Metabolomic and Proteomic Analysis of ApoE4-Carrying H4 Neuroglioma Cells in Alzheimer’s Disease Using OrbiSIMS and LC-MS/MS

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 30th September 2024? 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 to you applications by <strong>Shimadzu</strong>, <strong>Thermo Fisher Scientific,</strong> <strong>Waters Corporation</strong>, and <strong>Metrohm </strong>and a tech nical note by <strong>Agilent Technologies</strong>!</p><h4><strong>1. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/te_openlab_oligo_analysis_accelerator_5994_7798en_agilent_d8503d3d3c.pdf"><strong>Purity, Assay, and Impurity Profiling of Single-Stranded Oligonucleotides Using Agilent Oligo Analysis Accelerator for OpenLab CDS</strong></a></h4><ul><li>Technical note</li></ul><p><strong>Introduction</strong></p><p>Challenges with therapeutic synthetic oligonucleotides include determining the sample purity, label claim or assay, and quantitation of impurities. Traditional HPLC methods that rely on 260 nm UV detection may not have the necessary sensitivity or specificity for quality control (QC) testing. Using a more selective detector such as a mass spectrometer is a viable approach for QC testing needs. Although LC/MS methods are a mainstay for characterization of oligos, many high-resolution accurate mass detectors may not have the robustness needed in a routine testing environment such as QC. Additionally, a high level of technical expertise is often required for MS operation, data analysis, and data interpretation.</p><p>A more practical approach uses a single quadrupole detector that is both sufficiently selective and sensitive enough for purity, assay, and impurity profiling of oligos. Given its relatively high mass range and sensitivity in full scan mode, the Agilent InfinityLab LC/MSD XT can meet the demands for LC/MS QC.</p><p>As demonstrated by Rentel et al.,1 the LC/MSD XT can be used and validated for the QC lot release of oligos. However, one challenge that remains is the complex, multistep data analysis which requires the extraction of several extracted ion chromatograms and manual integrations. Performing these operations in a chromatography data system (CDS) while meeting compliance requirements can be time consuming. Manual transcriptions by the analyst may lead to a high margin of error, further delaying decision making.</p><p>This technical overview will address the Oligo Analysis Accelerator (OAA) for Agilent OpenLab CDS. This software add-on acts as the data analysis front end to OpenLab CDS, leveraging built-in technical controls that help meet data integrity and compliance requirements. By performing overlays, integrations, and calculations in a fit-for-purpose user interface, data analysis is significantly streamlined. This not only saves time-on-task but also improves data quality.</p><p><strong>Summary</strong></p><p>The final step in the workflow is to review the results. This includes the SST results shown in previous steps, as well as purity and identity results. Assay results may vary depending on which formulation was selected for the sample.</p><p>It is important to note that the summary itself is not the report. An OpenLab CDS report template must still be used to report the results for review. Further, any electronic signatures and approvals occur within OpenLab CDS, not in OAA. Again, this is because OAA leverages the already existing data compliance engine within the OpenLab CDS platform.</p><p><strong>Future considerations</strong></p><p>LC/MS data analytical workflows have been confined to data systems either used to interpret spectra or chromatograms. However, the need for more user-friendly, fit-for-purpose data analysis is becoming increasingly important for the development of complex therapeutics such as oligonucleotides.&nbsp;</p><p>Agilent Oligo Analysis Accelerator for OpenLab CDS is a paradigm shift in the way software is being developed.</p><h4><strong>2. Waters Corporation: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008495_en_8ac74493e3.pdf"><strong>Repeatability and Reproducibility of the Oasis™ WAX/GCB for PFAS Analysis Cartridges in Aqueous Samples for EPA Method 1633</strong></a></h4><ul><li>Application</li></ul><p><strong>Abstract</strong></p><p>In January 2024, EPA Method 1633 was finalized. EPA Method 1633 is the first method to incorporate the determination of 40 PFAS compounds across many challenging environmental sample matrices outside of drinking water, including non-potable waters (ground water, surface water, and wastewater) as well as soil, biosolids, and tissue by LC-MS/MS analysis. EPA Method 1633 requires use of both weak anion exchange (WAX) solid phase extraction with graphitized carbon black (GCB) cleanup and is a performance-based method allowing for modifications as long as acceptance criteria for recoveries and %RSDs are met.</p><p>This application note highlights the sample extraction for non-potable aqueous samples in EPA Method 1633 using a dual-phase, or bilayer cartridge: Oasis WAX/GCB for PFAS Analysis meeting the method acceptance criteria and displays reproducibility of the cartridges.</p><p><strong>Benefits</strong></p><ul><li>Oasis WAX/GCB for PFAS Analysis, a dual-phase cartridge is reproducible and repeatable for EPA Method 1633 aqueous samples in both inter- and intra-batch assays</li><li>Reduction of manual steps, overall sample preparation time by use of the dual-phase SPE cartridge</li><li>Acceptance criteria for recoveries and %RSDs are met for EPA Method 1633 for aqueous samples</li></ul><p><strong>Conclusion</strong></p><p>This study demonstrates the reproducibility of the dual-phase Oasis WAX/GCB for PFAS Analysis cartridges for determination of 40 PFAS and standards using the ACQUITY UPLC I-Class System and Xevo TQ-XS Mass Spectrometer. The cartridges are suitable for PFAS analysis in accordance with EPA 1633 guidelines for recovery and %RSD. The WAX/GCB cartridges show excellent repeatability across multiple product lots and within multiple replicates of each lot across non-potable water samples. The data demonstrates Oasis WAX/GCB for PFAS Analysis cartridges are ideally suited for PFAS analysis from complex matrices, such as non-potable waters like those described in EPA Method 1633. Out of the box performance is expected lot to lot and within a lot for SPE when using Oasis WAX/GCB for PFAS Analysis.</p><h4><strong>3. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ab_003164_en_dllme_triplus_pfas_15478b8469.pdf"><strong>Dispersive liquid-liquid micro-extraction for the automated sample preparation of PFAS in drinking water</strong></a></h4><ul><li>Application</li></ul><p><strong>Application benefits</strong></p><ul><li>Improved sensitivity: DLLME provides high enrichment factors, which can improve the detection sensitivity of PFAS in drinking water samples, down to challenging regulatory detection and reporting limits.