Whether a drug can effectively bind to its target protein, or how different parts of a virus or a cell interact, depends on processes taking place at the level of individual molecules. Their behaviour is determined not only by their shape, but also by the electrostatic forces acting between them. Understanding how these forces are distributed helps scientists explain why certain molecules attract each other, how they bind and how they interact.This is where the <a target="_blank" rel="noopener noreferrer" href="https://acc.biodata.ceitec.cz/">Atomic Charge Calculator (ACC)</a> comes in. Researchers at Masaryk University have been developing this computational tool for more than a decade. Its third and most advanced generation to date was developed at CEITEC Masaryk University and the Faculty of Science at Masaryk University, in collaboration with the Faculty of Informatics at Masaryk University and Palacký University Olomouc.ACC III calculates the electric charges of individual atoms and visualises their distribution directly within three-dimensional molecular structures. It brings together twenty different calculation methods in a single environment and can work with a wide range of molecules – from small organic compounds to proteins and other large biomolecular structures.A key advantage of Atomic Charge Calculator III is that it combines a broad range of computational methods with ease of access. Basic calculations can be performed directly in a web browser, with no need to install specialised software or register for an account. The resulting charges can be displayed directly on a 3D model of the molecule. For advanced users and large-scale analyses, the platform also supports automated data processing and allows its computational core to be run locally.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/CEITEC_Co_pritahuje_molekuly_Nova_generace_nastroje_z_CEITEC_zviditelnuje_sily_mezi_atomy_d32d7bd2cd.jpg" alt="CEITEC/Biological Data Management and Analysis Core Facility: What Attracts Molecules? A New Generation of a CEITEC Tool Makes the Forces Between Atoms Visible: Oseltamivir bound to influenza virus neuraminidase (blue: positive partial charges, red: negative charges). A strong electrostatic interaction occurs between a negatively charged region of the drug and positively charged regions of the protein." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_CEITEC_Co_pritahuje_molekuly_Nova_generace_nastroje_z_CEITEC_zviditelnuje_sily_mezi_atomy_d32d7bd2cd.jpg 140w," sizes="100vw" width="1600" height="1786"><h3>Why are scientists interested in the electric charges of atoms?</h3>Electrons are not distributed evenly within molecules. Individual atoms can therefore carry different partial electric charges. These charges play an important role in determining how molecules behave towards their surroundings and towards one another.Positively and negatively charged regions of molecules can attract each other, while regions with the same charge repel each other. The distribution of these charges therefore helps determine which molecules approach each other, how they orient themselves and how strongly they may bind. In biology, this is important, for example, in molecular recognition or when a drug binds to its target protein. Understanding partial charges therefore helps scientists gain insight into the interactions underlying the behaviour of many molecular systems.There is, however, no single universal way to determine partial charges. Different computational methods can produce different values, and the choice of method also depends on how the results will be used. Accurate quantum-chemical calculations can also become very computationally demanding when large numbers of structures are involved. ACC III therefore brings together empirical methods that allow these calculations to be performed more quickly and on a large scale.“From the outset, we designed ACC III to make calculating partial atomic charges as straightforward as possible. Users do not need to install anything or deal with complicated settings – they simply upload a molecule and start the calculation with a single click. The application then suggests suitable methods from the twenty available and can handle both small molecules and large biomolecular structures,” says <a target="_blank" rel="noopener noreferrer" href="https://www.ceitec.eu/tomas-racek-ph-d/u94476?page=publication">Tomáš Raček</a>, who has been developing and maintaining ACC since 2018.<h3>How an antiviral drug binds to an influenza virus protein</h3>The authors demonstrate what charge distribution can reveal using the well-known antiviral drug oseltamivir, marketed as Tamiflu. The drug binds to neuraminidase, a protein of the influenza A virus. ACC III can show directly within the three-dimensional structure where positive and negative partial charges are located and how they contribute to the interaction between the drug and the protein.“The example of oseltamivir clearly shows why it is useful not only to calculate the charges, but also to visualise them directly within the structure. This allows us to see which parts of the two molecules interact electrostatically. The same approach can be used to study many other molecular systems,” explains Tomáš Raček.ACC III is not limited to small molecules. It can also work with proteins and other large biomolecular structures. The authors demonstrate this using a second example: the SARS-CoV-2 pore complex. Coronaviruses form these pores during replication in infected cells and use them to transport viral RNA across membranes. Visualising partial charges helps distinguish the parts of the complex that pass through the non-polar environment of the membrane from its more highly charged regions.