🎤 Presenter: Christopher Freye (Los Alamos National Laboratory)💾 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_1_Freye_10783a9cf3.pdf">PDF presentation</a><h3>Abstract</h3>Two-dimensional gas chromatography (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2">GC×GC</a>) when coupled with mass spectrometry (MS) especially high-resolution mass spectrometry (HRMS) provides the ideal technique to discover minute chemical changes. However, GC×GC analyses result in extremely large datasets (GBs of information) wherein the statistically significant chemical changes are buried within the background chemical matrix. To combat these issues, many chemometric techniques have been developed or applied. Recently we introduced a new chemometric technique for GC-MS termed alteration analysis (ALA) and two-dimensional correlation (2DCOR) which can be used to discover statistically significant chemical changes across a series of chromatograms and understand the relationship between the statistically relevant changes. ALA generates three sets of information, the basic alteration map (BAM) which is the magnitude of the change, the synchronous alteration map (SAM) which describes the linear change, and the asynchronous alteration map (AAM) which describes the non-linear change. 2DCOR can then be used to understand the relationship between the chemical changes but 2DCOR can also resolve the sequence of the changes. A workflow for GC×GC-MS will be demonstrated. Special attention will be given to what differentiates the GC×GC work flow from GC for both the ALA and 2DCOR.<h3>Video Transcription</h3>The presentation focuses on how advanced mathematical and chemometric methods can be used to extract meaningful information from highly complex chromatographic data, especially in multidimensional chromatography coupled with mass spectrometry (GC×GC-MS, LC-MS).<h4>Why traditional data analysis falls short</h4>Modern multidimensional chromatography generates extremely large datasets, often containing billions of data points. Visual inspection, peak tables, or classical identification-based workflows are impractical—especially when:<ul><li>Samples are highly complex (e.g. petroleum, metabolomics, high explosives)</li><li>Most compounds are unknown unknowns</li><li>The key question is not what the compounds are, but whether samples differ and how</li></ul>Program managers and decision-makers are primarily interested in detecting statistically significant changes, not exhaustive compound identification.<h4>Introduction of Alteration Analysis (ALA)</h4>To address subtle, trend-based changes across series of chromatograms, the speaker introduces Alteration Analysis (ALA), a chemometric approach adapted from spectroscopy and applied to chromatography.ALA quantitatively evaluates how individual data points change across multiple samples, allowing detection of:<ul><li>Extremely subtle trends</li><li>Overlapping peaks</li><li>Changes hidden in noise or baseline interference</li></ul>Key ALA outputs include:<ul><li>BAM (Basic Alteration Map): magnitude of change</li><li>SAM (Systematic Alteration Map): linear changes</li><li>AM (Alteration Map): nonlinear changes</li></ul>Even changes as small as 1% per sample can be detected reliably, including peaks that are heavily overlapped.<h4>Beyond detection: understanding relationships with 2D Correlation</h4>Once statistically significant changes are identified, two-dimensional correlation analysis (2D-COR) is used to understand relationships between changing compounds, including:<ul><li>Whether compounds are correlated or anti-correlated</li><li>The sequence of changes over time (which changes happen first)</li></ul>This is especially critical for degradation and aging studies, where intermediate species may appear and disappear before the final state—information that traditional methods like Fisher ratio or PCA often miss.<h4>Solving GC×GC challenges with tiling</h4>GC×GC data introduces additional challenges due to:<ul><li>Peak misalignment</li><li>Exponential data growth during correlation calculations</li></ul>The presenter explains how tile-based approaches reduce data dimensionality, overcome alignment issues, and make ALA and 2D correlation computationally feasible—even for massive GC×GC-MS datasets.<h4>Real-world application: explosive aging studies</h4>The methodology was applied to aging and decomposition of high explosives, where:<ul><li>Over 250 chemical changes were identified</li><li>Many intermediate species would have been missed using traditional comparisons</li><li>ALA combined with 2D correlation enabled reconstruction of degradation pathways</li><li>The most significant change was not necessarily the first change, a critical insight for risk assessment and stability studies</li></ul><h4>Key takeaway</h4>By combining Alteration Analysis and 2D correlation, the approach:<ul><li>Detects statistically guaranteed chemical changes</li><li>Handles subtle, overlapped, and noisy signals</li><li>Determines magnitude, type, interrelationships, and order of changes</li><li>Shifts chromatographic data analysis from identification-driven to decision-driven</li></ul>This math-driven workflow enables faster, more reliable interpretation of complex chromatographic datasets and provides actionable insights for applications such as explosive aging, pharmaceutical degradation, and complex mixture analysis.<blockquote>This text has been automatically transcribed from a video presentation using AI technology. It may contain inaccuracies and is not guaranteed to be 100% correct.</blockquote>

Discovery analysis for GCxGC trends using alteration and 2D correlation (Chris Freye, MDCW 2026)