</li><li>Cost-effective: DLLME uses a small volume of solvent, which not only reduces the cost but also makes the method more environmentally friendly.</li><li>Versatility: DLLME can be employed for the analysis of a wide range of PFAS classes, followed by either high performance liquid chromatography or gas chromatography as a separation technique, coupled to tandem mass spectrometry or high-resolution accurate mass as detection method.</li></ul><p><strong>Goal</strong></p><p>To demonstrate a comprehensive method for the analysis of per- and polyfluoroalkyl substances (PFAS) by harnessing the potential of automated sample preparation on the Thermo Scientific™ TriPlus™ RSH SMART liquid handling station, with dispersive liquid-liquid micro extraction (DLLME) as a simple, cost-effective, and versatile extraction and pre-concentration technique. This was performed on LC-MS, but the same workflow can be also applied to GC-MS.</p><p><strong>Keywords:</strong> DLLME, PFAS, sample preparation, automation, liquid handling, drinking water</p><p><strong>Conclusions</strong></p><p>The DLLME method presented in this work is a promising technique for the extraction and pre-concentration of PFAS from drinking water samples. Thanks to the described careful optimization and validation of the method, it provides an automated, fast, efficient, and green alternative to traditional and manual extraction methods. As compared to SPE procedures, the only manual steps consist in adding internal standards and an acidic solution to the sample, and then the TriPlus RSH SMART instrument will perform the extraction automatically, while for SPE procedures, the rest of the steps are mostly manual. This workflow allows laboratories to overcome the challenges associated with this analysis, providing high enrichment factors for all the different compound classes studied, as well as good reproducibility and robustness of the extraction process. In summary, the presented automated DLLME sample preparation has the following advantages:</p><ul><li>Reduced sample volume (15 mL) for easy sample handling, transportation, and storage.</li><li>Cost reduced by low solvent usage and no need for filters or SPE cartridges.</li><li>Automation enables reproducible and accurate results, with low inner- and cross-contamination.</li><li>Short runtime and automated process managed by Chromeleon software saves time and allows staff to perform more profitable activities.</li><li>The short runtime of the TriPlus RSH SMART instrument opens the possibility to feed one or more analytical instruments, including HPLC-MS or GC-MS technologies.</li><li>The extraction protocol without using filters and based on the use of low-density solvent for extraction can open the way for the extraction of other matrices such as wastewater.</li></ul><h4><strong>4. Shimadzu: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00658_en_79d68e6421.pdf"><strong>Efficient Data Analysis with Peakintelligence - Application for Analyzing Per- and Polyfluoroalkyl Substances (PFAS)</strong></a></h4><ul><li>Application</li></ul><p><strong>User Benefits</strong></p><ul><li>Peakintelligence peak integration software substantially reduces the time and effort required for data analysis in PFAS analysis.</li><li>Since it does not require parameter settings, Peakintelligence allows even inexperienced users to perform peak integration and achieve results on par with experienced workers.</li></ul><p><strong>Introduction</strong></p><p>Per- and polyfluoroalkyl substances (PFAS) are lyophobic, heat resistant, and chemically resistant compounds used extensively as coatings, surface treatment agents, emulsifiers, and fire-extinguishing agents. Concerns about PFAS and their persistence in the environment, accumulation in living organisms, toxicity to living organisms, and ability to travel long distances have recently led to fact-finding studies on PFAS and the introduction of regulations. As of October 2023, only three PFAS are subject to regulatory restrictions in Japan (PFOS, PFOA, and PFHxS), but more are subject to restrictions in the USA and Europe. Throughout the world, an increasing number of PFAS are expected to require analysis. These changes will create more analytical data that will have to be processed, creating a need for more efficient methods of data analysis.</p><p>Peakintelligence is a peak integration software equipped with peak-finding algorithms that have been developed with the help of artificial intelligence (AI). This Application News describes a case example in which it was used to process chromatogram data of PFAS analysis and reduce the effort required and increase the efficiency of the analysis.</p><p><strong>Conclusion</strong></p><p>Using Peakintelligence to process peaks in PFAS analysis substantially reduced the number of false detections and falsely identified peaks. It also significantly reduced the number of peaks that required manual processing, and it did not need pre-analysis adjustment of parameters. These improvements enable substantial reductions in the time and effort required to perform data analysis. Avoiding parameter settings by the user also eliminates variability in the results between users, which helps eliminate dependency on specific personnel. As the number of PFAS requiring analysis increases throughout the world, a more efficient method of analyzing peaks will be needed; Peakintelligence is an effective solution for this need.</p><h4><strong>5. Metrohm: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_v_239_download_6884b899af.pdf"><strong>Iron speciation in LiFePO<sub>4</sub> batteries</strong></a></h4><ul><li>Application</li></ul><h5><strong>Simultaneous determination of Fe(II) and Fe(III) in lithium iron phosphate with the Multi-Mode Electrode pro</strong></h5><p>Lithium iron phosphate (also known as LiFePO<sub>4</sub> or lfp) batteries last for over 2000 charges and are safer because of their lower risk of overheating. LiFePO4 batteries have a slightly lower energy density compared to lithium-ion batteries. However, high discharge rates of lfp batteries make them ideal for electric vehicles, renewable energy storage, and backup power systems. Lithium iron(II) phosphate is used as a cathode material in lithium iron phosphate batteries. Characterization of lfp and monitoring the oxidation state of iron in lfp batteries is relevant to battery performance in terms of durability, capacity, and safety. Additionally, analyzing chemical composition can be useful for battery research and can aid eco-friendly recycling practices. This is essential for driving battery technology forward and promoting clean energy solutions.</p><p>Polarographic speciation of Fe(II) and Fe(III) can be used to evaluate the purity of LiFePO4 and its usability as a cathode material in lithium iron phosphate batteries. It can further be used to study the concentrations of Fe(II) and Fe(III) in the cathode material after several charging and discharging cycles to evaluate the aging behavior.</p>

