cases, chromatogram integration is largely based on the operator's interpretation.</p><p>Switching to LC-GC×GC-FID has proven to be a useful approach to reduce the uncertainty associated with interpretation. The second GC dimension helps differentiate biogenic compounds from MOSH and MOAH. Adding mass spectrometry (MS) detection further enhances the ability to distinguish coeluting substances. These advantages make LC-GC×GC-FID/TOFMS particularly useful for investigating MOSH/MOAH contamination in new matrices, where the present interferences are not yet well understood.</p><p>This presentation will illustrate the advantages of LC-GC×GC-FID/TOFMS for analysing MOSH/MOAH in food ingredients and additives, for which limited data is available. Additionally, it will show how the LC step preceding GC analysis, which initially serves to separate MOSH from MOAH and retain more polar compounds, can also help reduce or eliminate certain interferences.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Aleksandra_Gorska_MOSH_and_MOAH_in_food_ingredients_and_additives_and_the_advantages_of_using_LC_GC_GC_FID_TOFMS_for_their_analysis_b9bca1249f.jpg" alt="MDCW: Aleksandra Gorska - MOSH&amp;MOAH in food ingredients and additives, and the advantages of using LC/GC×GC(-FID/TOFMS) for their analysis" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Aleksandra_Gorska_MOSH_and_MOAH_in_food_ingredients_and_additives_and_the_advantages_of_using_LC_GC_GC_FID_TOFMS_for_their_analysis_b9bca1249f.jpg 245w," sizes="100vw" width="1612" height="951"></p><h5>2:00 - 2:10 PM - <strong>Automation and challenges in one-and-dimensional liquid chromatography method development: what is optimal?</strong></h5><ul><li>Tijmen S. Bos&nbsp;</li></ul><h5>2:10 - 2:20 PM - <strong>Forensic olfactronics and human scent signatures created from GC×GC-MS data</strong></h5><ul><li>Stepan Urban&nbsp;</li></ul><h5>2:20 - 2:30 PM - <strong>Development and testing of a non-contact scent collection device on real human scent</strong></h5><ul><li>Oleksii Kaminskyi</li></ul><h5>2:30 - 2:40 PM - <strong>Towards a better understanding of the body volatolome: focus on endogenous parameters influencing body volatolome composition</strong></h5><ul><li>Elsa Boudard</li></ul><h5>2:40 - 2:50 PM - <strong>Method optimization of fingermark residue using comprehensive two-dimensional gas chromatography</strong></h5><ul><li>Emma Macturk (William &amp; Mary, Williamsburg, USA)</li></ul><p>Optimization is a crucial step in method development of routine analytical techniques. Fingermark residue, consisting of sweat and oil from sebaceous glands, is a complex biological mixture with fatty acids, fatty alcohols, and steroid hormones. Fingermarks have been analyzed using techniques such as liquid chromatography, capillary electrophoresis, and gas chromatography (GC) all coupled to mass spectrometry. There has been little research however in full, nontargeted characterization of fingermark residue using advanced chromatographic methods such as comprehensive two-dimensional gas chromatography (GC×GC-TOFMS). The goal of this study was to optimize a method for the nontargeted analysis of fingermark residue using GC×GC-TOFMS.</p><p>A starting method based on a one-dimensional GC and GC×GC comparison was used to analyze residue samples. Full method optimization included testing five parameters (modulation period, hot pulse time, hold time at oven start, hold time at oven end, and oven ramp rate) with three options each and one parameter (secondary oven offset) with two options. Parameter options were compared to each other as a group and the best option chosen for the optimized method. The optimized method was evaluated as a whole with all optimized parameters. Fingermark deposition, regeneration, and sample preparation were optimized with different extraction processes with the goal of quantitation of analytes. Method optimization using GC×GC fully resolved hidden peaks such as the steroid hormone allopregnane. A fully optimized method will be used in future studies to differentiate between endogenous fingermark compounds and exogenous contamination compounds from the environment.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Emma_Macturk_Method_optimization_of_fingermark_residue_using_comprehensive_two_dimensional_gas_chromatography_25a6b92c16.jpg" alt="MDCW: Emma Macturk - Method optimization of fingermark residue using comprehensive two-dimensional gas chromatography" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Emma_Macturk_Method_optimization_of_fingermark_residue_using_comprehensive_two_dimensional_gas_chromatography_25a6b92c16.jpg 245w," sizes="100vw" width="1612" height="1006"></p><h5>2:50 - 3:00 PM - <strong>Sex and person identity recognition from GC×GC analysis of scent samples</strong></h5><ul><li>Jan Hlavsa</li></ul><h5>3:00 - 3:10 PM - <strong>The impact of the menstrual cycle on skin volatile profiles</strong></h5><ul><li>Marion Risse</li></ul><h5>3:10 - 4:30 PM Coffee Break and <strong>Poster session</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Coffee_Break_and_Poster_session_91aa1b84c3.jpg" alt="MDCW: Coffee Break and Poster session" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Coffee_Break_and_Poster_session_91aa1b84c3.jpg 181w," sizes="100vw" width="1512" height="1307"></p><h5>4:30 - 5:30 PM <strong>Guided Discussion: Transition to green chemistry, challenges and opportunities for analytical revolution</strong></h5><h5>7:00 PM <strong>Conference dinner at the Liège University Aquarium-Muséum</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_16th_Multidimensional_Chromatography_Workshop_MDCW_45f4f47a21.jpg" alt="MDCW: 16th Multidimensional Chromatography Workshop (MDCW)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_16th_Multidimensional_Chromatography_Workshop_MDCW_45f4f47a21.jpg 117w," sizes="100vw" width="1512" height="2016"></p>

16th MDCW 2025 (Day 1)