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 9th February 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you technical note by Agilent Technologies, presentation by MDCW / University of Copenhagen and application notes by Shimadzu and Thermo Fisher Scientific!<h3>1. Agilent Technologies: What Causes Spots on <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=19&amp;manufacturerItems=1&amp;search=PLOT">PLOT Columns</a>? Will It Affect the Performance of the Column?</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/te_what_causes_spots_plot_columns_affecting_performance_5994_8775en_agilent_3b7180512a.pdf">Full PDF for download</a></li></ul>Spots on porous layer open tubular (PLOT) columns are caused by small voids in the stationary phase coating inside the tube. These spots are areas where there is an uneven coating or lack of phase. It is normal to find some voids in the phase coating of PLOT columns. The stationary phase in PLOT columns is an opaque, solid, and porous material. In many Agilent PLOT columns such as the GS-Alumina phases, molecular sieves, porous polymers (Q and U), and the GS-OxyPLOT, the stationary phase is visible as a white powder. For many PLOT columns, the stationary phase fill solution is a viscous suspension of particles that are less than 10 microns in diameter. The phase is coated using a dynamic process in which a plug of fill solution is pushed through the tubing, and the plug’s speed and viscosity determines the thickness of the stationary phase layer. Once the PLOT’s stationary phase is deposited, it is held in place by electrostatic charge, chemical interactions between particles, and/or binding agents. In wall‑coated open tubular (WCOT) columns, stationary phases such as polysiloxanes or polyethylene glycols are immobilized by chemical bonding to the glass surface and cross-linking between polymer strands. Because this type of bonding and cross‑linking is not possible with PLOT phases, the result is a stationary phase layer that is both fundamentally different and inherently less stable in PLOT columns than in WCOT&nbsp;columns.<h3>2. MDCW / University of Copenhagen: One-shot tensor decomposition of full-scale GC×GC-VUV datasets for resolving petrochemical groups</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_17_Schneide_67c8ff7866.pdf">Full PDF for download</a></li></ul>The presentation introduces a novel all-samples-at-once, shift-invariant tri-linear tensor decomposition approach for the analysis of full-scale <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=GC%C3%97GC-VUV">GC×GC-VUV</a> datasets, aimed at resolving and quantifying petrochemical groups. Traditional template-based or pixel-based methods struggle with retention-time shifts and co-eluting compounds, often requiring manual intervention and prior chemical knowledge. The proposed approach leverages the intrinsic low-rank structure of GC×GC-VUV data to enable robust, automated group-level analysis across multiple samples simultaneously.At the core of the method is a shift-invariant tri-linear model, conceptually related to PARAFAC and multivariate curve resolution, but extended using frequency-domain (FFT-based) modeling to explicitly account for chromatographic peak shifts. By decomposing the entire dataset in one step, the model provides accurate estimates of peak landscapes, VUV spectra, and relative peak areas, while remaining agnostic to retention-time variability. Importantly, the approach requires only a small number of tunable parameters, making it practical for routine use.The method was demonstrated on a case study involving 14 petrochemical gas-oil samples, including straight-run, hydrotreated, hydroconverted, coker, and light cycle oils. Extracted VUV spectra showed excellent agreement with reference spectra from a VUV spectral database, enabling confident assignment of components to chemical groups such as saturates, olefins, and mono- to poly-aromatics. Quantitative results exhibited high repeatability (RSD typically 3–9%) and strong correlation with established template-based reference methods.Overall, the work demonstrates that one-shot, shift-invariant tensor decomposition provides a powerful and scalable alternative to conventional GC×GC data-analysis strategies. By combining chemical interpretability, robustness to chromatographic shifts, and strong quantitative performance, the approach opens new opportunities for automated, high-confidence group-level analysis of complex petrochemical samples and beyond.<h3>3. Shimadzu: Py-Screener Ver. 3: Simultaneously Test for Substances Regulated Under RoHS, TSCA, and POPs</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00949_en_4754e50164.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>In just one analysis, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Py-Screener">Py-Screener</a> Ver. 3 can determine levels of phthalate esters, brominated flame retardants (PBBs, PBDEs), PIP (3:1), UV-328, dechlorane plus (DP), short-chain chlorinated paraffins (SCCPs), and medium-chain chlorinated paraffins (MCCPs).&nbsp;</li><li>It can also test for SCCPs and MCCPs by electron ionization (EI) instead of negative chemical ionization (NCI).&nbsp;</li><li>PIP (3:1), UV-328, DP, and SCCPs and MCCPs can be screened without the need for corresponding reference materials.</li></ul>Countries and regulatory bodies worldwide are introducing increasingly stringent regulations on the chemical substances used in electronic devices and industrial products. The RoHS Directive and REACH regulations in the EU, the Toxic Substances Control Act (TSCA) in the USA, and the Stockholm Convention on Persistent Organic Pollutants (POPs) are also targeting an increasingly broad range of substances. Therefore, manufacturers are required to accurately identify regulated substances in their products and comply with each regulation. While Py-Screener Ver. 2 can screen for seven phthalate esters and brominated flame retardants, including substances regulated under the RoHS Directive, version 3 can also screen for PIP (3:1), which is regulated under the TSCA, as well as UV328, DP, and SCCPs and MCCPs , which are regulated under the Stockholm Convention on POPs. A list of supported substances isshown in Table 1. This article introduces the simultaneous analysis of multiple regulated substances and a case study of testing specific regulated substances in samples, using Py-Screener Ver. 3.