In this technical tip from Phenomenex, the topic of gas chromatography (GC) column trimming is addressed from a troubleshooting perspective. The key question explored is whether trimming a GC column is necessary and how it impacts chromatographic performance.<h3>Why Trim a GC Column?</h3>Column trimming is primarily used to restore chromatographic performance by removing damaged or contaminated sections, typically located at the column inlet.<h5>1. Baseline Bleed, Noise, Ghost Peaks, Poor Peak Shape</h5><ul><li>Cause: Column contamination</li><li>Removing the contaminated stationary phase at the column entrance helps restore performance.</li></ul><h5>2. Elevated Baseline (Especially at High Temperature)</h5><ul><li>Cause: Column bleed</li><li>Degradation of the stationary phase due to oxygen exposure or thermal damage leads to increased baseline.</li></ul><h5>3. Ghost Peaks (Peaks Without Injection)</h5><ul><li>Cause: Residual sample or contamination</li><li>Compounds trapped at the beginning of the column can appear as peaks even when no sample is injected.</li></ul><h5>4. Peak Tailing (Asymmetrical Peaks)</h5><ul><li>Cause: Damaged or contaminated column sections</li><li>These issues result in adsorption effects or poor flow dynamics.</li></ul><h5>5. Retention Time Shifts</h5><ul><li>Cause: Contamination or damage near the inlet</li><li>Although trimming slightly changes retention time, it can correct shifts caused by inlet-side issues.</li></ul><h5>6. Baseline Noise and Spikes</h5><ul><li>Cause: Particulate matter or degraded stationary phase</li><li>These can lead to detector instability and random signal fluctuations.</li></ul><h5>7. Baseline Drift or Wander</h5><ul><li>Cause: Contamination or oxidized column sections</li><li>Removing these regions stabilizes the baseline.</li></ul><h5>8. Loss of Resolution or Sensitivity</h5><ul><li>Cause: General column degradation</li><li>Trimming removes the most exposed and damaged portions, effectively rejuvenating column performance.</li></ul><h3>How to Trim a GC Column</h3>A capillary GC column consists of:<ul><li>Polyimide outer coating (protective layer)</li><li>Fused silica tubing (fragile but flexible core)</li></ul><h3>Step-by-Step Procedure</h3><h5>1. Scoring the Column</h5><ul><li>Use a ceramic wafer</li><li>Hold it at an inclined angle</li><li>Score the polyimide coating perpendicular to the column</li></ul><h5>2. Breaking the Column</h5><ul><li>Perform a quick, decisive flick</li><li>This ensures a clean, square cut</li></ul><h5>3. Inspecting the Cut</h5>After trimming, visually inspect the column end.<h3>Examples of Column Cuts</h3><h4>Good Cut</h4><ul><li>Clean, square end</li><li>Ensures proper sealing and connection</li></ul><h5>Bad Cuts</h5><ul><li>Slight Irregularity<ul><li>Small imperfection at the edge</li><li>Can cause leaks and active sites</li></ul></li><li>Poor / Rough Cuts<ul><li>Uneven or jagged edges</li><li>Lead to:<ul><li>Poor connections</li><li>Active sites</li><li>Peak tailing</li></ul></li></ul></li></ul><h2>Conclusion</h2>Trimming a GC column is a simple yet effective troubleshooting step. By removing contaminated or damaged sections—especially near the inlet—it can resolve a wide range of chromatographic issues, including baseline instability, ghost peaks, and loss of performance.Proper cutting technique is essential to avoid introducing new problems such as leaks or active sites.