News from LabRulezLCMS Library - Week 40, 2024

<p><strong>What chemicals are we exposed to on a daily basis? That is the central question of ‘non-targeted analysis’ or NTA, an emerging field of analytical science that aims to identify all chemicals around us. A daunting task, because how can you be sure to detect everything if you don’t know exactly what you’re looking for? In a paper in Environmental Science and Technology, researchers at the Universities of Amsterdam (UvA, the Netherlands) and Queensland (UQ, Australia) assess this problem. In a meta-analysis of NTA results published over the past six years, they estimate that less than 2% of all chemicals have been identified.</strong></p><p>According to Viktoriia Turkina who performed the research as a PhD student with Dr Saer Samanipour&nbsp; at the UvA’s Van ‘t Hoff Institute for Molecular Sciences, this limitation underscores the urgent need for a more proactive approach to chemical monitoring and management. “We need to incorporate more data-driven strategies into our studies to be able to effectively protect the human and environmental health”, she says.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/University_of_Amsterdam_HIMS_There_is_much_to_improve_in_identifying_all_the_chemicals_around_us_Viktoriia_Turkina_de5a1652e1.jpg" alt="University of Amsterdam / HIMS: Viktoriia Turkina." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_University_of_Amsterdam_HIMS_There_is_much_to_improve_in_identifying_all_the_chemicals_around_us_Viktoriia_Turkina_de5a1652e1.jpg 164w," sizes="100vw" width="700" height="665"></p><p>Samanipour explains that current monitoring of chemicals is rather limited since it’s expensive, time consuming, and requires specialized experts. “As an example, in the Netherlands we have one of the most sophisticated monitoring programs for chemicals known to be of concern to human health. Yet we target less than 1000 chemicals. There are far more chemicals out there that we don't know about.”</p><h4><strong>A vast chemical space</strong></h4><p>To deal with those chemicals, some 15 to 20 years ago the concept of <i>non-targeted analysis</i> was introduced to look at possible exposure in an unbiased manner. The idea is to take a sample from the environment (air, water, soil, sewer sludge) or the human body (hair, blood, etc ) and analyse it using well-established analytical techniques such as chromatography coupled with high resolution mass spectroscopy. The challenge then is to trace the obtained signal back to the structures of chemicals that may be present in the sample. This will include already known&nbsp; chemicals, but also chemicals of which the potential presence in the environment is yet unknown.</p><p>In theory, this ‘chemical space’ includes as many as 10<sup>60</sup> compounds, an incomprehensible number that exceeds the number of stars in the universe by far. On the other hand, the number of organic and inorganic substances published in the scientific literature and public databases is estimated at around 180 million. To make their research even more manageable, Turkina, Samanipour and co-workers focused on a subset of 60.000 well-described compounds from the NORMAN database. Turkina: “This served as the reference to establish what is covered in NTA studies, and more importantly, to develop an idea about what is being overlooked.”</p><blockquote><p><i>The vast ‘exposome’ of chemicals that humans are exposed to on a daily basis is a sign of our times, according to Samanipour. “These days we are soaking in a giant ocean of chemicals. The chemical industry is part of that, but also nature is running all a whole bunch of reactions that result in exposure. And we expose ourselves to chemicals by the stuff we use - think for instance of the problem of microplastics. To solve all this we have to be able to go beyond pointing fingers. With our research, we hope to contribute to finding a solution together. Because we all are in the same boat.”</i></p></blockquote><div><div><div><div><h4><strong>Much room for improvement</strong></h4><p>The meta analysis, which included 57 NTA papers, revealed that only around 2% of the estimated chemical space was covered. This can indicate that the actual exposure to chemicals is indeed quite low, however, it can also point to shortcomings in the applied analyses. According to Turkina and Samanipour, the latter is indeed the case. They focused on NTA studies applying liquid chromatography coupled with high resolution mass spectrometry (LC-HRMS) -one of the most comprehensive methods for the analysis of complex environmental and biological samples.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/University_of_Amsterdam_HIMS_There_is_much_to_improve_in_identifying_all_the_chemicals_around_us_Saer_Samanipour_5c78a79b5b.jpg" alt="University of Amsterdam / HIMS: Saer Samanipour." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_University_of_Amsterdam_HIMS_There_is_much_to_improve_in_identifying_all_the_chemicals_around_us_Saer_Samanipour_5c78a79b5b.jpg 180w," sizes="100vw" width="700" height="606"></p><div><p>It turned out that there was much room for improvement. For instance in sample preparation, they observed a bias towards specific compounds rather than capturing a more diverse set of chemicals. They also observed poor selection and inconsistent reporting of LC-HRMS parameters and data acquisition methods. “In general”, Samanipour says, “the chemical analysis community is to a great extent driven by the available technology that vendors have developed for specific analysis purposes. Thus the instrumental set-up and data processing methods are rather limited when it comes to non-targeted analysis.”</p><p>To Samanipour, the NTA approach is definitely worth pursuing. “But we need to develop it further and push it forward. Together with vendors we can develop new powerful and more versatile analytical technologies, as well as effective data analysis protocols.” He also advocates a data-driven approach were the theoretical chemical space is ‘back calculated’&nbsp; towards a subset of chemicals that are highly likely to be present in our environment. “Basically we have to better understand what is the true chemical space of exposure. And once those boundaries are defined, then it becomes a lot easier to assess that number of 2% we have determined.”</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/University_of_Amsterdam_HIMS_EST_There_is_much_to_improve_in_identifying_all_the_chemicals_around_us_Distribution_of_all_chemicals_found_in_the_reviewed_articles_orange_overlaid_on_top_6a16bff0b0.jpg" alt="University of Amsterdam / HIMS / EST: Distribution of all chemicals found in the reviewed articles (orange), overlaid on top." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_University_of_Amsterdam_HIMS_EST_There_is_much_to_improve_in_identifying_all_the_chemicals_around_us_Distribution_of_all_chemicals_found_in_the_reviewed_articles_orange_overlaid_on_top_6a16bff0b0.jpg 245w," sizes="100vw" width="777" height="441"></p></div></div></div></div></div>