<h4>Analysis Process</h4>Py-Screener Ver. 3 can determine levels of phthalate esters and brominated flame retardants contained in products in accordance with the international analytical standards IEC62321-8 and IEC62321-3-3. It can also test for specific regulated substances (Table 1) under the same conditions and in the same analysis. In this test, background intensity and instrument sensitivity (S/N) were verified before analyzing samples. These parameters are prescribed by IEC62321-8 to ensure the accuracy of the methods used. Background intensity and instrument sensitivity were determined using a reference material (PN: 225-31003- 91) *1 that consisted of a plastic sheet that was spiked with seven phthalate esters. The results met the criteria for both parameters.The testing workflow is shown in Fig. 1. Before testing samples, calibration curves were prepared by analyzing the 1000 mg/kg phthalate ester reference material and polypropylene spiked with brominated flame retardants (ERM-EC591). A hole puncher was used to punch out two discs at a time of the phthalate ester reference material, and a cutter was used to obtain pieces of the other materials. Each material was weighed in a sample cup for analysis. During the analysis of samples, phthalate esters and some of the regulated brominated flame retardants were quantitated using a one-point calibration curve. The remaining brominated flame retardants and specific regulated substances were quantitated using the correction factor database*2 that is included with Py-Screener Ver. 3.<h4>Conclusion</h4>Py-Screener Ver. 3 successfully determined in samples the concentrations of the regulated substances PIP (3:1), UV-328, DP, and SCCPs and MCCPs. Normally, SCCP and MCCP levels are tested using NCI, but Py-Screener Ver. 3 uses EI. This enables it to test for not only SCCPs and MCCPs but also phthalate esters, brominated flame retardants, and other regulated substances in just one analysis. In addition, by using the relative correction factors linked to DEHP in the phthalate ester reference material, the levels of these regulated substances were determined without the need for the corresponding reference materials. Py-Screener Ver. 3 can also create a screening program that addresses substance restrictions under the RoHS Directive, the US TSCA, and the POPs Convention.<h3>4. Thermo Fisher Scientific: Improving low carbon steel production in specialty steel processes</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/prima_pro_process_mass_spectrometer_an1626_7fc840235f.pdf">Full PDF for download</a></li></ul>World crude steel production reached 1,691 million tonnes in 2017, up by 5.3% compared to 2016.1 While much of this capacity is still produced in primary steel processes such as basic oxygen furnaces and electric arc furnaces, the need for refined steel with greater durability and resistance to heat and corrosion has led to the increased use of vacuum degassing processes, such as VOD and RH, in secondary steel production. These processes are able to achieve ultra-low levels of residual carbon, while at the same time retaining desired levels of other alloy materials. If these processes are to achieve the required level of steel product quality, they need fast, continuous gas analysis of the furnace exhaust gas. Without accurate information on the composition of the gas leaving the furnace, any variations in the decarburization process are only detected after the event, resulting in the production of out-of-specification steel.<h4>Advantages of mass spectrometry&nbsp;</h4>Traditional Non-Dispersive Infra-Red (NDIR) analyzers are used in many conventional steelmaking processes to measure CO and CO2 , but they can only sample at atmospheric pressure. In vacuum steelmaking the process pressure changes dramatically, typically from atmospheric pressure down to less than 1 mbar, over the 20-30 minutes of the melt. So NDIR analyzers have to sample some distance downstream from the process. Analytical data is updated several minutes after the gas leaves the melt and the control system is forced to operate on historic rather than real-time data.&nbsp;Paramagnetic analyzers can be used to measure O2 , while thermal conductivity analyzers can be used to measure H2 . These analyzers also suffer from slow response, while the need to operate three different types of analyzers adds to the plant maintenance burden. Moreover, the three analyzers cannot analyze inert gases, so N2 is calculated by difference, a result that suffers from the sum of the errors of the three analytical techniques.&nbsp;Mass spectrometry operates at high vacuum so it is ideal for monitoring vacuum processes. It is also able to monitor all seven components in Table 1 in seconds rather than minutes, ensuring the plant control model is frequently updated with accurate compositional data.<h4>Precision of analysis&nbsp;</h4>At the heart of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Prima+PRO+Mass+Spectrometer">Thermo Scientific™ Prima PRO Mass Spectrometer</a> (MS) is a magnetic sector analyzer which offers unrivalled precision and accuracy compared with other mass spectrometers. Thermo Fisher Scientific manufactures both quadrupole and magnetic sector mass spectrometers; over thirty years of industrial experience have shown the magnetic sector based analyzer offers the best performance for industrial on-line gas analysis.&nbsp;Key advantages of magnetic sector analyzers include improved precision, accuracy, long intervals between calibrations, and resistance to contamination. Typically, analytical precision is between 2 and 10 times better than a quadrupole analyzer, depending on the gases analyzed and complexity of the mixture.&nbsp;A unique feature of the Prima PRO magnet is that it is laminated. Its analysis times are similar to a quadrupole analyzer, offering the unique combination of rapid analysis and high stability. This allows the rapid and extremely stable analysis of an unlimited number of user-defined gases. The scanning magnetic sector is controlled with 24-bit precision using a magnetic flux measuring device for extremely stable mass alignment.&nbsp;The ion source is an enclosed type for high sensitivity, minimum background interference, and maximum contamination resistance. This is a high-energy (1000 eV) analyzer that offers extremely rugged performance in the presence of gases and vapors that have the potential for contaminating the analyzer. Typical performance specifications for the Prima PRO MS are shown in Table 1. Analytical performance is demonstrated by analyzing the calibration bottle over 1 hour following calibration, with an analysis time of just 6 seconds. Standard deviations measured on the calibration cylinder will be equal to or better than the stated values.