<p><strong>Tailored for laboratories seeking precision, efficiency, and scalability, Chrom SST is the ultimate tool for streamlining data processing and generating AI-ready insights.</strong></p><h5><strong>Key Features:</strong></h5><ul><li>Automated Data Processing and Analysis</li><li>Customizable and Re-usable Methods</li><li>Easy-to-interpret Pass/Fail Results</li><li>Compatible with Various Chromatography Systems</li><li>Supports Diverse Output Formats</li></ul><h3><strong>Why Choose Chrom SST?</strong></h3><p>Chrom SST transforms laboratory operations by <strong>centralizing data management </strong>and consolidating results from multiple instruments into a unified repository for seamless dashboarding and performance monitoring. It <strong>enables 24/7 operations</strong> and <strong>scheduled tests - </strong>eliminating the need for human intervention and minimizing instrument downtime. Designed for scalability, Chrom SST ensures <strong>consistent performance</strong> across growing workloads, diverse instruments, and expanding teams.</p><p>By adopting Chrom SST, laboratories can <strong>enhance efficiency and productivity</strong> while leveraging <strong>predictive insights</strong> to optimize instrument uptime and maintain uninterrupted operations.</p><p>Learn more about <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/main-product/chrom-sst?utm_source=adv&amp;utm_medium=labrulez&amp;utm_campaign=feb&amp;utm_term=chrom%20sst"><strong>Chrom SST</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://www2.mestrelab.com/l/271522/2025-01-31/3thx58"><strong>request a demo</strong></a> to see how it can revolutionize your lab operations.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Introducing_Chrom_SST_Automated_and_Accurate_Instrument_Performance_Insights_af0c39857d.jpg" alt="Mestrelab: Introducing Chrom SST Automated and Accurate Instrument Performance Insights" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Introducing_Chrom_SST_Automated_and_Accurate_Instrument_Performance_Insights_af0c39857d.jpg 245w," sizes="100vw" width="1920" height="1080"></p>