Trimming a GC Column: Purpose, Symptoms, and Proper Technique

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 30th March 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 application notes by Agilent Technologies, Thermo Fisher Scientific, brochure by Shimadzu and presentation by MDCW / LECO!<h3>1. Agilent Technologies: Extraction and Analysis of Pesticides from Water by Solid Phase Extraction and GC/MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_extraction_analysis_pesticides_water_gcms_5994_8996en_agilent_28fc35d0e7.pdf">Full PDF for download</a></li></ul>Drinking water is defined as water intended for human consumption obtained from different sources. Several guidelines/regulations exist for ensuring that undesirable substances such as pesticides are not present in excessive amounts that may be harmful to human health. These regulations ensure that water intended for human consumption can be consumed safely. In India, the Bureau of Indian Standards (BIS) has set regulatory limits for residual pesticides in drinking water (IS 10500)1 , packaged drinking water (IS 14543)2 , and natural mineral water (IS 13428).3 A total of 26 pesticides are regulated by BIS standards, of which four compounds (monocrotophos, phorate, 2,4-D, and isoproturon) are more suitable for analysis by liquid chromatography.&nbsp;EPA Method 525.2 is a general-purpose method for determination of organic compounds in finished drinking water or water from any source or treatment stage.4 This method is applicable to a range of organic compounds that are partitioned from the water sample onto a C18 organic phase packed in a disk or cartridge. The organic compounds are then eluted using a suitable eluent, concentrated, and analyzed by GC/MS.&nbsp;This application note describes the use of EPA Method 525.2 for extraction of pesticide residues at trace levels in water using solid-phase extraction (Agilent Bond Elut C18: Straight barrel cartridges, p/n 12102118) and analysis using Agilent 8890-5977 GC/MS.&nbsp;Excellent linearity with R2 &gt; 0.995 was obtained for all pesticides considered for the study. Recoveries were obtained in the range of 80–120% with associated RSDs &lt; 15% at 0.005–0.080 ng/mL level of fortification.<h4>Experimental</h4><h5>Instrument parameters</h5><ul><li>GC: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890">Agilent 8890</a></li><li>Column: Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+HP-5ms">J&amp;W HP-5ms</a> UI 30 m × 0.25 mm, 0.25 μm&nbsp;</li><li>Carrier Gas: Helium, constant flow, 1.2 mL/min&nbsp;</li><li>Inlet: Agilent Multimode Inlet (MMI)</li><li>MS: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977">5977 GC/MS</a></li></ul><h4>Conclusion&nbsp;</h4>A simple, easy, and efficient method based on EPA 525.2 was implemented for the determination of 22 pesticides in water. The method demonstrated good sensitivity, precision, and accuracy, and allows for rapid analysis. The results demonstrate that pesticide residues can be detected below the current maximum residue levels (MRL) required by the BIS specifications. Acceptable recoveries and precision were obtained at concentrations as low as 5 ng/L for all pesticides. The method is ideally suited for use in a regulatory laboratory for the determination of pesticides in surface, drinking, and packaged drinking water.<h3>2. MDCW / LECO: Exploring PFAS in Consumer Goods Using GCxGC and High-Resolution Mass Spectrometry</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_3_Alonso_6f61e3ea43.pdf">Full PDF for download</a></li></ul>Per- and polyfluoroalkyl substances (PFAS) are widely used in consumer and industrial products due to their unique physicochemical properties, but their persistence and potential health risks have made their detection increasingly important. This study focuses on developing an untargeted analytical approach for screening PFAS and related compounds in consumer goods using advanced chromatographic and mass spectrometric techniques.The analytical workflow combines gas chromatography with time-of-flight mass spectrometry (GC-TOFMS) and comprehensive two-dimensional gas chromatography coupled with high-resolution TOFMS (GC×GC-HRTOFMS), using systems such as the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1097">LECO Pegasus® BTX </a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/38">Pegasus® HRT+</a> platforms. Sample introduction is performed via thermal desorption or pyrolysis, enabling analysis of both volatile and complex matrices. High-resolution MS provides accurate mass measurements and elemental composition, which are essential for identifying unknown compounds and reducing matrix interferences.In the first case study, anti-fog solutions were analyzed and found to contain a wide range of compounds, including fluorotelomer alcohols and related PFAS species. While GC-TOFMS enabled initial screening, high-resolution TOFMS was necessary to characterize unknown compounds through accurate mass determination and complementary ionization techniques (EI and PCI). This approach allowed tentative structural assignment using external databases, demonstrating the importance of HRMS in identifying compounds not present in standard libraries.The second case study focused on chewing gum, a highly complex matrix with diverse chemical constituents and trace-level analytes. The use of GC×GC-HRTOFMS significantly improved chromatographic separation and spectral clarity, enabling detailed profiling of volatile and semi-volatile compounds. A dedicated PFAS screening workflow based on mass defect analysis and spectral filtering was applied, leveraging the characteristic CF₂ patterns of PFAS molecules to simplify data interpretation.Despite the complexity of the sample, no PFAS were detected in the chewing gum, its packaging, or the box. Overall, the study demonstrates that combining GC×GC separation, high-resolution mass spectrometry, and advanced data processing tools provides a powerful and reliable strategy for untargeted PFAS screening in complex consumer products, particularly when unknown or emerging contaminants are of concern.<h3>3. Shimadzu: Gas Chromatograph Nexis GC-2060</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c184_e056_06c3456516.pdf">Full PDF for download</a></li></ul>The Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2060">Nexis GC-2060</a> represents a new generation of gas chromatographs, built on over 70 years of GC development and designed to serve as a flexible and future-proof analytical platform. It integrates the concept of Analytical Intelligence, which enables automated system monitoring, troubleshooting, and optimization, helping both experienced and less experienced users achieve reliable and consistent results. The system is highly configurable, supporting up to two injectors, three injection units, and four detectors simultaneously, allowing a single instrument to cover multiple analytical applications.A key advantage of the Nexis GC-2060 is its versatility in sample introduction and detection. The Multi-Mode Injection Unit (MMI) supports a wide range of injection techniques, including split/splitless, PTV, direct injection, large-volume injection (LVI), and thermal desorption, significantly reducing the need for