There is much to improve in identifying all the chemicals around us 

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The University of Amsterdam is one of the largest comprehensive universities in Europe. With some 40,000 students, 6,000 staff, 3,000 PhD candidates, and an annual budget of more than 850 million euros, it is also one of Amsterdam’s biggest employers.

There is an inseparable link between the university and its host city. The freedom and creativity with which Amsterdam has long been associated have worked their way into the fabric of the university. This is a place where individuality, authenticity and diversity are celebrated as sources of stimulation, inspiration and innovation.

Professional and personal development, challenges and collaboration are undertaken in a versatile and multidimensional (inter)national ecosystem with leading stakeholders. Staff at the UvA make a meaningful contribution to uncovering solutions to some of the world’s most significant problems and to developing the next generation of talent.

University of Amsterdam

Separation Science

Agilent Technologies

Bruker

Plasmion

Spectroscopy & Separation Science

<h3><strong>Direct screening enables fast identification and comparison of substances</strong></h3>
<p>Fast &amp; Direct Screening enables to identify or compare different substances without any sample preparation.</p>
<h3><strong>Screening with quantification delivers reliable concentration levels</strong></h3>
<p>Screening with quantification not only enables a fast identification of substances but also provides reliable information about concentration levels to compare with standards or thresholds.</p>
<h3><strong>Automated all-in-one workflow simplifies routine analytics</strong></h3>
<p>All-in-one-Workflow reduces effort and cost in routine analytics as it enables to only perform detailed GC-MS analysis for positively screened samples.</p>
<h4><strong>Conventional Ionization Technologies</strong></h4>
<p>With conventional atmospheric pressure methods, the ions are mostly <strong>formed outside the inlet of an MS</strong>. This implies that the substance to be analyzed (e.g. coffee) cannot be analyzed directly, but is usually &quot;sprayed&quot; into the MS in the form of a sample (liquid extract) via the ionization source.</p>
<h4><strong>SICRIT® Technology</strong></h4>
<p>The SICRIT® (Soft Ionization by Chemical Reaction In Transfer) ionization source is <strong>interfaced with</strong> the atmospheric pressure <strong>inlet of the MS</strong> and ionizes every substance which is drawn into the MS by its inherent vacuum.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Plasmion_Conventional_MS_Ionization_Technologies_vs_SICRIT_Technology_8999716e25/Plasmion-Conventional-MS-Ionization-Technologies-vs.-SICRIT(r)-Technology.png" alt="Plasmion: Conventional MS Ionization Technologies vs. SICRIT® Technology"/></p>
<h4><strong>SICRIT® Characteristics</strong></h4>
<ul>
<li>Simple extension of MS inlet</li>
<li>Concentric dielectric barrier discharge</li>
<li>Sample ionized during transfer into MS</li>
<li>Soft ionization by proton transfer and UV light</li>
<li>No consumables</li>
</ul>