News from LabRulezGCMS Library - Week 07, 2026

Although modern agriculture needs to be based on accurate real-time data on soil, plant, and environmental conditions, affordable, sufficiently sensitive, and robust monitoring devices for this purpose are currently missing. According to scientists, low-cost sensors based on new smart materials and printing technologies offer a suitable solution. The results of multidisciplinary research thus far and proposals for the development of these devices have been presented by researchers from Czechia, Great Britain, Spain, and the USA in a review article in the prestigious journal <a target="_blank" rel="noopener noreferrer" href="https://www.nature.com/articles/s41467-026-68778-6#Abs1">Nature Communications</a>.“Sensor technologies for monitoring plant health are still in their infancy. Only simple sensors capable of monitoring basic parameters such as pH, soil moisture, or temperature are commonly available on the market. However, if farmers are to face current challenges, including climate change, and ensure sufficient food for humanity, they need much more effective tools that will enable them to monitor, for example, various pathogens, including bacteria and fungi. In our opinion, a suitable solution is a combination of new smart materials and printing for the production of inexpensive, durable, and scalable materials,” said the article’s first author, David Panáček from CATRIN, who worked on the study during his internship at Imperial College London.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/CATRIN_Soucasne_senzory_nestaci_Vedci_navrhuji_novou_cestu_ke_sledovani_zdravi_rostlin_b4014952a3.jpg" alt="CATRIN: David Panáček" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_CATRIN_Soucasne_senzory_nestaci_Vedci_navrhuji_novou_cestu_ke_sledovani_zdravi_rostlin_b4014952a3.jpg 208w," sizes="100vw" width="1536" height="1152">Sensors for monitoring plant health, for example, lag behind similar devices used in human medicine. According to the authors, advances in materials science, which will enable the development of scalable sensor technologies, play a key role in this potential shift. “Printing techniques, including inkjet printing, screen printing, aerosol printing, 3D printing, and direct laser writing, offer flexible ways to produce flexible sensors, large-area sensors, and sensors integrated directly into plants. The review article summarizes recent advances in printable low-dimensional materials for agricultural sensors, analyzes their physico-chemical properties in relation to sensor performance, and discusses key challenges and future opportunities requiring interdisciplinary integration,” said one of the corresponding authors, Michal Otyepka.The research brought together materials scientists, chemists, biologists, sensing experts, and printing technology specialists. Materials research and the use of graphene-based smart materials were led by scientists from CATRIN at Palacký University and VŠB-Technical University of Ostrava. Plant biologists from CATRIN contributed their knowledge of plant development, their responses to stress conditions, and the monitoring of their properties. Researchers from Imperial College London took care of the electronics, while representatives from<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/36"> CEITEC – VUT</a> focused on printing technologies. The team also included leading experts in sensing from the Catalan Institute of Nanoscience and Nanotechnology in Barcelona, and Joseph Wang of the University of California San Diego, the “father of sensing and electrochemistry,” also contributed his extensive knowledge.“This is a groundbreaking study on this topic, which has managed to attract some truly big names in their respective fields. Last but not least, the study demonstrates that interdisciplinarity at CATRIN gives rise to completely new and promising research topics, such as plant sensing and its use for studying plant-environment interactions and smart agriculture,” added another corresponding author, Nuria De Diego.

Current sensors are not good enough. Scientists propose a new way to monitor plant health

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Application

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Presentation

Scientific article

Science and research

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

The Multidimensional Chromatography Workshop

The Czech Advanced Technology and Research Institute (CATRIN) at Palacký University is a cutting-edge scientific hub dedicated to advancing research in the fields of nanotechnology, biotechnology, and biomedicine. At its core, CATRIN boasts outstanding scientific teams, featuring international researchers. We emphasize interdisciplinarity, foster global collaborations, and work to translate our research findings into practical applications.