complex sample preparation. The system is also equipped with next-generation detectors such as FID and TCD, offering high sensitivity, stability, and linearity, with additional detector options (ECD, FPD, FTD, BID) enabling broad application coverage.The instrument is designed to maximize laboratory efficiency and minimize downtime. Features such as tool-free column installation (ClickTek), automated startup/shutdown, Easy sTop maintenance mode, and Clean Pilot for automated column conditioning simplify routine operation and reduce manual intervention. In addition, Eco Idling technology automatically optimizes gas and power consumption during standby, significantly lowering operational costs while maintaining readiness for analysis.From an analytical performance perspective, the Nexis GC-2060 delivers excellent reproducibility and sensitivity, supported by advanced autosamplers (e.g., AOC-30) and compatibility with third-party systems. The platform supports hydrogen carrier gas for faster analysis and includes smart gas management features such as automatic gas switching. Its modular design allows seamless integration with various sample preparation systems, autosamplers, and detectors, ensuring adaptability to evolving laboratory needs.Overall, the Nexis GC-2060 combines high performance, operational efficiency, and flexibility in a single platform, making it suitable for a wide range of applications, including pharmaceutical analysis, environmental testing, food analysis, and energy-related measurements. Its scalability and continuous software updates ensure long-term usability and alignment with future analytical requirements.<h3>4. Thermo Fisher Scientific: Accurate multi-component blast furnace gas analysis maximizes iron production and minimizes coke consumption</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/epm_AN_Iron_Production_Prima_PRO_bd5de98b44.pdf">Full PDF for download</a></li></ul>Over a billion tonnes of iron a year are produced in blast furnaces, representing around 94% of global iron production¹. The blast furnace consists of a large steel stack, lined with refractory brick. Iron ore, coke and limestone are dropped into the top of the furnace and preheated air blown into the bottom through nozzles called ‘Tuyeres’. Iron oxides are reduced in the melting zone, or ‘Bosh’, forming liquid iron (called ‘hot metal’) and liquid slag. These liquid products are drained from the furnace at regular intervals, and the blast furnace will run continuously for several years, until the refractory lining needs replacing.Analysis of carbon monoxide (CO) and carbon dioxide (CO₂) give vital information on the efficiency of the reduction processes. Historically, two non-dispersive infrared (NDIR) analyzers were used, one to measure CO, the other CO₂. Additional discrete analyzers were required to monitor oxygen and hydrogen – typically paramagnetic O₂ analyzers and thermal conductivity analyzers for H₂.&nbsp;Thermo Scientific™ process mass spectrometers have been widely used for many years for key gas analysis applications in iron and steel plants, including blast furnace, basic oxygen steelmaking, coke oven gas analysis, secondary steel process control, fuel gas analysis and direct reduction iron processes²<h4>Process control requirements&nbsp;</h4>The advantages of process MS over conventional analysis techniques have been proven over many years in the iron and steel industry. The ability to measure a wide range of components on a single analyzer, coupled with advanced calibration, data transmission, and self-diagnostic software, makes the modern mass spectrometer ideal for integration into the modern plant. On blast furnaces, superior gas analysis is being used to calculate gas efficiency, mass and heat balances, and heat profiles through probe analysis, as well as being an essential tool in the early detection of cooling water leaks and sample system failures.&nbsp;Figure 2 shows 64 hours of data from a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2305">Thermo Scientific™ Prima™ PRO Process MS</a> monitoring the six gases in a blast furnace top gas every 10 seconds. The pulse every 12 hours is generated by an automatic nitrogen blowback from the sample conditioning system, to keep the sample probe clear of particulates.<h4>Hydrogen analysis&nbsp;</h4>An increase in the hydrogen level in the furnace can indicate a leak from the furnace cooling system, as water dissociates into hydrogen and oxygen in the furnace. This has implications both for plant efficiency and plant safety. Water leaks will lower the furnace temperature, causing heat loss and a consequent increase in fuel consumption. In extreme cases, damage to plant and personnel can be caused by ignition of these hazardous mixtures of explosive gases.&nbsp;Figure 4 shows a plot of top gas hydrogen concentration measured by Thermo Scientific process MS over a 24-hour period, with the departure of the measured H2 value from that predicted by the mass balance model indicating a water leak. This leak was caused by the failure of a cooling member, and the furnace was taken off blast for repair. The mass spectrometer’s ability to provide fast, accurate hydrogen analysis removes the need for an additional discrete analyzer.&nbsp;Gas composition measurement is particularly important during the end-of-campaign blowdown that takes place prior to rebuilds and relines, because explosive gas mixtures can be generated.&nbsp;<h4>Probe analysis&nbsp;</h4>The fast analysis provided by MS offers another significant advantage over discrete analyzers—a number of process streams can be analyzed using a single instrument. This is achieved using a fully automated multi-inlet system, designed to switch between sample streams at high speeds with minimal sample flushing times. For example, as well as furnace top gas, the MS can also analyze gases from probes placed above and below the burden (the furnace charge of iron ore, coke and limestone). These are known as above-burden and sub-burden probes and provide valuable information on fuel efficiency, iron conversion and furnace charging. Figure 5 shows a schematic of these two probes; they can be moved across the furnace to build a cross-sectional profile of the furnace.<h4>Summary&nbsp;</h4>Thermo Scientific process mass spectrometers have been successfully monitoring blast furnace off gas at many of the world’s iron and steel companies for over 30 years. For a blast furnace producing 5,000 tonnes a day, a reduction in coke consumption of just 10 kg per tonne of iron produced provides a payback of over $10,000 a day. Users report that the combination of fast, accurate MS gas analysis for gas efficiency, heat and mass balances and hydrogen analysis, with advanced process control and mathematical modeling, has reduced coke consumption by up to 100 kg per tonne and increased iron production. Upgrading to Prima PRO MS can therefore result in complete installation payback within a few weeks.&nbsp;<ul><li>Reduces coke consumption&nbsp;</li><li>Produces consistent quality iron&nbsp;</li><li>Reduces downstream processing costs&nbsp;</li><li>Detects water leaks fast&nbsp;</li><li>Improves thermal control of furnace&nbsp;</li><li>Enables safer operation during blowdown</li></ul>