<h3>From calculation straight to a 3D model</h3>The new generation of the Atomic Charge Calculator also offers more advanced visualisation. It uses Mol*, which allows calculated charges to be mapped directly onto a three-dimensional structure and explored interactively. A visualisation created using ACC III was also selected for the cover of the special Nucleic Acids Research Web Server Issue. Created by Tomáš Raček, the cover image shows the distribution of partial charges in a membrane protein system.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/CEITEC_Co_pritahuje_molekuly_Nova_generace_nastroje_z_CEITEC_zviditelnuje_sily_mezi_atomy_3_85cc310925.jpeg" alt="CEITEC/Oxford University Press: What Attracts Molecules? A New Generation of a CEITEC Tool Makes the Forces Between Atoms Visible: Cover page in Nucleic Acids Research journal." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_CEITEC_Co_pritahuje_molekuly_Nova_generace_nastroje_z_CEITEC_zviditelnuje_sily_mezi_atomy_3_85cc310925.jpeg 124w," sizes="100vw" width="1600" height="2011">Results can be downloaded in several standard formats and, for the first time, stored directly in the mmCIF format commonly used for three-dimensional biomolecular structures. Information about the structure and its calculated charges can therefore remain together in a single file and be used by other tools.For researchers who need to process large numbers of structures, ACC III also provides an API and a computational core that can be run locally. The platform can therefore be used both for individual calculations through its web interface and as part of larger automated analyses.<h3>More than a decade of development</h3>Scientists introduced the first Atomic Charge Calculator in 2015, followed by its second generation in 2020. In the meantime, the team also developed specialised tools: PDBCharges for structures from the Protein Data Bank and AlphaCharges for structures from the AlphaFold Database.“The Atomic Charge Calculator was never a one-off project,” says <a target="_blank" rel="noopener noreferrer" href="https://www.ceitec.eu/prof-radka-svobodova-ph-d/u17518?page=publication">Radka Svobodová</a>, Head of the Biological Data Management and Analysis Core Facility at CEITEC Masaryk University. “For more than a decade, we have been continuously developing tools that respond both to new possibilities in structural bioinformatics and to the needs of their users. The third generation combines straightforward web-based use with capabilities that are important for the automated processing of large numbers of molecular structures.”<blockquote>Atomic Charge Calculator III is freely available through its web interface and does not require registration for basic use. Its development was supported by the ELIXIR CZ research infrastructure.</blockquote><h5>The authors presented the new generation of the tool in <a target="_blank" rel="noopener noreferrer" href="https://academic.oup.com/nar/article/54/W1/W211/8662890">Nucleic Acids Research</a>.</h5>

What Attracts Molecules? A New Generation of a CEITEC Tool Makes the Forces Between Atoms Visible 

Not every concentration job can tolerate heat — and not every concentrator that handles heat well can handle cold. <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2441">Refrigerated centrifugal vacuum concentrators</a> exist for a specific reason: proteins, RNA, enzymes, and synthetic peptides degrade quickly under thermal stress, and standard concentrators that rely on heat alone can compromise sample integrity before evaporation finishes. We compared two of the leading refrigerated systems — the Labconco Refrigerated CentriVap and the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2611">Thermo Fisher Refrigerated SpeedVac SRF110</a> — to see how they stack up for labs where sample preservation is non-negotiable.<blockquote><a target="_blank" rel="noopener noreferrer" href="https://explore.organomation.com/labconco-refrigerated-centrivap-vs-thermo-fisher-refrigerated-speedvac">Download the full comparison with pricing here!</a></blockquote><h3>The Problem Refrigeration Actually Solves</h3>It's a detail that gets lost in most spec-sheet comparisons: running a<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/products?manufacturerItems=540&amp;search=centrivap"> vacuum concentrator </a>without temperature control can cause a sample to over-cool itself. As solvent evaporates under vacuum, the process pulls latent heat from the sample — the same evaporative cooling effect that makes sweat feel cold on skin. For a heat-stable solvent, that's irrelevant. For a temperature-sensitive biomolecule, it can drop the sample low enough to risk unwanted freezing or sublimation mid-run. Labconco's own engineering notes for the Refrigerated CentriVap describe this directly: the unit pairs a refrigeration system with a heater so operators can hold a precise set-point temperature and avoid sublimated samples caused by evaporative cooling. That's the whole reason this product category exists, and it's worth understanding before comparing specs line by line.