CATRIN

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Separation Science

Agilent Technologies

Thermo Fisher Scientific

C&EN

In this webinar, our GC&amp;GC-MS experts Daniela Cavagnino and Adam Ladak will answer your questions regarding the actual helium shortage many gas chromatography users are facing. This includes topics like how to save helium, but also the use of hydrogen instead of helium including data that validate the workflow for hydrogen usage.
Ideally, please send us your questions in advance. You can do that during registration or anytime via email to analyze.eu@thermofisher.com. That allows us to group incoming questions under certain aspects. 
Also during the live session, you can submit your questions with the Q&amp;A chat function. We will answer all questions. In case we are running out of time during the live webinar, we will reach out to you afterwards.
<blockquote>
Presenter: Daniela Cavagnino (Product Marketing Manager GC&amp;GC-MS, Thermo Fisher Scientific)
</blockquote>
<blockquote>
Presenter: Adam Ladak (Global Product Marketing Manager GC Quadrupole Mass Spectrometry, Thermo Fisher Scientific)
</blockquote>

Thermo Scientific: Ask-the-experts on effective GC solutions to deal with the helium shortage

Ask-the-experts on effective GC solutions to deal with the helium shortage

Our GC&GC-MS experts Daniela Cavagnino and Adam Ladak will answer your questions regarding the actual helium shortage many gas chromatography users are facing. 

Ask-the-experts on GC to deal with the helium shortage

Impurity analysis of different grades of hydrogen has become an urgent need for users. The impurities He, Ne, N2, Ar, and CH4 will dilute H2 concentration, and CO/CO2 will decrease the lifetime of the fuel cell. The presence of trace sulfides can lead to fuel cell catalysts poisoning.
In this webinar, the speakers will deliver the total solution for hydrogen impurities analysis including five different GC configurations:
<ul>
<li>GC-TCD/FID for ppm-level total hydrocarbon analysis</li>
<li>GC-PDHID for CO2, CO, CH4, Ar, and N2 analysis at ppb level</li>
<li>GC-SCD for sulfur compounds</li>
<li>GCMS for the detection of formaldehyde</li>
<li>Micro GC for fast analysis of permanent gas</li>
</ul>
The results obtained from the flexible and diverse GC configurations show excellent performance of Agilent GC products. The solution can meet different analysis requirements of users. Speakers will also highlight the advantages of different configurations and how customers can choose the right GC products according to their own needs.
By attending this presentation you will learn about:
<ul>
<li>Regulatory considerations for high-purity hydrogen impurities</li>
<li>Different GC platforms for hydrogen impurities analysis</li>
<li>Advantages of different GC configurations</li>
</ul>
<blockquote>
Presenter: Youjuan Zhang (Applications Chemist, Agilent Technologies, Gas Phase Separations Division)
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<blockquote>
Youjuan joined Agilent in 2013 as an education engineer and focused on providing superior service and training to customers. She joined the GPSD marketing group as an applications chemist in 2017 and her responsibility included supporting NPI and developing applications with Agilent GC/GCMS products.
</blockquote>
<blockquote>
Presenter: Scott Hoy (Applications Chemist, Agilent Technologies, Gas Phase Separations Division)
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<blockquote>
Scott joined Agilent Technologies in 2021 following eight years of gas chromatography experience in petrochemical QC and R&amp;D. As an applications chemist in GPSD, his focus is creating GC and GCxGC solutions to meet the evolving needs of customers and markets. Scott is an active member of ASTM D02.
</blockquote>

Pixabay/Erich Westendarp: GC Solutions for Hydrogen Impurities Analysis 

GC Solutions for Hydrogen Impurities Analysis

We will deliver the total solution for hydrogen impurities analysis including five different GC configurations: GC-TCD/FID, GC-PDHID, GC-SCD, GCMS, Micro GC.

The analysis of microplastics (MP) becomes more difficult for smaller sizes, especially in complex matrices such as sediment of natural waters. In this work, we analyzed MPs in sediment using laser direct infrared (LDIR) imaging, a relatively new technique in environmental MP studies.
Sediment samples were spiked with analytical surrogates (polyethylene spheres), and subjected to density separation, wet peroxide oxidation, calcite removal, and filtration. The extracted particles were coated on to a low-emissivity glass slide which was first examined on a stereomicroscope. Six slides (two sediment samples and four different blanks) were further analyzed using an Agilent LDIR system. Approximately 520 and 430 MP/g were found in the two samples, with diameter ranging 20-3,384 um and 84% being smaller than 100 um. The increase in particle count with decreasing particle sizes followed a power law curve, suggesting that a large portion of the smaller MPs was generated by the breakdown of larger plastic pieces.
Major polymers found in this work included polyamide, polyester, polytetrafluoroethylene, and polyacetal. Most MPs were fragments, while beads and fiber were also found. In the two sediment samples, 14% and 46% of the total particles, respectively, were composed of non-plastic micro-sized particles, including natural polyamide, cellulose, chitin, rubber, and &quot;unknown&quot;. Challenges, potential biases, and uncertainties are discussed.
This work is the first application of LDIR imaging on MPs in natural sediment.
<blockquote>
Presenter: An Li (Professor Emerita, Environmental and Occupational Health Sciences)
</blockquote>
<blockquote>
Dr. An Li is a Professor Emeritus in School of Public Health, University of Illinois Chicago. She is an environmental chemist, with her research focus on how human activities influence the natural environment and how the changes in turn affect human health. Her research particularly focuses on persistent and bioaccumulative organic chemicals which are potentially toxic. She has led a number of federally funded projects and programs, including the Great Lakes Sediment Surveillance Program (GLSSP) funded by the US EPA. Dr. Li has published two books Physical and Chemical Processes in the Aquatic Environment (2014) and Persistent Organic Pollutants in Asia (2007), &gt;100 journal articles, as well as numerous other publications.
</blockquote>

Agilent Technologies: Characterization of microplastics in sediment using stereomicroscopy and laser direct infrared (LDIR) spectroscopy

Characterization of microplastics in sediment using stereomicroscopy and laser direct infrared (LDIR) spectroscopy

In this work, we analyzed MPs in sediment using laser direct infrared (LDIR) imaging, a relatively new technique in environmental MP studies.