News from LabRulezGCMS Library - Week 14, 2026

<h3>We're excited to announce that <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/999">Clarity Chromatography Software</a> version 10.1.2 is now available!</h3>This minor update expands Clarity’s portfolio with new control modules.<h4>Newly added Instrument control modules</h4><ul><li>Ecom auxiliary modules</li><li>HTA ICF control modules</li><li>Spark pump</li></ul><h4>Updated Instrument control modules</h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/168">Ecom</a> HPLC</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/328">Knauer</a> HPLC</li><li>Spark ICF control modules</li><li>YoungIn Chromass HPLC</li></ul><blockquote>For a complete list of module changes, see the <a target="_blank" rel="noopener noreferrer" href="https://www.dataapex.com/version_history?product=1">Changelog</a>. For more info about exciting new features directly in Clarity, explore what was introduced in the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/5622">Clarity 10.1 release highlights</a>.Clarity can control 1000+ instruments; the <a target="_blank" rel="noopener noreferrer" href="https://www.dataapex.com/controls">list can be previewed here</a>.</blockquote><h4>Supported Instruments in Clarity (DataApex) — Quick Guide</h4>Clarity Chromatography Software supports a wide range of chromatographs and peripherals via digital control (DD) and analog acquisition (A/D) using the Colibrick module.<h5>Gas Chromatographs (GC)</h5>Digital integration over LAN/RS232 (many via ICF):<ul><li>Agilent: 5890, 6890, 7890, 8860, 8890, Intuvo 9000</li><li>Shimadzu: GC-2010/2014, Nexis GC-2030</li><li>Thermo Fisher: TRACE 1300/1310</li><li>PerkinElmer: Clarus 400–690</li><li>Also supported: Dani, Ellutia, Young In Chromass, Apix, Fuli, GOW-MAC (selected models)</li></ul><blockquote>Note: Most Agilent 6890–8890 and Intuvo use LAN – ICF.</blockquote><h5>HPLC Systems</h5>Full system/module control:<ul><li>Agilent 1100–1290 Infinity II (ICF)</li><li>Shimadzu LC-10/20 and Nexera LC-40</li><li>PerkinElmer Flexar / NexSAR</li><li>Knauer Azura / BlueShadow / Smartline</li><li>Hitachi Chromaster / Primaide</li><li>Young In Chromass ChroZen series</li><li>Sykam S500–S600, Watrex Streamline, Hanon LC7000–7300</li></ul><h5>HPLC Modules (Pumps, Detectors, Ovens, Fraction Collectors)</h5><ul><li>Pumps: Agilent 1100–1290 families, Knauer, Shimadzu, PerkinElmer, Sykam, SSI, Ecom</li><li>Detectors: VWD/DAD(PDA)/RID/FLD/ELSD across Agilent, Shimadzu, Knauer, PerkinElmer, Young In Chromass, Ecom, etc.</li><li>Column Ovens: Agilent G1316x / G7116x, Shimadzu CTO-20/30/40, Knauer CT2.1, PerkinElmer Flexar</li><li>Fraction Collectors: Knauer FC 6.1, Teledyne FOXY series, Ecom ECF 2096, Waters Fraction Collector II</li></ul><h5>Autosamplers</h5><ul><li>Agilent GC ALS (7673/7683/7693/8697), HPLC ALS modules (G1313A–G7167C)</li><li>Shimadzu AOC-20 / AOC-5000+, SIL-10 / SIL-20 / SIL-40 series</li><li>CTC Analytics PAL, HTA autosamplers, Spark Alias/UHPLC, Knauer AS 6.1L</li><li>PerkinElmer Flexar / NexSAR AS</li></ul><h5>Other Devices</h5><ul><li>GC×GC modulators (e.g., Charles University GC×GC Modulator)</li><li>Valves &amp; switch modules (Agilent, Knauer, Shimadzu, VICI-Valco)</li><li>Degassers, flow monitors, managers, interfaces</li><li>LC-MS / GC-MS: Advion Expression CMS, Microsaic 4500 MiD, Markes BenchTOF (and others)</li><li>Balances (EA extension): Mettler Toledo, Sartorius</li></ul><h5>Analog Acquisition (Colibrick)</h5>A/D support for legacy or analog-output devices:<ul><li>GC: Agilent 5880/4890A, Varian 3xxx/3800/3900, PerkinElmer Clarus series, Thermo TRACE, Shimadzu GC-14/9A, Scion 43x/45x/83xx/85xx, etc.</li><li>HPLC Detectors: Waters 2487/2489, ESA Corona, Hitachi L-series, JASCO FP/UV, Ecom LCD series, many others</li><li>Elemental &amp; Amino Acid Analyzers: Carlo Erba/Costech ECS, Biochrom 20/30+</li></ul>If you are interested in a DEMO VERSION, contact us!