Introducing Chrom SST: Automated and Accurate Instrument Performance Insights

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 3rd February 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you tech. note by <strong>Agilent Technologies, </strong>applications by <strong>Shimadzu, Thermo Fisher Scientific, Metrohm,</strong> and Poster by <strong>Waters Corporation</strong>!</p><h4><strong>1. Simultaneous Determination of Five Genotoxic Aryl Sulfonate Impurities in Pharmaceuticals by LCMS-2050</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_03_lcms_053_en_befdf50f8c.pdf">Full PDF for download</a></li></ul><h5><strong>User Benefit</strong></h5><ul><li>A novel method for determining the content of five genotoxic aromatic sulfonate impurities in drugs was established by using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=2050"><strong>LCMS-2050 single quadrupole mass spectrometer</strong></a>.</li><li>The pretreatment of this method was simple, and it had a wide linear range and a high accuracy rate.</li></ul><h5><strong>Introduction</strong></h5><p>Genotoxic impurities (GTIs) refer to substances that directly or indirectly damage cellular DNA, generating gene mutations or in vivo mutagenesis. GITs may can cause damage to human genetic material at extremely low concentrations, which in turn leads to gene mutations and promotes the occurrence of tumors. Because of the potential risks of GITs, it is essential to monitor any potentially existing genotoxic impurities in active pharmaceutical ingredients or medicinal products.</p><p>In the pharmaceutical industry, when drug active ingredients exist in the forms of alkyl sulfonates, benzenesulfonates, p-toluenesulfonates, and hydroxyethyl sulfonates or sulfonic acid reagents are utilized in the drug synthesis process, sulfonate esters are regarded as potential GTIs. GTIs of sulfonate esters can be classified as alkyl sulfonate esters and aryl sulfonate esters based on different substituents.</p><p>Previously, relevant literature has reported quantitative detection methods for some GTIs of sulfonate esters, such as GC-MS, GC-FID, LC-MS/MS, and complex derivatization treatment of samples might be necessary. In this study, LC-MS was mainly utilized for the quantitative analysis of five GTIs of aryl sulfonate esters. This method features simple pretreatment and high accuracy, which can offer a reference for the detection of genotoxic impurities of aryl sulfonate esters in drugs.</p><h5><strong>Conclusion</strong></h5><p>A novel method for determining the content of five genotoxic impurity aryl sulfonates in drugs was established by using the LCMS-2050. Within the concentration range of 5 - 500 μg/L, the correlation coefficients of the five genotoxic impurity aryl sulfonates were all greater than 0.994. When a mixed standard solution of three concentrations was added to the drugs, the recovery rates of each component ranged from 110.5% to 115.3%. This method features simple pretreatment, excellent specificity and high sensitivity, and can provide a reference for the determination of the content of five genotoxic impurities aryl sulfonates in drugs.</p><h4><strong>2.&nbsp;Method Transfer from an Agilent 1100 Series Quaternary LC to an Agilent 1260 Infinity III LC</strong></h4><ul><li>Technical Overview</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/te_method_transfer_equivalency_1100_series_1260_infinity_iii_5994_8031en_agilent_1_b429e7bd87.pdf">Full PDF for download</a></li></ul><p><strong>Proof of equivalency for the transfer of conventional LC methods</strong></p><p>Method transfer from legacy equipment to new instruments, such as the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1260+Infinity+III"><strong>Agilent 1260 Infinity III LC</strong></a>, is an important topic for all laboratories throughout different industries. Seamless method transfer ensures that the same methods can still be used, which ensures business continuity and reduced regulatory and financial risks.</p><p>This technical overview demonstrates method transfer from an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1100"><strong>Agilent 1100 Series Quaternary LC</strong></a> to an Agilent 1260 Infinity III LC for conventional LC methods covering diverse gradient conditions. Equivalent results are obtained, which proves that seamless method transfer can be expected for typical, robust, conventional LC methods. In terms of retention time precision, the 1260 Infinity III LC outperforms the 1100 LC, leading to higher trust in the data.</p><h5><strong>Introduction</strong></h5><p>Method transfer is an important topic for all laboratories throughout different industries, where HPLC methods are transferred between departments and locations as well as between different LC instruments.<sup>1</sup> For validated methods in the pharmaceutical industry, method transferability is compulsory.</p><p>Method transfer, or the transfer of analytical procedures from one laboratory to another in the pharmaceutical industry requires a documented process that requires comparative testing.<sup>2</sup> One example for instrument-to-instrument method transfer is the transfer of conventional LC methods from legacy equipment to new instruments such as a 1260 Infinity III LC.</p><p>This technical overview demonstrates method transfer from a 1100 Series Quaternary LC to a 1260 Infinity III LC for conventional LC methods. Several methods were chosen that cover diverse gradient conditions including challenging conditions such as a shallow gradient and a gradient starting at a composition extreme. This should prove that equivalent results are obtained when transferring methods from a broad application space of conventional LC methods from the 1100 Series Quaternary LC to the 1260 Infinity III LC.</p><p><strong>Conclusion</strong></p><p>The transfer of conventional LC methods covering diverse gradient conditions from an Agilent 1100 Series Quaternary LC to an Agilent 1260 Infinity III LC leads to equivalent results, thereby proving that seamless method transfer can be expected for typical, robust, conventional LC methods. In terms of retention time precision, the 1260 Infinity III LC outperforms the 1100 LC, leading to a higher trust in the data.</p><h4><strong>3.