Characterization of microplastics in sediment using LDIR

Optimizing olefin isomerization typically involves time-consuming testing of both intermediate and final product. The unavoidable delay between sampling and process changes using traditional chromatographic methods fails to eliminate the need for post-production adjustments and can even result in batch loss.
In this webinar, Tiffany Adkins, Quality Manager at Aurorium, will explain how fast, specific Raman spectroscopy improved her manufacturing quality and reduced product loss. She will discuss her phased implementation approach to Raman and lessons learned, the simplicity of quantitative method development and future use cases for the technique. 
Elena Hagemann, Metrohm USA Spectroscopy Product Specialist, will give an overview of Raman spectroscopy and explain how the fundamentals of this technique make it well-suited for specialty chemicals and formulated products. 
Key Learning Objectives:
<ul>
<li>Discover how Raman spectroscopy gives quicker results than most other analytical technologies, leading to better response time to process variations</li>
<li>Gain understanding on how Raman spectroscopy can be utilized to quantify the isomerization content in olefins via the variation in present double bonds</li>
<li>Learn about overcoming implementation challenges in Raman Spectroscopy by showcasing different challenges, the approach to find solutions and the key learnings that will ease the implementation of Raman spectroscopy</li>
</ul>
Who Should Attend:
<ul>
<li>Those in the chemical industry, both specialty chemical and final product manufacturers looking to increase production quality and efficiency</li>
<li>Production and QA managers of all industries seeking solutions to get actionable data faster</li>
<li>Product development chemists seeking to design products for quality and manufacturability</li>
<li>Researchers looking for Raman measurement solutions for a variety of materials</li>
<li>Process development engineers and scientists looking for upstream/development solutions that can scale with production</li>
</ul>
<blockquote>
Presenter: Tiffany Adkins (Quality Manager, Aurorium)
</blockquote>
<blockquote>
Presenter: Elena Hagemann (Spectroscopy Product Specialist, Metrohm USA)
</blockquote>
<blockquote>
Presenter: Kelly McSweeney (Contributing Editor, C&amp;EN Media Group)
</blockquote>

C&EN: Optimize Your Process Control of Olefin Isomerization

Optimize Your Process Control of Olefin Isomerization

We will explain how fast, specific Raman spectroscopy improved manufacturing quality and reduced product loss and will give an overview of Raman spectroscopy.