Plasmion: Direct MS Screening - Get Results Faster with SICRIT

Direct MS Screening - Get Results Faster with SICRIT

<p><strong>Agilent and GERSTEL are happy to host this 4-day live virtual seminar discussing how you can assure safety, authenticity, and quality of alcoholic beverages. The focus will be on sharing the latest in technology developments and capabilities, new applications, and customer stories. Topics include spirits, wine, beer, and cider.  There is something for everyone in this seminar series and we are glad to see you here.</strong></p>
<h3><strong>Presentation 1: Characterizing free and bound monoterpene alcohols in wine fermentations</strong></h3>
<ul>
<li><strong>Presenter: Prof. Susan Ebeler</strong> (Professor, Department of Viticulture and Enology, University of California, Davis)</li>
<li><strong>Presenter: Dr. Larry Lerno</strong> (Director, Food Safety and Measurement Facility, University of California, Davis)</li>
</ul>
<p>Monoterpenes and their glycosidically boud pre-cursors contribute important aroma characteristics to many grape and wine varieties. This presentation will describe multi-dimensional approaches to characterize free and glycosidically-bound monoterpenes in grapes and wines. Glycosidically-bound terpenes are isolated from grapes and the aglycones identified by hydrolysis followed by SPME-GC/MS. The intact glycosides are tentatively identified by ultrahigh performance liquid chromatography quadrupole time of flight mass spectrometry (UHPLC-QTOF/MS). This work enhances understanding of the ways that monoterpenyl glycosides contribute to grape and wine volatile aroma composition.</p>
<h5><strong>Key Learning Objectives/What attendees will learn:</strong></h5>
<ul>
<li>Role of free and glycosidically bound monoterpenes on grape and wine aroma and flavor.</li>
<li>Analytical approaches using SPME-GC/MS and UHPLC-QTOF/MS to identify and monitor glycosidically-bound monoterpenes in grapes and wines.</li>
<li>Information about impacts of fermentation conditions on glycosidically-bound monoterpenes in wine</li>
</ul>
<h5><strong>Who Should Attend:</strong></h5>
<p>Analytical chemists, food and wine chemists, anyone with interest in food and wine flavor and aroma</p>
<h3><strong>Presentation 2: Solventless Extraction Techniques for the Analysis of Wine</strong></h3>
<ul>
<li><strong>Presenter: Dr. John Stuff</strong> (Manager, Analytical Services Group, GERSTEL)</li>
</ul>
<p>This talk will focus on solventless extraction techniques for the analysis of wines. Examples of each technique will be presented. The advantages and disadvantages of each technique will be discussed.</p>
<h5><strong>Key Learning Objectives/What attendees will learn:</strong></h5>
<ul>
<li>Different solventless extraction techniques for the analysis of beverages</li>
<li>Advantages and disadvantages of each technique</li>
</ul>
<h5><strong>Who Should Attend:</strong></h5>
<p>Anyone involved in the analysis of beverages, food, flavor or fragrances</p>
<h3><strong>Presentation 3: Effect of Winemaking on Element Profiles and Arsenic Species</strong></h3>
<ul>
<li><strong>Presenter: Dr. Jenny Nelson</strong> (Applications Scientist, Agilent Technologies)</li>
</ul>
<p>Metals and minerals play important roles in the production of wine and can impact the overall quality of the finished product. Although a wine’s element content is known to be influenced by environmental conditions originating in the vineyard, it is not entirely understood how winemaking processes impact the final metal concentrations. After a long 2 year study, we are ready to share findings on metals and minerals role in the production of wine and the impact on overall quality. The elemental content of wine is known to be influenced by environmental conditions originating at the vineyard, however, it is not known how winemaking processes impact the final metal concentrations.</p>
<h5><strong>Key Learning Objectives/What attendees will learn:</strong></h5>
<ul>
<li>How metals and minerals play an important role in the production of wine.</li>
<li>How to use elemental fingerprinting for the geographic determination of wine.</li>
<li>How ICP-MS is used in the wine industry.</li>
</ul>
<h5><strong>Who Should Attend:</strong></h5>
<p>Anyone interested in elemental analysis of wine</p>
<blockquote>
<p><strong>Presenter: Prof. Susan Ebeler (Professor, Department of Viticulture and Enology, University of California, Davis)</strong></p>
</blockquote>
<blockquote>
<p>Dr. Ebeler is a professor in the Department of Viticulture and Enology at UC Davis. She seeks to answer questions about food and beverage flavor, quality and health effects, using analytical tools including gas chromatography-mass spectrometry, and high-performance liquid chromatography-mass spectrometry, to study the effects of agricultural practices, fermentation, processing, and storage on composition of grapes, wines, and other foods and beverages.</p>
</blockquote>
<blockquote>
<p><strong>Presenter: Larry Lerno, PhD (Director, Food Safety and Measurement Facility, University of California, Davis)</strong></p>
</blockquote>
<blockquote>
<p>Dr. Lerno is a specialist in the Department of Viticulture and Enology at UC Davis where he serves as the Director of Research of the UC Davis Food Safety and Measurement Facility. Dr. Lerno uses gas and liquid chromatography coupled to mass spectrometric detectors to explore the aroma, flavor, and taste compounds in foods and beverages and how agricultural, processing, and environmental factors may effect these compounds.</p>
</blockquote>
<blockquote>
<p><strong>Presenter: John Stuff, PhD (Manager, Analytical Services Group, GERSTEL)</strong></p>
</blockquote>
<blockquote>
<p>Dr. Stuff’s is currently Manager of the Analytical Services Group with GERSTEL, Inc in Baltimore, MD. He is responsible for methods development for sample preparation and introduction for gas chromatography-mass spectrometry. He develops and teaches customer training classes, gives seminars and posters at national and international meetings, conducts new product testing, and supports pre- and post-sales opportunities. He provides expert analytical support to a wide customer base including, food, flavor, fragrance, forensic, environmental, and chemical industries.</p>
</blockquote>
<blockquote>
<p><strong>Presenter: Jenny Nelson, PhD (Application Scientist, Agilent Technologies, Inc.)</strong></p>
</blockquote>
<blockquote>
<p>Jenny Nelson received her Ph.D. in Analytical Chemistry from the University of Cincinnati in 2007, and her MBA from Saint Mary’s College of California in 2011. Currently, Jenny is an Application Chemist for the Life Science and Chemical Analysis team at Agilent Technologies, joining in 2012 (with a step away in 2019). Jenny is also an Adjunct Professor in the Department of Viticulture and Enology at University of California, Davis since 2013. Jenny has been very active with AOAC and ASTM over the past 8 years, serving on expert review panels, chairing committees, and volunteering to develop new methods needed by the industry.</p>
</blockquote>