DataApex Clarity Chromatography software 10.1.2 just released!

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Since 1991 DataApex develops and manufactures chromatography data stations. DataApex is constantly striving to provide users with efficient and up-to-date tools for chromatography data processing.

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This e-seminar focuses on the application of nominal and high resolution time-of-flight mass spectrometry coupled to gas chromatography and thermal inlet systems for the comprehensive quantitative and/or qualitative analysis of petroleum derived matrices, from middle distillates to vacuum residues.
<h3>Highlights include:</h3>
<ul>
<li>Adoption of GCxGC towards high temperature and phase considerations</li>
<li>Determination of boiling point distribution by high temp GCxGC</li>
<li>Classification according to compound class</li>
<li>Derivation of absolute quantitative information</li>
</ul>
<blockquote>
Presenter: Thomas Groeger (Joint Mass Spectrometry Centre, Univ of Rostock and Helmholtz Zentrum Muenchen)
</blockquote>

Pixabay/SatyaPrem: High Temp GCxGC of Light Crude Oil and High Boilers

High Temp GCxGC of Light Crude Oil and High Boilers

At our ASMS breakfast seminars, Jean-François (Jef) Focant, Head of the Department of Chemistry and Director of the Organic and Biological Analytical Chemistry group at the University of Liège, Belgium, spoke about using our Pegasus® BT 4D and Pegasus® GC-HRT 4D for GCxGC-TOFMS on the breath of asthma patients to improve asthma treatment. Before diving into the blood and sputum, Jef first educated us on the importance of optimizing your data.
For every clinical project Jef&#39;s group studies, there are three &quot;pillars&quot; to the project. First, samples must be obtained. Then, the samples must be run through a mass spectrometer for separation and detection. Finally, the resulting data must be appropriately treated to yield useful and intelligible results. While Data Treatment used to be the smallest of the pillars, advancements in LECO&#39;s technology means that so much data is produced, it has become vital to slice it thinner and more manageable.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/64e88f54364d439d895e3d0ba920d690/obrazek.png" alt="LECO/Jean-François Focant: Medical Application: Breath Volatile Compounds in Asthma Patients"/>
&quot;Because when we go to the hospital and we speak with our colleagues, they don&#39;t really care if I start to tell them &#39;Oh, the modulation period was 4 seconds, the acquisition speed was 250 hertz...&#39; they say &#39;Yes, yes,&#39; because they are polite, but they just don&#39;t give a sh.. to that. They just want to know: is it a positive sample or a negative sample?&quot;
When dealing with patient care, minimizing false negatives or false positives is crucial to providing the proper treatment. Each of the three pillars plays a critical role in this process.
All results begin with acquiring a sample. There are multiple ways of obtaining a sample from an asthmatic patient, but many are considered &quot;invasive&quot; procedures, such as collecting blood or sputum, bronchoalveolar lavage, bronchial brushings, and bronchial wall biopsies. In contrast, collecting breath condensates in a Tedlar® bag is a relatively quick and painless method to obtain a patient sample. It is easy to explain to a patient as well: Here is a bag, please blow into it.
Once a sample is obtained and brought to the lab, LECO&#39;s Pegasus® BT 4D can separate and detect the hundreds of thousands of compounds within the sample. Here is where many people go wrong, Jef says.
&quot;You have to be sure that you can use good data. It&#39;s, again, a drawback of GCxGC and TOFMS because the instruments are so good that you can end up having poor modulation efficiency, bad peak shape, and still the system will give you some information. But it will be more difficult for the system to give you good information. So having good peak shape, good peak intensity, good separation is always very important.&quot;
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/1521668a168f405282f65c49ba6e1afb/obrazek.png" alt="LECO/Jean-François Focant: Medical Application: Breath Volatile Compounds in Asthma Patients"/>