&nbsp;Development of Separation Methods for GLP-1 Synthetic Peptides Utilizing a Systematic Protocol and MaxPeak High Performance Surface Technology</strong></h4><ul><li>Poster / HPLC Symposium</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/2024_hplc_bengtson_glp1_synthetic_peptides_7d92bb96e7.pdf">Full PDF for download</a></li></ul><p>Peptides offer higher specificity than small molecules, and low immunogenicity which makes them excellent candidates for new medications. Specifically synthetic peptides produced through solid phase peptide synthesis allow for more control with more predictable impurities with a relatively low manufacturing cost.</p><p>An excellent example of upcoming synthetic peptide drugs is Glucagon-Like Peptide-1 Agonists (GLP-1s) which are prescribed for the treatment and management of obesity and type-II diabetes1. Recently, GLP-1 drugs such as semaglutide, have boomed in popularity as a weight management treatment after success in clinical trials.2 Given the prevalence of GLP-1s, it is important that the quality control for this class of pharmaceuticals is supported by versatile, sensitive, and reproducible chromatography methods.</p><p>Here we address these needs and developed a single HLPC-UV/MS method for the analysis of a variety of GLP-1s. The experiment was based around a systematic protocol which was key in helping to identify high-risk factors and to shorten the method development time. Beyond this <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=5&amp;search=MaxPeak+HPS"><strong>MaxPeak high performance (HPS)</strong></a> technology was used to improve chromatographic performance.</p><h5><strong>Conslusion</strong></h5><p>The thoughought assessment of the risk before conduction the development of a separation method allowed for the ccreation of a more quality method while reducing time. Asessing the high risk variables showed ther benefit in MaxPeak HPS technology when working with these compounds. MaxPeak HPS technology</p><h4><strong>4.&nbsp;Quantifying impurities in cationic lipids raw materials with the inverse gradient method using LC-CAD-MS</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003384_pb_cationic_lipids_isq_lc_cad_ms_an003384_na_en_d3a34737de.pdf">Full PDF for download</a></li></ul><h5><strong>Application benefits</strong></h5><ul><li>Enable the quantification of impurities even in the absence of specific reference standards</li><li>Use a single quadrupole mass spectrometer to match impurities based on their retention time and molecular masses</li><li>Use an inverse gradient with <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=3&amp;search=Charged+Aerosol+CAD"><strong>Charged Aerosol Detector (CAD)</strong></a> to enable accurate surrogate quantitation when there is large difference in retention times between the lipid standard and its impurities, even in the absence of impurity standards</li><li>Confirm the unit mass of both the lipid standard and its associated impurities using the correlation of CAD and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=3&amp;search=ISQ"><strong>ISQ channels</strong></a></li></ul><h5><strong>Goal</strong></h5><ul><li>Provide instructions, methodologies, and recommended techniques to improve quantification of impurities in cationic lipid components</li><li>Use the Thermo Scientific™ Vanquish™ Flex Inverse Gradient UHPLC System coupled to a Thermo Scientific™ Vanquish™ Charged Aerosol Detetor to provide more accurate estimated quantitation of cationic lipid impurities without the need for reference standards</li></ul><h5><strong>Conclusion</strong></h5><p>In this study, we have developed an inverse gradient quantification method for cationic lipids impurity analysis when impurity reference standards are not available. For further identification of lipid impurities, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_002455_bt_lc_cad_hram_ms_lipid_nanoparticle_an002455_na_en_2c6a86ecac/an-002455-bt-lc-cad-hram-ms-lipid-nanoparticle-an002455-na-en.pdf"><strong>Application Note 002455</strong></a> can be referenced.</p><ul><li>The impurity amount can be automatically estimated using another peak or peak group within the same run for this surrogate quantitation in Chromeleon CDS.</li><li>Both inverse gradient configuration and method can be automatically generated via the wizard.</li><li>When there is a significant difference in retention times between the lipid standard and its impurities, using an inverse gradient provides more accurate estimated quantitation than a conventional gradient method.</li><li>The use of the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=3&amp;search=ISQ"><strong>ISQ EM MS</strong></a> in conjunction with CAD allowed for confirmation of the m/z of the lipid raw material as well as determination of the m/z for the unknown impurities.</li></ul><h4><strong>5.&nbsp;Using a portable standalone system for easy fermentation monitoring</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_ec_035_download_f48491e484.pdf">Full PDF for download</a></li></ul><p><strong>In-situ measurements of lactic acid in beer using screen-printed electrodes (SPEs)</strong></p><p>Lactic acid (2-hydroxypropanoic acid) is primarily found in sour dairy products. In beer, the presence of lactic acid contributes to its acidity and lactic aromas, and usually appears as the result of fermentation with lactic acid bacteria. These bacteria may be purposely introduced to the wort, or they can also appear as a result of an infection.</p><p>Although lactic acid is essential in beer up to a certain amount, in excess it is considered a defect. Its perception threshold is 0.0044 mol/L. However, in some lambic-type beers, the lactic acid concentration can reach levels higher than 0.0333 mol/L.</p><p>In this Application Note, an enzymatic sensor based on a screen-printed electrode is used to measure lactic acid in commercial beers as a proof of concept for its potential application during fermentation monitoring.</p><p><strong>Conclusion</strong></p><p>In this study, an electrochemical biosensor for the detection of lactic acid in beer is proposed. The sample with the electrochemical method proposed only needs to be diluted 1:10 with a solution of 0.1 mol/L Tris-NO<sub>3</sub> at pH 7.2. Using a simple amperometric assay, it is possible in 75 s to measure the amount of lactic acid in a beer sample without any pretreatment. Measurements obtained are similar to those taken with a traditional L-Lactate Assay kit and non-portable optical devices</p>