Agilent Technologies: Alcoholic Beverages Virtual Seminar

Alcoholic Beverages Virtual Seminar - Wine

Characterizing free and bound monoterpene alcohols in wine fermentations & Solventless Extraction Techniques & Element Profiles and Arsenic Species.

<p><strong>Agilent and GERSTEL are happy to host this 4-day live virtual seminar discussing how you can assure safety, authenticity, and quality of alcoholic beverages. The focus will be on sharing the latest in technology developments and capabilities, new applications, and customer stories. Topics include spirits, wine, beer, and cider.  There is something for everyone in this seminar series and we are glad to see you here.</strong></p>
<h3><strong>Presentation 1: Identification of Markers of Consumer Acceptability in Lager Beer</strong></h3>
<ul>
<li><strong>Presenter: Benjamin Gelinas</strong> (Postdoctoral Researcher, Ohio State University)</li>
</ul>
<p>Beer remains the largest alcoholic beverage category in terms of volume of consumption, with lager beer being the largest style. An un-targeted flavoromics approach coupling consumer acceptability ratings of 15 lager beers was used to identify markers of consumer acceptability in beer. Top variables of importance were isolated, quantified, and identified prior to recombination studies to demonstrate the effect of these compounds on consumer acceptance and preference.</p>
<h5><strong>Key Learning Objectives/What attendees will learn:</strong></h5>
<ul>
<li>Improved understanding of chemical drivers of beer on acceptance</li>
<li>Improved understanding of the role of iso-humulones on bitterness in beer</li>
<li>Implications of ingredients and processing on flavor and consumer acceptance</li>
</ul>
<h5><strong>Who Should Attend:</strong></h5>
<p>Personnel involved in the production of lager beer or lager beer ingredients</p>
<h3><strong>Presentation 2: LC-MS Analysis of Hop-Derived Humulone Constituents in Beer</strong></h3>
<ul>
<li><strong>Presenter: Prof. Bruce C. Hamper</strong> (Associate Teaching Professor, University of Missouri – St. Louis)</li>
</ul>
<p>Hops are essential ingredients for the brewing of beer, providing bitter flavors, desirable taste and hops aroma in the final product. The contribution of humulones and related components in hops to bitter flavors in beer is dependent on numerous factors including the quality, variety and quantity of hops used, specific addition protocols during the brewing recipe, nature of other ingredients and details of the brewing process.  Liquid chromatography-mass spectrometry (LC-MS) using electrospray ionization coupled with selective ion monitoring (SIM-MS) is particularly useful for profiling the compounds obtained from hops utilization during brewing.  Small scale brews from university brewing courses can be compared and evaluated in an efficient manner. </p>
<h5><strong>Key Learning Objectives/What attendees will learn:</strong></h5>
<ul>
<li>Importance of LC-MS using selective ion monitoring for rapid analysis of complex samples.</li>
<li>Impact of key ingredients used in the brewing of beer on beer flavor.</li>
<li>Key features of hops components and their contribution to beer bitterness.</li>
</ul>
<h5><strong>Who Should Attend:</strong></h5>
<p>This webcast will be of interest to scientists using analytical techniques for measurement of multiple components in complex mixtures.  Focusing on food analysis provides intriguing examples that can relate to everyday experience and capture the imagination.  Science educators will be interested in the application of these techniques to classroom and laboratory exercises.</p>
<h3><strong>Presentation 3: A HS-SPME Arrow/GC-MS Method for Determination of Smoke Taint-Related Volatile Phenols in Humulus lupulus</strong></h3>
<ul>
<li><strong>Presenter: Stacey Williams</strong> (Senior Chemist, New Belgium Brewing Company)</li>
<li><strong>Presenter: Justin Alexander</strong> (Analytical Chemist, New Belgium Brewing Company)</li>
</ul>
<p>With a record-breaking fire season across the Western US, an unknown number of food crops were exposed to significant quantities of smoke. Due to the length of the season, Humulus lupulus (hops) were exposed to smoke prior to harvest and during processing. Guaiacol and 4-methylguaiacol (4MG) are routinely used as markers to determine the extent of smoke-taint in the wine industry. Quantitating these compounds in smoke-exposed hops prior to use in the brewing process is needed to predict the likelihood of perceptible smoke taint in finished beer. This presentation encompasses the validated analytical method to accurately quantitate unbound guaiacol and 4-methylguaiacol in smoke-exposed hops.</p>
<h5><strong>Key Learning Objectives/What attendees will learn:</strong></h5>
<ul>
<li>Potential challenges in the raw material supply chain for the brewing industry</li>
<li>Validation of an analytical method</li>
<li>The impact of high aroma active volatiles (i.e., phenols) to beer</li>
</ul>
<h5><strong>Who Should Attend:</strong></h5>
<p>Anyone interested in potential wildfire risks to food crops, especially those handling raw materials used in the brewing industry</p>
<blockquote>
<p><strong>Presenter: Benjamin Gelinas (Postdoctoral Researcher, Ohio State University)</strong></p>
</blockquote>
<blockquote>
<p>Ben Gelinas is a postdoctoral researcher at Ohio State University whose primary research focuses on Beer and Beer acceptability. Ben’s background is in analytical flavor chemistry working at the Flavor Research and Education Center at Ohio State University.</p>
</blockquote>
<blockquote>
<p><strong>Presenter: Prof. Bruce C. Hamper (Associate Teaching Professor, University of Missouri – St. Louis)</strong></p>
</blockquote>
<blockquote>
<p>Prof. Bruce Hamper teaches courses in brewing science and general chemistry at the University of Missouri-St. Louis. He leads a research group investigating synthesis and analysis of organic compounds and potential pharmaceutical agents. Current research includes development of synthetic methods for preparation of biomolecules using continuous flow processing. His group is also involved in development of analytical methods for profiling components in fermented beverages.</p>
</blockquote>
<blockquote>
<p><strong>Presenter: Stacey Williams (Senior Chemist, New Belgium Brewing Company)</strong></p>
</blockquote>
<blockquote>
<p>Stacey Williams earned a BS in Chemistry at Metropolitan State College in Denver. She has extensive experience in high performance liquid chromatography (HPLC), gas chromatography (GC) and mass spectrometry through her work in pharma, biopharma and the beer industry. She is currently a principal scientist at New Belgium in the QA lab with responsibilities including method development, validation, gas chromatography - olfactory (GC-O) and instrument troubleshooting.</p>
</blockquote>
<blockquote>
<p><strong>Presenter: Justin Alexander (Analytical Chemist, New Belgium Brewing Company)</strong></p>
</blockquote>
<blockquote>
<p>Justin Alexander graduated from Colorado State University with a Bachelor of Science in Fermentation Science &amp; Technology with a Minor in Food Science &amp; Safety. He has multiple years of experience in ultra-performance liquid chromatography (UPLC), primarily focusing on hop bittering components, organic acids, and fermentable carbohydrates. He currently holds a Scientist role in Quality Assurance at New Belgium Brewing Company in the Analytical Chemistry Lab.</p>
</blockquote>