After the data has been processed, statistical treatments can be applied. Before testing asthma patients, Jef&#39;s group first ran some experiments using a test group of lung cancer patients and a control group. They wanted to first determine if it was even possible to use breath condensates to determine the health of the patient. The first data treatments did result in some separation between the groups, but they ended up with three distinct groups instead of two. They were able to determine that the environmental VOCs had actually been detected amid the cancerous VOCs, and the three groups were actually the three different times of the year which samples were acquired. While fascinating, this was not the intended outcome.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/fcadbeb930db4b5c9fb2a8144721db80/obrazek.png" alt="LECO/Jean-François Focant: Medical Application: Breath Volatile Compounds in Asthma Patients"/>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/c1b5990436fe4f1ebf0a2e8a1b2d124a/obrazek.png" alt="LECO/Jean-François Focant: Medical Application: Breath Volatile Compounds in Asthma Patients"/>
Using various classification methods, Jef was able to narrow down the 1350 features detected into two sets: 27 with Fisher Ratio and 17 with Random Forest, of which 7 overlapped. From there, he was able to separate the samples into two distinct groups, those positive for lung cancer and those negative for lung cancer.
By applying the samples to the high-resolution Pegasus® GC-HRT 4D, Jef could further drill down into the compounds he was using as markers.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/fc6f25da410e425aae6c44f898d8eeb8/obrazek.png" alt="LECO/Jean-François Focant: Medical Application: Breath Volatile Compounds in Asthma Patients"/>
As seen above, the marked peak initially looks to be Benzeneacetaldehyde, with a library match score of 871. However, the high-resolution mass spec allowed Jef to see that the mass accuracy was an incredibly poor 271.15 ppm, whereas the next likely result, Benzene, with a similarity of 827, had a much better mass accuracy of -0.23 ppm. By using the two instruments in tandem with each other, Jef was able to get much better chemical information from his data.
These experiences followed Jef into an asthma breathprint study. With a 200% increase in cases over the past ten years, asthma affects more than 334 million people worldwide, and 14% of children under the age of 18. It is a growing problem, and yet 20% of asthma patients are prescribed the wrong medicine.
There are two main phenotypes for asthma: neutrophilic and eosinophilic. Neutrophilic asthma is triggered more by pollutants and infections and can be treated with antibiotics, while eosinophilic asthma is triggered by allergens and treated with corticosteroids. Corticosteroids do nothing for neutrophilic asthma, and antibiotics do nothing for eosinophilic asthma.
As stated earlier, many of the methods to diagnose asthma are invasive, and they have a 67-72% accuracy rate. Jef&#39;s group took on the challenge of taking breath condensates from asthmatic patients to see if GCxGC-TOFMS could come up with a more viable diagnosis. To find out his results, check out his breakfast seminar recording from this year&#39;s ASMS in its entirety <a href="https://cnpg.comparenetworks.com/361502-Medical-Application-Breath-Volatile-Compounds-in-Asthma-Patients/">here</a>.
<blockquote>
Presenter: Jean-François (Jef) Focant (Head of the Chemistry Department, University of Liège, Belgium)
</blockquote>
<blockquote>
Professor Jean-François (Jef) Focant is the Head of the Chemistry Department at the University of Liège in Belgium. He leads the Organic and Biological Analytical Chemistry group of the mass spectrometry laboratory. His main research interests are the coupling of sample preparation procedures, the development of new chromatography strategies in separation science, the hyphenation to various types of mass spectrometric detectors through multidimensional systems, and the implementation of emerging strategies under QA/QC requirements for human biomonitoring and food control. Professor Focant has been active in the field of dioxin analyses for the last 15 years. He chaired the 31st International Symposium on Halogenated Persistent Organic Pollutants and POPs (DIOXIN 2011) in Brussels in 2011. Known as a dioxin expert, he is also active in other areas of separation science such as characterization of complex mixtures of volatile organic compounds (VOCs) for medical and forensic applications as well as metabolomics. Working on the hyphenation of state-of-the-art analytical techniques to solve practical analytical issues is what he enjoys.
</blockquote>