News from LabRulezLCMS Library - Week 6, 2025

16th MDCW 2025 (Day 2)

<h3><strong>Program WEDNESDAY February 5, 2025</strong></h3><ul><li><a target="_blank" rel="noopener noreferrer" href="https://www.multidimensionalchromatography.com/uploads/5/8/9/1/58913545/_final_16mdcw_guidebook.pdf"><strong>Final Guidebook (PDF)</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.multidimensionalchromatography.com/uploads/5/8/9/1/58913545/_global_abstract.pdf"><strong>Abstract Book (PDF)</strong></a></li></ul><h5>8:00 - 8:30 AM Registration</h5><h5>8:30 - 8:50 AM - <strong>Multidimensional gas chromatography-mass spectrometry for the elucidation of indoor air quality improvements arising from planned interventions</strong></h5><ul><li>Patricia Forbes (University of Pretoria, Pretoria, South Africa)</li></ul><p>Indoor air quality has a direct impact on human health, and encompasses exposure from both domestic and occupational environments. Combustion is a known source of semi-volatile organic compounds, including polycyclic aromatic hydrocarbons (PAHs), many of which may negatively impact human health with particular reference to respiratory illness and disease. Governments and industries may therefore undertake interventions to reduce combustion emissions and their associated impacts. A robust analytical methodology is required to correctly assess any improvements in the resulting air quality. Multidimensional gas chromatography-mass spectrometry (GC×GC-MS) is an indispensable tool in this regard, as the enhanced separation which it provides enables correct peak identification and quantification.</p><p>The results of two studies are presented which aimed to improve air quality by the implementation of combustion-related interventions. The first involved an occupational setting, whereby biodiesel was tested as an alternative to diesel in fueling a heavy duty vehicle in a South African underground platinum mine. Sampling of gaseous emissions onto multichannel polydimethylsiloxane traps was conducted in this confined environment (akin to indoor air) followed by GC×GC-MS analysis, focusing on PAHs. In the second study, the impact on domestic air quality resulting from the replacement of coal/wood stoves with gas stoves was assessed in an informal settlement in South Africa, by similarly sampling and analyzing the gaseous combustion emissions pre- and post intervention in 25 households and at eight ambient locations. The importance of utilizing multidimensional chromatography for these applications will be discussed in the context of the assessment of air quality improvements.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Patricia_Forbes_Multidimensional_gas_chromatography_mass_spectrometry_for_the_elucidation_of_indoor_air_quality_improvements_arising_from_planned_interventions_d5b551e571.jpg" alt="MDCW: Patricia Forbes - Multidimensional gas chromatography-mass spectrometry for the elucidation of indoor air quality improvements arising from planned interventions" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Patricia_Forbes_Multidimensional_gas_chromatography_mass_spectrometry_for_the_elucidation_of_indoor_air_quality_improvements_arising_from_planned_interventions_d5b551e571.jpg 245w," sizes="100vw" width="2856" height="1721"></p><h5>8:50 - 9:10 AM - <strong>What’s in the dust? GC×GC-MS based non-target screening of house dust</strong></h5><ul><li>Andriy Rebryk</li></ul><h5><strong>9:10 - 9:20 AM - TD-GC-MS/O and TD-GC×GC-HRTOFMS for the characterization of odorous compounds in recycled materials</strong></h5><ul><li>Catherine Brasseur</li></ul><h5>9:30 - 9:50 AM - <strong>An aliquot push-pull interface for coupling the first and second dimension separations in two-dimensional liquid chromatography</strong></h5><ul><li>Dwight Stoll (Gustavus Adolphus College, Saint Peter, USA)</li></ul><p>Two-dimensional liquid chromatography (2D-LC) separations are increasing in popularity, both for the analysis of relatively simple, but hard-to-separate mixtures, and the analysis of highly complex mixtures such as those encountered in the analysis of biological samples. Despite advances in many aspects of the instrument hardware and software needed for routine use of 2D-LC, there are some aspects of the technology that have hardly changed since the first online 2D separations were demonstrated several decades ago. In this presentation we will describe a novel approach to interfacing the first and second dimensions of separation that addresses some of the shortcomings of existing technology. The approach – which we descriptively refer to as a “push-pull” interface – lets go of the conventional fixed loop feature of existing interfaces, and uses a precisely controlled, high pressure syringe to first “pull” in an aliquot of first dimension effluent that we desire to transfer to a second dimension for further separation. Then, it is “pushed” into the mobile phase stream of the second dimension and carried to the second dimension column. There are several advantages of this approach over existing ones, including software control of both the aliquot volume, and the rate at which the aliquot is fed into the second dimension mobile phase stream. In addition to an explanation of the modulation cycle, we will share results of preliminary work to illustrate the basic features of the interface/approach and show application examples that highlight the advantages of the push-pull interface over existing interfaces for 2D-LC.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Dwight_Stoll_An_aliquot_push_pull_interface_for_coupling_the_first_and_second_dimension_separations_in_two_dimensional_liquid_chromatography_8661d51930.jpg" alt="MDCW: Dwight Stoll - An aliquot push-pull interface for coupling the first and second dimension separations in two-dimensional liquid chromatography" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Dwight_Stoll_An_aliquot_push_pull_interface_for_coupling_the_first_and_second_dimension_separations_in_two_dimensional_liquid_chromatography_8661d51930.jpg 240w," sizes="100vw" width="2016" height="1309"></p><h5>9:50 - 10:10 AM - <strong>Development of a MULTI-2D LC×LC-ESI/TPI-DUAL SOURCE-QTOF-MS for the analysis of complex samples</strong></h5><ul><li>Oliver Schmitz&nbsp;</li></ul><h5>10:10 - 10:40 AM Coffee Break</h5><h5>10:40 - 11:00 AM - <strong>Characterization of chemical exposures from cannabis and vape devices using GC×GC-MS</strong></h5><ul><li>James Harynuk&nbsp;</li></ul><h5>11:00 - 11:20 AM - <strong>Quantification of heterocyclic aromatic compounds (nso-het) in unfractionated and fractionated fuel samples by comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry</strong></h5><ul><li>Pedro Victor Bomfim Bahia</li></ul><h5>11:20 - 11:40 AM - <strong>Polyaromatic hydrocarbon quantification in plastic pyrolysis oils</strong></h5><ul><li>Melissa Dunkle&nbsp;</li></ul><h5>12:20 - 12:40 PM - <strong>Sample preparation approaches coupled with GC×GC-MS for the characterization of new energy materials wastes</strong></h5><ul><li>Giulia Giacoppo</li></ul><h5>12:40 - 1:30 PM Lunch</h5><h5>1:30 - 1:40 PM<strong> - Pyrolysis and GC×GC-MS. a hot topic!</strong></h5><ul><li>Robert Cody (JEOL USA INC, PEABODY, MA, USA)</li></ul><p>Thermal desorption and pyrolysis (TD/PY) is a valuable sample introduction method for materials analysis with combined gas chromatography and mass spectrometry (GC-MS). Polymers can be identified by their characteristic pyrograms, and a database is available for the major pyrolysis products. However, pyrolysis produces much more complex mixtures than can be separated by one-dimensional gas chromatography alone!