Alcoholic Beverages Virtual Seminar - Beer

Markers of Consumer Acceptability in Lager Beer & LC-MS Hop-Derived Humulone Constituents in Beer & HS-SPME Arrow/GC-MS of Smoke Taint-Related Volatile Phenols.

<p><strong>Per- and polyfluoroalkyl substances (PFAS), an emerging class of toxic anthropogenic chemicals persistent in the environment, are currently regulated at the low part-per-trillion level worldwide in drinking water. Quantification and screening of these compounds currently rely primarily on liquid chromatography mass spectrometry (LC-MS).</strong></p>
<p>To better meet the regulatory demands of rapid screening of these chemicals, the hyphenating of solid phase microextraction (SPME) with direct analysis in real time (DART) will be demonstrated. PFAS analysis screened rapidly by DART on the Bruker EVOQ triple quadrupole using LC free workflows demonstrates a significant increase in productivity whilst also presenting a more economical and a greener solution for the lab.</p>
<p>Join us live for the real-time analysis of PFAS with SPME-DART-MS and discover the power of our cutting-edge instrumentation and technologies. </p>
<blockquote>
<p><strong>Presenter:</strong> William Fatigante (Applications Scientist, DART-MS at Bruker Applied Mass Spectrometry)</p>
</blockquote>


Bruker Applied Mass Spectrometry - Chromatography-Free Screening of PFAS Enabled Through SPME-DART-MS