Pixabay/Capri23auto: Medical Application: Breath Volatile Compounds in Asthma Patients

Medical Application: Breath Volatile Compounds in Asthma Patients

Frank Dorman, an Associate Professor of Biochemistry and Molecular Biology at Penn State University, spoke at our ASMS breakfast seminar about his experience using our Pegasus BT 4D benchtop GCxGC-TOFMS to analyze environmental contamination in the Susquehanna river. Due to the increasing chemical complexity of the environment, GCxGC-TOFMS with its Non-Targeted compound analysis is the ideal technology for these intricate samples.
In his presentation, Analysis of Environmental Contamination in the Susquehanna River, Frank details the contamination of the watershed. His research focuses on the exposome and the molecules that are created when man-made materials interact with it. How can we proactively “discover” exposure issues? Fish contamination is the benchmark indicator species for this analysis and tracking their mutations, or macro and microscopic diseases, not only helps to determine where to place the blame, but also how to solve this before human health is negatively impacted. The team’s ongoing work using two-dimensional gas chromatography time-of-flight mass spectrometry has been a vital tool in investigating this fully.
Frank explains his reasoning why he chose GCxGC to analyze these samples over that of LC or GC.
“These sample extracts are going to be very chemically complex, so I’m going to utilize GCxGC. Why? Because it is the best separation tool in the lab. It has way, WAY more peak capacity than 1D GC and all of GC has way more peak capacity than liquid chromatography.”
This means not only are they able to identify the known knowns, but also discover known unknowns in the sample, which is something that other technologies fail to do at the same level.
Separation, accuracy, resolving power, deconvolution, and speed are all vital to characterizing complex samples; Frank employed our Pegasus BT 4D benchtop GCxGC-TOFMS system to achieve this.
“The BT has really nice sensitivity. One of our initial questions was, &#39;Alright BT, how are you going to do when we throw some nasty fish extract at you?&#39; and, I’m happy to say, it does quite well. It does have the ability (because it’s a standard electron ionization source) to handle high amounts of contaminants in the extracts.”
Having the sensitivity to handle these complex samples is of the utmost importance because there is no such thing as “clean” fish. Furthermore, the Pegasus BT 4D’s ChromaTOF® brand software is designed for advanced chromatography data processing such as this. It features tools like NonTarget Deconvolution®, Target Analyte Find, library searches, and more to identify more analytes than ever before.
When it comes to detection limits, Frank explains that the BT 4D was able to outperform a number of more traditional types of mass spectrometers, as they were a couple of orders of magnitude poorer in terms of detection limits. Additionally, if this same analysis were to be attempted on a single quadrupole, detection limits would suffer even more. In comparison, a triple quadrupole may provide fairly good detection limits, but it doesn’t allow you to look for non-targets. This is where the BT 4D really shows its data strength.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/af4d3ce4b415437bbf3e4a9980affb06/obrazek.png" alt="LECO/Frank Dorman: Analysis of Environmental Contamination in the Susquehanna River"/>
In looking at this data, it is first clear that they were able to achieve method detection limits in the range of 10ths of nanograms per a gram even without sample pre-concentration. Secondly, Frank reminds us that though you may be used to seeing a little bit better detection limits, these are very strong results considering the lack of sample preparation. This is a direct nod to the chromatographic power of the Pegasus BT 4D. Frank and his team do not need to concentrate their samples even when it is an extraordinarily complicated matrix of whole fish, all that is needed is a simple one-minute extraction then pulling solvent off. This not only saves his team time and increases their productivity, but it also saves valuable lab resources.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/89993889abb94748b3d0488f2e01101c/obrazek.png" alt="LECO/Frank Dorman: Analysis of Environmental Contamination in the Susquehanna River"/>
Using the data processing tools of ChromaTOF allowed for the comparison of the top 50 features based on Fischer Ratios following Stat Compare of effected versus control samples. As you can see from the previous image, it shows very nice, clear separation between three fish groups: the control, the diseased Juniata River, and the diseased West Branch River samples. The Pegasus BT 4D allows for these improved detection limits and is a decent start to identifying these targets and non-targeted unknowns without needing to concentrate your sample and considering that the sample matrix is very challenging.
Yet where to go from here? To take his research one-step further, Frank used GCxGC HR-TOFMS analysis (Pegasus GC-HRT+ 4D) to uncover even MORE known unknown compounds. Frank and his team want to be able to identify what these molecules are, yet with GCxGC-TOFMS, they are only finding a handful of targets in the diseased fish. This is perplexing, but Frank urges you to remember that the main area of interest has a massive, complicated fish matrix on top of it. Frank explains that high resolution helps to solve this coelution even further, and that the specificity it provides allows the user to resolve more molecules from each other, looking at alternative ionization and chemical ionization.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ac4a2864654e4f5c903c1d7a686c9c36/obrazek.png" alt="LECO/Frank Dorman: Analysis of Environmental Contamination in the Susquehanna River"/>
“LECO’s GCxGC-HRT is the solution to Known Unknowns. It provides very, very high mass resolution, 50,000 is not a problem with it. In addition, it acquires that data fast enough that we can actually legitimately record GCxGC analyses. We can directly translate methods off of the BT to the high resolution. So chromatographically we know where they eluted on the BT and where they elute the HRT, so if they find something interesting we know where to look.”
In looking at this high res data in the previous image, the match similarity is quite high and the retention time is in the 3,000 range, allowing them to look directly into the mix of the bad matrix, resulting in nice, clean mass spectra.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/71a18055d8584b2ea6bd0d30fca7b153/obrazek.png" alt="LECO/Frank Dorman: Analysis of Environmental Contamination in the Susquehanna River"/>
Additionally, the HRT system was able to identify dozens of organohalogens by using negative chemical ionization (NCI). Using this NCI mode yielded soft ionization (less fragmentation), selective (electrophilic) compounds, an almost perfect (991/1000) fidelity, and an overall improvement in sensitivity.
“You look at this as an analytical chemist, and it is really cool…when I saw this slide I was grinning ear to ear…this isn’t textbook, this is REAL.”
Frank and his research group at Penn State continue to deep dive into the mystery that surrounds fish contamination and the outside factors that cause it. Having the analytical power that GCxGC-TOFMS provides along the way is the key to discovering more about this complex environmental issue.
Overall GCxGC-TOFMS and High Resolution TOFMS are valuable tools when answering the question of “What else is in my sample?”. It is clear from Frank’s research that non-targeted compounds continue to have more impact on disease correlation than targets and these technologies are paving the way in new methodology.
Interested in learning more about Frank’s results? Check out his breakfast seminar recording from this year’s ASMS in its entirety <a href="https://cnpg.comparenetworks.com/361483-Analysis-of-Environmental-Contamination-in-the-Susquehanna-River/?__hstc=20766759.b4d5b02c3ab6fd973ecf70b612958f2e.1579620099033.1589625318881.1589662293068.21&amp;__hssc=20766759.1.1589704831185&amp;__hsfp=3758559851&amp;hsCtaTracking=b93e7cad-78fb-47ac-9e12-cd399610682f%7C9d5efefe-a6c2-4c71-9640-f75aca4d985a">here</a>.