</p><p>Comprehensive two-dimensional gas chromatography combined with mass spectrometry (GC×GC-MS) is a useful approach to monitor pyrolysis reactions on a small scale and characterize the products of pilot-plant pyrolysis. High-resolution mass spectrometry and soft ionization methods (chemical ionization, photoionization, and field ionization) are essential tools for the identification of unknowns in these complex mixtures. To view things from a completely different perspective, soft ionization and pyrolysis with a deactivated fused silica column that provides _no_ GC separation shows high-molecular-weight pyrolysis products that are not detectable by GC-MS or GC×GC-MS.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Robert_Cody_Pyrolysis_and_GC_GC_MS_a_hot_topic_522ba8f036.jpg" alt="MDCW: Robert Cody - Pyrolysis and GC×GC-MS. a hot topic!" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Robert_Cody_Pyrolysis_and_GC_GC_MS_a_hot_topic_522ba8f036.jpg 234w," sizes="100vw" width="1999" height="1333"></p><h5>1:40 - 1:50 PM - <strong>Speciation of chlorine-contaning molecules in plastic pyrolysis oils&nbsp;</strong></h5><ul><li>Bruno da Costa Magalhaes</li></ul><h5>1:50 - 2:00 PM - <strong>Application of pearson correlation coefficient to two-dimensional gas chromatography high-resolution time-of-flight mass spectrometry as a comparison and discovery-based technique</strong></h5><ul><li>Michelle Corbally</li></ul><h5>2:00 - 2:10 PM<strong>&nbsp;- Ambient ultrafine particles: classification, chemical characterization, and quantification of ubiquitous pahs via DTD-GC×GC-TOFMS</strong></h5><ul><li>Nadine Gawlitta</li></ul><h5>2:10 - 2:30 PM<strong> SCSC Poster Awards</strong></h5><h5><strong>P-2: OVERCOMING THE MODULATION CHALLENGES IN TWO-DIMENSIONAL</strong><br><strong>LIQUID CHROMATOGRAPHY</strong></h5><ul><li>Rick van den Hurk<sup>1,2</sup> (<sup>1</sup>Analytical Chemistry group, van ’t Hoff Institute for Molecular Science (HIMS), Universiteit van Amsterdam, Amsterdam, Netherlands. <sup>2</sup>Centre for Analytical Sciences Amsterdam (CASA), Amsterdam, Netherlands.)</li></ul><p>To improve the applicability of two-dimensional liquid chromatography (2D-LC), much of the recent research aims to solve one of its biggest challenges: solvent incompatibility. Solvent incompatibility occurs when complementary separation modes are coupled whereby the solvent of the first dimension is a strong eluent in the second-dimension separation mode. Several modulation strategies have been developed to tackle this problem, including stationary-phase-assisted modulation (SPAM), active solvent modulation (ASM), and at-column dilution. These strategies aid in (partially) solving incompatibility for specific samples and selectivity combinations. However, they also further complicate the intricate method-development process for 2D-LC separations. During any 2D-LC method-development process, whether it be heart-cutting or comprehensive, the same question inevitably returns: Which modulation strategy should be used, if any?</p><p>Automated method-development workflows aim to answer such questions for the users. However, such automated workflows do not currently aid in selecting modulation strategies. To enable optimization algorithms to address this issue, we need to determine the exact nature of complications and the conditions under which they occur.</p><p>In this presentation, we present advancements in unifying existing theoretical and practical knowledge on modulation strategies with new findings to address challenges in the automated selection and design of modulation setups. We provide examples of common separation mechanism combinations for both small and large molecules, including reversed-phase liquid chromatography (RPLC), hydrophilic interaction chromatography, and organic size-exclusion chromatography paired with RPLC. Key parameters for consideration during the selection and design process are emphasized.</p><figure class="image"><img style="aspect-ratio:1713/2270;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_SCSC_Poster_Awards_2025_e9dbb5ec23.jpg" alt="MDCW: SCSC Poster Awards 2025 (Rick van den Hurk)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_SCSC_Poster_Awards_2025_e9dbb5ec23.jpg 118w," sizes="100vw" width="1713" height="2270"></figure><h5><strong>P-25: BREATH SAMPLING AND PATIENT CONSIDERATIONS FOR CLINICAL IMPLEMENTATION: A COMPARATIVE STUDY</strong></h5><ul><li>Thibault Massenet (University of Liège, Liège, Belgium. 2PSL University, Paris, France. 3CHU, Liège, Belgium)</li></ul><p>This study presents a comprehensive comparison of three exhaled breath sampling methods: ReCIVA, Tedlar bags, and BioVoc. To rigorously evaluate these methods, we employed the Peppermint Initiative, a standardized protocol designed to induce a temporary alteration in the exhaled breath profile. This approach allowed us to track the washout curves of volatile organic compounds (VOCs) following the ingestion of peppermint oil. The collected samples were analyzed using two-dimensional gas chromatography (GC×GC) coupled with high- and medium-resolution mass spectrometry, ensuring detailed and robust analysis.</p><p>In addition to determining the most effective and reliable sampling technique for clinical use, this study also provides an overview of the commonly used methods, highlighting their strengths and weaknesses in a clinical context as the breathomics community moves towards standardizing collection procedures. This study is currently ongoing. 5 voluntary participants for each sampling method participated to the study. Samples were injected following strict QC protocols to ensure that variability was not instrument-related. Preliminary statistical analysis suggests that variability is induced by the sampling method, potentially linked to adsorption processes, although similar washout curves across all participants support the Peppermint Initiative as a reference for breath sampling assessments.</p><p>We also considered patient comfort and gathered feedback from hospital staff involved in sampling processes to ensure that the selected method is both analytically sound and clinically practical. The primary goal of this study is to deliver a detailed evaluation of these methods concerning their potential clinical application.</p><figure class="image"><img style="aspect-ratio:1713/1900;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_SCSC_Poster_Awards_2025_2_70c4f2c2e1.jpg" alt="MDCW: SCSC Poster Awards 2025 (Thibault Massenet)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_SCSC_Poster_Awards_2025_2_70c4f2c2e1.jpg 141w," sizes="100vw" width="1713" height="1900"></figure><h5>2:30 - 2:50 PM<strong> Closing Remarks</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Closing_Remarks_Katelynn_Perrault_Uptmor_883b3ee61f.jpg" alt="MDCW: Closing Remarks (Katelynn Perrault Uptmor)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_Closing_Remarks_Katelynn_Perrault_Uptmor_883b3ee61f.jpg 209w," sizes="100vw" width="1600" height="1195"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_16th_MDCW_2025_Day_3_Pierre_Hugues_Stefanuto_Dwight_Stoll_Petr_Vozka_Katelynn_Perrault_Uptmor_40d9fd72ed.jpg" alt="MDCW: 16th MDCW 2025 (Day 3) - Pierre-Hugues Stefanuto, Dwight Stoll, Petr Vozka, Katelynn Perrault Uptmor" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_16th_MDCW_2025_Day_3_Pierre_Hugues_Stefanuto_Dwight_Stoll_Petr_Vozka_Katelynn_Perrault_Uptmor_40d9fd72ed.jpg 159w," sizes="100vw" width="1200" height="1182"></p>