Join Agilent and GERSTEL for our annual virtual seminar discussing how you can assure safety, authenticity, and quality of alcoholic beverages. Sharing the latest in technology developments and capabilities, new applications, and customer stories. Topics include distilled beverages, wine and beer. There is something for everyone in this seminar series and we hope to see you there.
Attend live and receive an Agilent GC wine glass!
<h3>Presentation 1: Non-targeted and Targeted Analysis of Spirits Aroma/Flavor Compounds using DHS-GC(-GC)-MS</h3>
Chromatographic analysis of distilled spirits has witnessed a sea change over a recent short period of years. Previous approaches which relied on solvent extraction procedures to enrich the secondary aroma/flavor compounds from the dominant ethanol-water base, can now be replaced by solventless, automated instrumental methods. Such solventless approaches comprise Stir Bar Sorptive Extraction, Static and Dynamic Headspace and Large Volume Injection. These methods rely on the ability of a PTV (Programmable Temperature Vaporization) injector to enrich analytes of interest before transfer to the GC column, while venting unwanted matrix.
Complex GC-MS data files obtained in this way, can also be further processed by powerful filters such as Spectral Deconvolution followed by RI based isolation and verification of identities of aroma/flavor compounds. The sequential progress of the GC-MS data file through these various filters and finally into a chemometric software for investigative discrimination of samples is achieved by simple mouse clicks. This is a very attractive outcome for practicing flavor Chemists and could be regarded as the final fulfillment of what previously could only be an outcome to aspire to.
These solventless techniques can be so efficient, and sometimes give such complex GC-MS data files, that often an additional chromatographic dimension may be required, especially for detection of ultra-trace compounds. This is supplied by chromatographic heart cutting where elution segments from one column are transferred to a second column of different polarity for increased resolution. The necessary instrumental configurations required for this purpose are also available in fully automated format.
Key Learning Objectives/What attendees will learn:
<ul>
<li>Appreciation of how analysis of distilled spirits has moved into a more modern approach using solventless extraction techniques featuring full automation from sample treatment to GC injection.</li>
<li>Aroma Office in conjunction with MS Spectral Deconvolution will be introduced as a powerful combination for filtering and listing of aroma compounds from complex GC-MS data files.</li>
<li>Two-dimensional Gas Chromatography (2D-GC-GC) will also feature as a valuable tool for isolation of key compounds from interfering matrix in extremely complex data files.</li>
</ul>
Who Should Attend: Chemists and Technicians involved in aroma research and analysis
<blockquote>
Presenter: Dr. Kevin Mac Namara (Consultant)
</blockquote>
<blockquote>
Dr Kevin Mac Namara graduated from the National University of Ireland with a speciality in synthetic organic chemistry. He later joined the Irish Government Alcohol Monopoly and subsequently moved to Irish Distillers Group in 1981 as Head of Technical Development where he established a high profile centre for distilled spirits research. When Irish Distillers merged into the global Pernod Ricard Group in 1990 he assumed a much enlarged role and represented Ireland in EU alcohol affairs for many years before retiring in 2012.
</blockquote>
<h3>Presentation 2: A Variety of Extraction Techniques Used to Determine Analytes of Interest in Distilled Spirits</h3>
Analysis of distilled spirits using GC-MS can be challenging due to the multitude of flavor and aroma compounds that exist in the predominantly ethanol-water mixture. The optimal extraction technique or techniques must be able to isolate and pre-concentrate the analytes before introduction into the GC-MS to produce meaningful data. GERSTEL offers numerous automated sample introduction and extraction techniques including Static Headspace (SHS), Solid Phase Microextraction (SPME), Thermal Desorption (TD), Dynamic Headspace (DHS), and Thin Film Solid-Phase Microextraction (TF-SPME) and Pyrolysis. GERSTEL offers additional features to each extraction technique including Multiple Headspace Sample Enrichment (MHSE) and TDx Multidesorption that can provide significantly more mass on column and lower detection limits. GERSTEL also offers unique detection capabilities with the olfactory detection port (ODP) allowing the analyst to smell compounds as they elute from the GC column. With simultaneous mass spectral detection, key odor-active compounds can be identified in complex products.
Common challenges encountered when analyzing distilled spirits include reproducibility of batches, identifying and quantifying off-odors produced during the fermentation process, and consumer satisfaction, especially in the context of competitors, to name a few. This presentation will show how GERSTEL addresses these complex challenges by having a complete “toolbox” of extraction, introduction and detection options that can be combined and optimized as needed.
Key Learning Objectives/What attendees will learn:
<ul>
<li>Theory and applicability of SHS, SPME, SBSE, TF-SPME, DHS, and pyrolysis.</li>
<li>How to decide on the most optimal extraction technique based on research challenges.</li>
</ul>
Who Should Attend: Analytical chemists in the food, flavor, fragrance, and beverage industries
<blockquote>
Presenter: Megan Harper (Applications Scientist l, GERSTEL, Inc.)
</blockquote>
<blockquote>
Megan Harper graduated from the University of Maryland Baltimore County in 2020 with a Bachelor of Science Degree in chemistry and received her Master of Science Degree in forensic science with an analytical chemistry track from Towson University in 2022. At GERSTEL, Inc., Harper applies her knowledge on sample extraction and introduction techniques to help solve complex problems for customers across the USA, including those involving distilled spirits.
</blockquote>

Pixabay/Bruno/Germany: 3rd Annual Alcoholic Beverages Virtual Symposium - Spirits

3rd Annual Alcoholic Beverages Virtual Symposium - Spirits

Non-targeted and Targeted Analysis of Spirits Aroma/Flavor Compounds using DHS-GC(-GC)-MS. Extraction Techniques Used to Determine Analytes of Interest

Now that you are using the OpenLab CDS system, why are you still using Excel?
Unlock the incredible calculation potential of your system. You have run a triplicate injection of standards and would like to determine the percent recovery of your samples against the average of those standards. This session will introduce you to the method of being able to do just that within OpenLab CDS WITHOUT the use of Excel.
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Presenter: Richard Mutkoski (Laboratory Informatics Application Engineer, Agilent Technologies, Inc.)
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<blockquote>
Richard Mutkoski has been a field representative for over 27 years for both hardware and software. In his current role as an Informatics Application Engineer, Rich presents technical solutions of the OpenLab suite of products to customers worldwide. Prior to his tenure at Agilent Rich spent 15 years in a variety of Pharma QA/QC and R&amp;D positions providing him a unique understanding of those workflows, bottlenecks and challenges.
</blockquote>

Agilent Technologies: Calculate Percent Recovery of Samples in OpenLab CDS

Calculate Percent Recovery of Samples in OpenLab CDS

The method of being able to do just that within OpenLab CDS WITHOUT the use of Excel.