Chromatography-Free Screening of PFAS Enabled Through SPME-DART-MS

Screening of PFAS Enabled Through SPME-DART-MS

<p><strong>There is increased concern regarding the authenticity of basmati rice throughout the world. For years, traders have been passing off a lesser quality rice as the world&#39;s finest long-grained, aromatic rice, basmati, in key markets like the US, Canada and the EU.</strong></p>
<p>In this on-demand webinar, we describe a proof of principle method to assess the authenticity of basmati rice using the latest advancements in high resolution GC-MS and informatics technologies. Volatile compounds of interest were extracted from heated dry rice via SPME and headspace. Following a generic GC separation, detection was performed using a SYNAPT G2-Si MS run in HDMSE mode. Collection of a HDMSE dataset offers a high level of specificity owing to the orthogonal nature of the ion mobility separation to the GC separation.</p>
<p>Progenesis QI, the latest OMICS informatics package from Waters, is designed to utilize the 4-dimensional data produced during a SYNAPT G2-Si HDMSE acquisition. Initially, alignment of all injections was performed followed by the unique peak co-detection process resulting in the same number of analyte measurements in every sample and no missing values. Data from all isotopes and adducts of a parent compound were then deconvoluted giving a single robust and accurate quantitative measurement for that parent compound. The peak picking and deconvolution algorithms ensure a high quality compound table where adducts and isotopes are grouped with the parent m/z. Compounds of interest from the rice samples were highlighted using various multivariate statistical techniques such as PCA and identified using elucidation tools and relevant database searches within the software platform.</p>
<p>This workflow has general applicability to many areas of discovery OMICS and food research where biomarkers differentiating between two or multiple groups are required.</p>
<h3><strong>What will I learn?</strong></h3>
<ul>
<li>An experimental workflow to evaluate the authenticity of foodstuffs</li>
<li>A basic workflow for the discovery of volatile biomarkers between multiple groups of samples</li>
<li>The basics of HDMSE data independent acquisition</li>
<li>How Progenesis QI is used to analyze metabolomics data</li>
</ul>
<h3><strong>Who should attend?</strong></h3>
<ul>
<li>Food research scientists</li>
<li>Metabolomics research scientists</li>
<li>Biomarker research scientists</li>
</ul>
<blockquote>
<p><strong>Presenter: Robert Tonge, Ph.D. (Senior Product Manager, OMICS Informatics, Waters Corporation)</strong></p>
</blockquote>
<blockquote>
<p>Dr Robert Tonge is Senior Product Manager for OMICS Informatics at Waters Corporation, Manchester UK. Robert has been at Waters for 4 years in both Product Development and Field Marketing and has approaching 20 years experience in OMICS science. He trained initially in Biochemistry and Toxicology before moving to &#39;Big Pharma&#39; where he worked in Discovery and Translational Research across a wide variety of disease areas from cancer, cardiovascular disease and infection research.</p>
</blockquote>
<blockquote>
<p><strong>Presenter: Gareth Cleland, Ph.D. (Principal Scientist, Food &amp; Environmental Business, Waters Corporation)</strong></p>
</blockquote>
<blockquote>
<p>Dr Gareth Cleland is a Principal Scientist within the Food and Environment Business Operations at Waters Headquarters, USA. Following his Chemistry studies, he started his professional career working as a Development Chemist for a small coatings company in Oxfordshire, UK. He joined Waters Corporation in 2002 and has held various roles within the organization, both UK and US based, over the last 12 years.</p>
</blockquote>


Pixabay/Trung Hieu Dang: Discovery OMICS and Progenesis QI for Food Authenticity Testing

Discovery OMICS and Progenesis QI for Food Authenticity Testing

<p><strong>Food samples that are fatty/oily, dried or highly complex matrices often pose challenges in the analytical process. Therefore, an efficient sample preparation providing a reliable removal or suppression of matrix components is the basis for accurate and reproducible results. In addition, the maintenance demand of the chromatographic systems should be reduced to a minimum.</strong></p>
<p>In this presentation, sample preparation tools based on zirconia-silica adsorbents for the QuEChERS methodology as well as in form of solid phase extraction (SPE) cartridges will be introduced. Their applicability and improved fat and pigment removal will be demonstrated for pesticide analysis in samples like avocado and spices, as well as for polycyclic aromatic hydrocarbons (PAHs) in edible oils. A special QuEChERS mix for green samples (e.g. for spinach) containing zirconia-coated material in combination with a specialized carbon adsorbent ensures sufficient chlorophyll removal while maintaining recovery for planar pesticides.</p>
<p>Furthermore, solid phase microextration (SPME), an easy-to-automate sample preparation technique, using overcoated (OC) adsorbent fibers will be discussed with application examples. These allow efficient adsorptive extraction of semi-volatile compounds from complex matrices like food samples by direct immersion.</p>
<h3><strong>Attend this presentation to learn about:</strong></h3>
<ul>
<li>the use and mechanisms behind zirconia-coated silica adsorbents</li>
<li>choosing a suitable material/tool for sample cleanup</li>
<li>how direct immersion SPME can be used for adsorptive extraction of less volatile compounds from complex food samples, expanding the applicability of SPME</li>
</ul>
<blockquote>
<p><strong>Presenter: Klaus Buckendahl (Analytical Sciences Liaison, Advanced Analytical Europe, Merck KGaA, Darmstadt, Germany)</strong></p>
</blockquote>
<blockquote>
<p>Klaus Buckendahl received a degree in engineering from the FH Münster University of Applied Science in Germany, majoring in instrumental analysis. He started his career in the technical service at Sigma-Aldrich providing support for the Supelco® line of analytical products. Over the last 20+ years, he held various positions within the company including Product Specialist and Technical Marketing Manager for Sample Preparation in Europe, among others. Currently he works as an Analytical Science Liaison at Merck in the analytical chemistry business unit.</p>
</blockquote>


Pixabay/Jill Wellington:  Sample Preparation for Fatty and Complex Food Matrices

LCMS webinars focusing on SPME | LabRulez LCMS