16th MDCW 2025 (Day 3)

<p><strong>This webinar series demonstrates the use of the Thermo Freestyle 1.8 SP2 QF1 software for processing LCMS product-ion mass spectra &nbsp;with the NIST 23 Mass Spectral Search Program (v.3.0). &nbsp;Spectra are easily exported from Freestyle to NIST Search for component identifications utilizing the NIST MSMS libraries and any other available user, crowd-sourced, and commercial MSMS libraries. &nbsp;Freestyle is a very convenient software package for processing data obtained with the their Orbitrap LCMS instruments. &nbsp;In one run both the MS1 and MS2 spectra are obtained in both positive and negative ion modes. &nbsp;The Diode arrary and UV channels can also be easily displayed for targeting the desired species noted in LC analyses.</strong></p><h5><strong>Handout for whole series</strong></h5><ul><li>Part 1: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Part_1_Data_Processing_My_Favorite_e29bfc0816.pdf">My Favorite Processing Mode in Freestyle</a></li><li>Part 1A: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Part_1_A_Data_Processing_Preferred_plus_Nearby_Precursors_33bc95778b.pdf">Using "Nearby Precursor" Enhanced Processing Mode in FreeStyle</a></li><li>Part 2: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Part_2_Data_Processing_Alternate_99a4b51fa6.pdf">Alternate Processing Modes in Freestyle</a></li><li>Part 3: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/part_3_improved_handout_d14f81cc32.pdf">Setup of Basic Settings in Freestyle and NIST Search</a></li><li>Part 4: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Part_4_NIST_search_type_demonstration_adb3cdc1c5.pdf">Different NIST MSMS Searches Demonstrated</a></li><li>Part 5: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Part_5_Elemental_Composition_demonstration_27e151914b.pdf">Elemental Processing within Thermo Freestyle</a></li></ul><h3><span><strong>Part 1: Data Processing for NIST MSMS Search Using Thermo Freestyle Software (My Favorite Approach)</strong></span></h3><p><span>This guide outlines my preferred method for processing data in <strong>Thermo Freestyle software</strong> for <strong>NIST MSMS searches</strong>. These steps streamline data parsing and ensure accurate mass spectral interpretation for <strong>LC-MS and MSMS analyses</strong>.</span></p><h4><span><strong>Equipment &amp; Software</strong></span></h4><ul data-spread="false"><li><span><strong>Thermo Orbitrap MSMS</strong></span></li><li><span><strong>Thermo Freestyle Software</strong></span></li><li><span><strong>NIST 2023 Tandem Library</strong></span></li></ul><h4><span><strong>Orbitrap Data One Acquisition</strong></span></h4><ul data-spread="false"><li>LC-MS and MSMS Analyses</li><li><span>Non-targeted acquisition of MSMS</span></li><li><span>Positive and Negative Mode</span></li><li><span>Photo Detector Array (PDA) and UV-VIS Analyses</span></li><li><span>Example compounds:</span><ul data-spread="false"><li><span><strong>Uvinul 3000</strong></span> <i><span>(MW 214)</span></i></li><li><span><strong>Tinuvin 234</strong></span> <i><span>(MW 447)</span></i></li></ul></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_NIST_2023_Tandem_Library_Great_Resource_for_Unknown_Identifications_f4fc13b103.jpg" alt="James Little: NIST 2023 Tandem Library Great Resource for Unknown Identifications" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_NIST_2023_Tandem_Library_Great_Resource_for_Unknown_Identifications_f4fc13b103.jpg 245w," sizes="100vw" width="1384" height="854"></p><h4><span><strong>My Favorite Data Processing Workflow</strong></span></h4><ul><li>shared with me by colleague</li></ul><h5><span><strong>Step 1: Setting Up Freestyle Windows</strong></span></h5><p><span>To optimize the workspace for data processing:</span></p><ol data-spread="false"><li><span>Open <strong>three</strong> windows at the bottom of Freestyle:</span><ul data-spread="false"><li><span><strong>Top window:</strong> Positive ion MS1</span></li><li><span><strong>Second window:</strong> Negative ion MS2</span></li><li><span><strong>Bottom window:</strong> UV or PDA trace</span></li></ul></li><li><span>Save this layout in <strong>Workspace Options/Layouts</strong> to ensure automatic parsing when opening new files.</span></li><li><span>Add the <strong>Nearby Precursors</strong> feature to simplify MSMS selection (except for averaged MS spectra).</span></li></ol><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Step_1_Setting_Up_Freestyle_Windows_0dac4585f9.jpg" alt="James Little: Step 1 - Setting Up Freestyle Windows" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Step_1_Setting_Up_Freestyle_Windows_0dac4585f9.jpg 245w," sizes="100vw" width="1839" height="403"></p><h5><span><strong>Step 2: Adjusting the Window Layout</strong></span></h5><ol data-spread="false"><li><span>Use <strong>Select Filter</strong> to:</span><ul data-spread="false"><li><span>Change the top window to <strong>positive ion</strong></span></li><li><span>Change the second window to <strong>negative ion</strong></span></li><li><span>Choose <strong>PDA or UV</strong> for the bottom window</span></li></ul></li><li><span>The spectrum window will display the <strong>selected MS/MS data</strong> for further processing.</span></li></ol><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Step_2_Adjusting_the_Window_Layout_d18baf8c37.jpg" alt="James Little: Step 2 - Adjusting the Window Layout" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Step_2_Adjusting_the_Window_Layout_d18baf8c37.jpg 245w," sizes="100vw" width="1829" height="1042"></p><h5><span><strong>Step 3: Processing MSMS Data</strong></span></h5><ol data-spread="false"><li><span>Left-click in the <strong>top box</strong> for the <strong>positive ion chromatogram</strong>.</span></li><li><span>Right-click to <strong>average the spectrum</strong> in the Spectrum box.</span></li><li><span>Subtract background if necessary <strong>before averaging</strong>.</span></li><li><span>Populate the <strong>Avg Range</strong> box and select <strong>Range 1</strong>.</span></li><li><span>Go to <strong>Positive Ion Chromatogram</strong>, specify the range, and confirm.</span></li><li><span>Avoid averaging MS2 spectra when exporting to <strong>NIST search</strong>, as it will convert accurate mass to <strong>nominal mass</strong>.</span></li></ol><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Step_3_Processing_MSMS_Data_5a5e2b87b5.jpg" alt="James Little: Step 3 - Processing MSMS Data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Step_3_Processing_MSMS_Data_5a5e2b87b5.jpg 245w," sizes="100vw" width="1878" height="1059"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Step_3_Processing_MSMS_Data_1_131f4645ca.jpg" alt="James Little: Step 3 - Processing MSMS Data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Step_3_Processing_MSMS_Data_1_131f4645ca.jpg 234w," sizes="100vw" width="1513" height="1011"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Step_3_Processing_MSMS_Data_2_6ff9040f00.jpg" alt="James Little: Step 3 - Processing MSMS Data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Step_3_Processing_MSMS_Data_2_6ff9040f00.jpg 245w," sizes="100vw" width="1738" height="1046"></p><h5><span><strong>Step 4: Selecting an MS2 Spectrum for NIST Search</strong></span></h5><ol data-spread="false"><li><span>Identify an <strong>m/z value of interest</strong> (e.g., <strong>m/z 215.0702</strong>).</span></li><li><span>Apply <strong>Chromatogram range filter</strong> to isolate the target ion.</span></li><li><span>The MS2 spectrum will replace the MS1 chromatogram in the top window.</span></li><li><span>Click on the peak of interest to generate an <strong>MS2 spectrum</strong>.</span></li><li><span>Repeat the process for <strong>Negative Ion MS2 (MSMS) spectrum</strong>.</span></li><li><span>Send spectra to <strong>NIST MS search</strong> for <strong>compound identification</strong>.</span></li></ol><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Step_4_Selecting_an_MS_2_Spectrum_for_NIST_Search_271afd5538.jpg" alt="James Little: Step 4 - Selecting an MS2 Spectrum for NIST Search" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Step_4_Selecting_an_MS_2_Spectrum_for_NIST_Search_271afd5538.jpg 245w," sizes="100vw" width="1849" height="1125"></p><h3><span><strong>Conclusion</strong></span></h3><p><span>Using this workflow, Thermo Freestyle software efficiently processes LC-MS/MS data for <strong>NIST searches</strong>, ensuring accurate identification of unknown compounds. By saving custom layouts and avoiding averaged MS2 spectra, this method maximizes precision and efficiency.</span></p>

 Data Processing for NIST MSMS Search Using Thermo Freestyle Software (My Favorite Approach)