This seminar introduces a powerful feature in OpenLab CDS: Custom Calculator.
OpenLab CDS users or chromatographers thinking of moving to OpenLab CDS from another data system can see how this unique feature allows the addition of user defined chromatography calculations directly into the OpenLab CDS data system.
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Presenter: Kathleen O&#39;Dea (Application Engineer, Agilent Technologies, Inc.)
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Kathleen O’Dea has a 20 year history with Agilent’s OpenLab products. As an Informatics Application Engineer, Kathleen has visited customers around the world in a wide variety of market areas, helping them to select and implement OpenLab software products.
</blockquote>

Agilent Technologies: Introducing the Custom Calculator in OpenLab CDS

Introducing the Custom Calculator in OpenLab CDS

Powerful feature in OpenLab CDS: Custom Calculator.

Are you an analyst, manager, or reviewer who needs to get work done but may not be in the lab?
Especially important today, remote access is a key feature that can increase productivity, reduce compliance costs and is a key part of a disaster recovery plan. This virtual seminar introduces options for thin client technology enabling all Masshunter, ChemStation or OpenLab CDS products to be accessed outside the lab, whether this is at from nearby desks, across sites, or from home.
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Presenter: Mike Ratto (Lab Informatics Applications Specialist, Agilent Technologies, Inc.)
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Mike Ratto has been with Agilent for 29 years as a field representative for both hardware and software products. In his current role as an Informatics Application Specialist, Mike presents technical solutions of OpenLab family of products to customers all over the world.
</blockquote>

Agilent Technologies: Agilent Software products and Architecture to enable work from home options

Agilent Software products and Architecture to enable work from home options

Options for thin client technology enabling all Masshunter, ChemStation or OpenLab CDS products to be accessed outside the lab.

Agilent Software products and Architecture to enable work

Are you an analyst, manager, or reviewer who follows the social distancing guidelines but need to get work done without full access to your lab?
Especially important today, Remote Access is a key feature that can increase productivity, reduce compliance costs and can be an integral part of a disaster recovery plan. This virtual seminar introduces options using “Thin Client technology which enables all Masshunter, ChemStation or OpenLab CDS products to be accessed outside the lab, whether this is at from nearby desks, across sites, or from home.
Our learning objectives during this 1 hour session are as follows:
<ul>
<li>An introduction to “Thin Client” technology
</li>
<li>Data and instrument access options from lab, office or home with OpenLab
</li>
<li>Learn technology options that support Social Distancing in the laboratory
</li>
</ul>
<blockquote>
Presenter: Mike Ratto (Lab Informatics Applications Specialist, Agilent Technologies, Inc.)
</blockquote>
<blockquote>
Mike Ratto has been with Agilent for 29 years as a field representative for both hardware and software products. In his current role as an Informatics Application Specialist, Mike presents technical solutions of OpenLab family of products to customers all over the world.
</blockquote>

Agilent Technologies: OpenLab CDS/ECM Remote Access Solutions to support Social Distancing in the Lab

OpenLab CDS/ECM Remote Access Solutions to support Social Distancing in the Lab

Options using “Thin Client technology which enables all Masshunter, ChemStation or OpenLab CDS products to be accessed outside the lab.

OpenLab CDS/ECM Remote Access Solutions

Agilent has a suite of products that help you advance your laboratory operations and meet new social distancing guidelines.
Crosslab Connect can utilize data collected in OpenLab ECM to capture lab-wide instrument utilization data and present them in dashboards helping you increase efficiency with data driven decisions concerning your instrument assets. iLab operations software is a web based lab and instrument management tool that can help you schedule and share instrument resources so only a planned amount of users can use the intended space or equipment.
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Presenter: Melissa Zeier (Applications Expert, Lab Productivity Solutions)
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Melissa has been in the drug development, testing, and laboratory services industries for approximately 15 years. She began her career in big pharma working in high throughput biomarker testing, then moved into the pre-clinical contract testing field specializing in chiral analyte method development for LC-MS/MS. Melissa transitioned to auditing GLP bioanalytical studies before exercising her expertise in the pharma and biopharma sectors as a business intelligence analyst, driving product and service development in the pre-clinical testing industry for a top 3 preclinical CRO prior to joining Agilent. Now, with Agilent, Melissa works in a presales capacity to assist with technical topics and conversations about laboratory productivity solutions. Melissa has a B.S. in Chemistry with minors in Cellular Biology and Mathematics, an M.S. in Analytical Chemistry, and an M.A. in Applied Economics.
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<blockquote>
Presenter: Rick Chrisos (Account Manager, Agilent Technologies, Inc.)
</blockquote>
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Rick primarily works with enterprise research administration and lab operations across the United States. Dual-wielding as a newly minted member of the Informatics Product Specialist and Team Lead for iLab Operations Software Americas, Rick is responsible for designing solutions to enable his clients to digitize their lab into a virtual landscape. Outside of his role with Agilent, Rick enjoys an active outdoor lifestyle as a “New Englander” and can often be seen accompanied by his dogs. Rick holds a B.S. in Business Administration &amp; Marketing from University of Massachusetts, Amherst.​
</blockquote>

Agilent Technologies: Advance Laboratory Operations by Measuring Instrument Utilization and Scheduling Assets to Meet Social Distancing

Advance Laboratory Operations by Measuring Instrument Utilization and Scheduling Assets to Meet Social Distancing

Suite of products that help you advance your laboratory operations and meet new social distancing guidelines.