Pixabay/Free-Photos: Analysis of Environmental Contamination in the Susquehanna River

Analysis of Environmental Contamination in the Susquehanna River

Přednáška prof. Olivera Fiehna v rámci ASMS 2019 na téma použití online metabolomických databází, možnosti LECO Pegasus vs. BT nebo nástrojů jako BinBase, BinView, MassBank.us a MS-FINDER.
<blockquote>
Presenter: Oliver Fiehn (Director West Coast Metabolomics Center, Davis, California)
</blockquote>

LECO/Oliver Fiehn: Using Open Access Online Metabolomic Databases with LECO GC-TOF MS instruments

Using Open Access Online Metabolomic Databases with LECO GC-TOF MS instruments

Presenter: Todd Richards (LECO Corporation, St. Joseph, MI)
Presenter: Joe Binkley (LECO Corporation, St. Joseph, MI)
Presenter: David Alsonso (LECO Corporation, St. Joseph, MI)

LECO: What is Identification? Comprehensive Characterization of Exposome Samples via GCxGC High Resolution TOFMS

What is Identification? Comprehensive Characterization of Exposome Samples via GCxGC High Resolution TOFMS

Presenter: Christina N. Kelly (LECO Corporation)
Presenter: Robert K. Nelson (LECO Corporation)
Presenter: Joseph E. Binkley (LECO Corporation)

LECO: Case Studies in Oil Spill Forensics: Finding Petroleum Biomarkers with GCxGC-TOFMS

Case Studies in Oil Spill Forensics: Finding Petroleum Biomarkers with GCxGC-TOFMS

To obtain a univocal identification we need three independent pieces of analytical information. Flavor and fragrance components are usually separated by gas chromatography and identified with MS spectral comparison and linear retention indices (LRI). However, diastereomeric or positional isomers can present identical retention behavior and MS spectra, and can cause misidentification. The development of a unique condensed-phase FTIR provides the solution - a simple post-column split combines it with a GC-MS instrument, using the GC to separate the components and MS (TOF) and FTIR spectrometers to give structural elucidation in a single analysis.
<h3>Learning Objectives of Webinar</h3>
<ul>
<li>When GC-MS in not enough: unique condensed phase GC-FTIR.</li>
<li>Importance of the linear retention index (LRI) in the identification procedure.</li>
<li>Comprehensive flavor and fragrance MS (TOF) / FTIR library: application for real essential oil and perfume samples.</li>
</ul>
<blockquote>
Presenter: William W. Carson, PE, Chief Technology officer, DANI Instruments INC
</blockquote>
<blockquote>
Developer of scientific and biotech separation, analysis and purification systems. He has led highly successful start-up through Fortune 500 groups developing and commercializing chromatography, membrane and hyphenated spectroscopy systems. Bill’s 30+ issued US Patents have generated over $1 Billion in sales. In 1986 he received the Millipore Prize for Innovation. In 2008 he was the winner of the R&amp;D 100 Award for the development of the DiscovIR LC a direct deposition, desolvation system which hyphenated HPLC to FTIR.
</blockquote>
<blockquote>
Presenter: Margita Utczás, PhD, Product manager Libraries, Chromaleont srl
</blockquote>
<blockquote>
Margita Utczás graduated in 2007 in Chemical engineering, then in 2009 in Biomedical engineering and in 2013 she received a PhD in Chemical Sciences at the Budapest University of Technology and Economics. She was a post doctoral fellow at the University of Messina and later worked at Chromaleont as a GC-MS specialist. She has just become the responsible of the analytical department of the Center of Sports Nutrition Science at the University of Physical Education of Budapest and currently she is an external consultant of her former workplace, Chromaleont. Her main research interests include: supercritical extraction and enzymatic resolution techniques, gas chromatographic techniques coupled to mass spectrometry and FTIR and their applications to the study of bioactive and flavor and fragrance compounds.
</blockquote>

Pixabay/djedj: Univocal Identification of Flavor and Fragrance Compounds Using GC-MS (TOF) / Condensed Phase FTIR with an Extensive Library

Univocal Identification of Flavor and Fragrance Compounds Using GC-MS (TOF) / Condensed Phase FTIR with an Extensive Library

In this webinar you will:
<ul>
<li>Learn about the Centri platform for fully-automated, multi-mode sample preparation </li>
<li>Understand how trapping technology can extend the performance of traditional sampling techniques such as SPME, headspace and sorptive extraction</li>
<li>See how GC×GC can reveal hidden information for complex samples </li>
<li>Hear about the use of parallel detection to gain additional layers of information in aroma profiling</li>
</ul>

SepSolve Analytical: Automated aroma profiling of alcoholic beverages by sorptive extraction and GC×GC-FID/TOF MS/SCD

Automated aroma profiling of alcoholic beverages by sorptive extraction and GC×GC-FID/TOF MS/SCD

Learn about the Centri platform for fully-automated, multi-mode sample preparation.

GCMS webinars focusing on GC/TOF - page 13