<p><strong>In the week of February 10, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over&nbsp;</p><p><strong>4 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Merck: Webinar Series &amp; Expert Roundtable (Day 1)</strong></h5><ul><li>Monday, February 10, 2025, 10:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4647">Registration</a></li></ul><p>Webinar Series &amp; Expert Roundtable (Day 1) - Navigating Quality Grades Part 1: Inorganics and Solvents for Classical Analysis and Research and Part 2: Solvents and Reagents for Chromatography Applications</p><h5><strong>2. Merck: Webinar Series &amp; Expert Roundtable (Day 2)</strong></h5><ul><li>Tuesday, February 11, 2025, 10:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4646">Registration</a></li></ul><p>Webinar Series &amp; Expert Roundtable (Day 2) - Part 1: Dihydropinene, γ-Valerolactone, and Dimethyl Isosorbide: Solvents for Organic Synthesis and Part 2: Enhance Your PFAS Testing</p><h5><strong>3. Mettler-Toledo: Laboratory Balance Cleaning</strong></h5><ul><li>Tuesday, February 11, 2025, 10:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4654">Registration</a></li></ul><p>Join our free live webinar to find out more about the benefits of and solutions for cleaning your balance.</p><h5><strong>4. Thermo Fisher Scientific: Innovations in Protein Characterization</strong></h5><ul><li>Tuesday, February 11, 2025, 11:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4730">Registration</a></li></ul><p>This live webinar will be an excellent opportunity to boost your R&amp;D capabilities and strengthen your QC analytical methods for the characterization of biotherapeutics and gene therapies.</p><h5><strong>5. Agilent Technologies: Size Exclusion Chromatography of Biomolecules: Column Selection and Method Optimization</strong></h5><ul><li>Tuesday, February 11, 2025, 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4520">Registration</a></li></ul><p>We will outline basic theory, principles, and practical guidelines on column selection for SEC method development.</p><h5><strong>6. Merck: Webinar Series &amp; Expert Roundtable (Day 3)</strong></h5><ul><li>Wednesday, February 12, 2025, 10:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4648">Registration</a></li></ul><p>Webinar Series &amp; Expert Roundtable (Day 3) - Part 1: Optimize Your Karl Fischer Titration and Part 2: Beyond Safety Standards – Best Practices for Safe Handling of Hazardous Chemicals</p><h5><strong>7. GERSTEL: Efficiency Boost Through Automation MOSH/MOAH</strong></h5><ul><li>Wednesday, February 12, 2025, 10:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4640">Registration</a></li></ul><p>In this webinar we will show you the different sample preparation methods for MOSH &amp; MOAH analyses and their automation with the GERSTEL MultiPurpose Sampler.</p><h5><strong>8. Thermo Fisher Scientific: From Biomarker Discovery to Targeted Assays with Stellar MS</strong></h5><ul><li>Wednesday, February 12, 2025, 11:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4695">Registration</a></li></ul><p>The presentation delves into the latest advancements in mass spectrometry-based proteomics, focusing on its application in clinical settings.</p><h5><strong>9. Agilent Technologies: Rapid and Sensitive Determination of Haloacetic Acids and Acrylamide in Drinking Water Using LC-Triple Quadrupole Mass Spectrometry</strong></h5><ul><li>Wednesday, February 12, 2025, 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4709">Registration</a></li></ul><p>How the Agilent LC-Triple Quadrupole mass spectrometers are utilized for the rapid and sensitive determination of haloacetic acids and acrylamide in drinking water.</p><h5><strong>10. C&amp;EN/Merck: From Challenges to Solutions: Revolutionizing Moisture Analysis with NIR and Titration</strong></h5><div><div><ul><li>Wednesday, February 12, 2025, 19:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4731">Registration</a></li></ul></div><p>Join industry experts as they explore modern approaches to moisture analysis in chemical, polymer, and petrochemical environments.</p><h5><strong>11. Waters Corporation: Unlocking the Mysteries of Liquid Chromatography : Fundamentals of Chemistry</strong></h5><div><div><ul><li>Wednesday, February 12, 2025, 19:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4751">Registration</a></li></ul></div><p>This session promises to provide valuable insights and practical tips to enhance your understanding of liquid chromatography.</p></div></div><h5><strong>12. Merck: Webinar Series &amp; Expert Roundtable (Day 4)</strong></h5><ul><li>Thursday, February 13, 2025, 10:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4649">Registration</a></li></ul><p>Webinar Series &amp; Expert Roundtable (Day 4) - Part 1: Greener Solvents - Making Big Moves for More Sustainability in the Lab! and Part 2: Tips and Tricks for LC-MS Troubleshooting.</p><h5><strong>13. Thermo Fisher Scientific: Detecting PFAS in Drinking Water for Regulations in Europe</strong></h5><ul><li>Thursday, February 13, 2025, 11:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4740">Registration</a></li></ul><p>Discover a comprehensive solution for PFAS analysis, from sample preparation to reporting, tailored to meet European regulatory standards.</p><h5><strong>14. Thermo Fisher Scientific: Tandem Micro-Flow LC-MS Proteome Analysis of Urine and Plasma to Unravel Disease ​Mechanisms and Biomarker Discovery</strong></h5><ul><li>Thursday, February 13, 2025, 11:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4704">Registration</a></li></ul><p>The presentation focuses on advancements in proteomics and metabolomics, emphasizing robust, large-scale, and high-throughput analysis.</p><h5><strong>15. Waters Corporation: Dominate Your LC-MS/MS Data, Maximize Efficiency and Bolster Regulatory Compliance with waters_connect for Quantitation 3.0</strong></h5><ul><li>Thursday, February 13, 2025, 15:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4660">Registration</a></li></ul><p>Join us for an exclusive webinar to discover how groundbreaking software is transforming LC-MS/MS workflows, delivering faster, more accurate quantitation, and future-proofing your laboratory operations.</p><h5><strong>16. Merck: Webinar Series &amp; Expert Roundtable (Day 5)</strong></h5><ul><li>Friday, February 14, 2025, 10:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4650">Registration</a></li></ul><p>Webinar Series &amp; Expert Roundtable (Day 5) - Roundtable Expert Discussion.</p>

Webinars LabRulezLCMS Week 7/2025

Article

Product

Events

Webinars

Application

Academy

Video

Poster

Scientists

Plastics

Environment

Food

Water

Health

Presentation

Scientific article

Interview

Toxicology

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Science and research

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Various

PFAS 

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Type of News

Focus

The Multidimensional Chromatography (MDC) Workshop draws experts in this exciting field to share and discuss their research.

The Multidimensional Chromatography Workshop

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.

LabRulez

SciY, a vendor-agnostic Bruker BioSpin division, drives R&D and manufacturing digitalization and automation. Its harmonized solutions cover experiment design, data management, analysis, automation, and AI readiness, empowering next-generation self-driving labs and factories.

SciY/Mestrelab Research

My main interest is the identification of organic compounds by mass spectrometry in organic mixtures.

Webinars LabRulezLCMS Week 7/2025

16th MDCW 2025 (Day 3)

Data Processing for NIST MSMS Search Using Thermo Freestyle Software (My Favorite Approach)

16th MDCW 2025 (Day 2)

Introducing Chrom SST: Automated and Accurate Instrument Performance Insights

News from LabRulezLCMS Library - Week 6, 2025

16th MDCW 2025 (Day 1)

16th MDCW 2025 - Short Course (Day 0)

Webinars LabRulezLCMS Week 6/2025

Synthesis and absolute configuration of cyclic synthetic cathinones derived from α-tetralone

Upcoming events

Bruker at SOFT-TIAFT 2026

Thermo Fisher Scientific at SOFT/TIAFT 2026

Thermo Fisher Scientific Environmental & Food Safety Workshop Series 2026

Webinars

Extending the power of LC MS/MS: advanced workflows with QTRAP®

Improving Efficiency in Routine PFAS Analysis Using EPA Methods 533 and 1633A

Expanding the Evidence: New Data for More Reliable PFAS Analysis