<h3>Price: A Wider Gap at the High End</h3>The Labconco Refrigerated CentriVap is typically priced around $13,000 USD. The Thermo Fisher SRF110 runs higher, generally $15,000–$17,000 USD, and that's before factoring in the modular kit components — Thermo Fisher sells the SRF110 with a separate vacuum system, rotor, vapor trap, and heat transfer fluid bundled into the total kit price. The price gap between these two refrigerated units is proportionally larger than what we found comparing their non-refrigerated counterparts, which makes the value case for the CentriVap even more pronounced at this tier.<h3>Capacity: The Difference That Matters Most Right Now</h3>This is where the two systems really separate, and it lines up with where lab demand is heading. The Refrigerated CentriVap processes up to 312 samples per run; the SRF110 tops out at 132. Both handle volumes up to 50 mL, so this isn't a volume trade-off the way it was in our earlier comparison — it's a straight throughput advantage for the CentriVap.That gap matters because<a target="_blank" rel="noopener noreferrer" href="https://peptidestaff.com/industry-trends/peptide-therapy-market-forecast-2026/"> peptide-based therapeutics </a>have become one of the fastest-growing classes of drugs in the pharmaceutical industry, and manufacturing capacity — not demand — is widely cited as the primary bottleneck holding the sector back. <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/article/7541">GLP-1 programs</a> in particular are pushing <a target="_blank" rel="noopener noreferrer" href="https://www.bachem.com/knowledge-center/glp-1-demand-for-peptide-manufacturers/">peptide manufacturers</a> toward industrialized, large-scale production platforms rather than one-off batch work. <a target="_blank" rel="noopener noreferrer" href="https://www.organomation.com/">Sample prep equipment</a> sits squarely inside that bottleneck: every purification run, HPLC fraction, and concentration step has to scale alongside the chemistry. A concentrator that processes more than double the samples per run, like the Refrigerated CentriVap, is a meaningfully different proposition for a peptide synthesis or purification lab than it would have been five years ago.<h3>Temperature Range: How Cold You Can Go</h3>The CentriVap's refrigeration reaches as low as -10°C; the SRF110 bottoms out at -4°C. Both units heat up to +100°C. That six-degree gap on the cold end isn't dramatic on paper, but for the most heat-labile peptides and enzymes, the lower floor gives operators more margin before a sample is at risk — particularly during longer runs where evaporative cooling has more time to compound any thermal load on the sample.<h3>Vortex Speed and Mechanical Flexibility</h3>The CentriVap offers an adjustable vortex range from 500 to 1,800 rpm, while the SRF110 runs up to 1,725 rpm. The CentriVap's lower floor is the more useful distinction here — fragile, large, or shear-sensitive samples (think intact proteins or larger peptide constructs) sometimes need to run at reduced rotor speed to avoid mechanical stress, and the CentriVap gives operators that headroom on both ends rather than just a ceiling.<h3>Lid Material: Visibility vs. Durability</h3>The Refrigerated CentriVap uses a glass lid, letting operators see into the chamber during a run. The SRF110 uses an epoxy-coated aluminum lid, which trades visibility for added durability. For labs running visually distinct sample batches — colored buffers, multiple project codes, HPLC fractions pulled at different time points — the ability to glance at the chamber without interrupting a run has real workflow value, especially in a core facility setting where one instrument serves multiple research groups.<h3>What This Means for Core Facilities</h3>Shared instrumentation cores feel throughput and cold-temperature constraints differently than a single-PI lab does. A<a target="_blank" rel="noopener noreferrer" href="https://blog.organomation.com/blog/an-appreciation-for-academic-core-labs"> core running samples from multiple research groups </a>— some doing routine RNA cleanup, others running heat-labile peptide fractions from an HPLC purification step — needs an instrument that won't bottleneck on either axis. The CentriVap's combination of higher per-run capacity and a lower refrigeration floor gives a shared facility more room to serve mixed workloads without forcing every group onto the same conservative settings a less flexible unit would require.<h3>Built for the Same Footprint</h3>Both units are sized for fume hood placement, with the CentriVap measuring 15.0 x 27.2 x 13.9 inches against the SRF110's 16.62 x 25 x 13.75 inches — close enough that floor planning isn't a deciding factor either way. Both carry standard one-year warranties.<h3>The Bottom Line</h3>For labs concentrating proteins, RNA, enzymes, or peptide fractions at scale — particularly anyone supporting peptide therapeutic development, where production capacity is already the limiting factor industry-wide — the Labconco Refrigerated CentriVap's combination of higher throughput, lower cold-temperature floor, and lower price makes it the stronger fit. The SRF110 remains a capable option for labs with smaller batch sizes already standardized on Thermo Fisher's modular vacuum ecosystem.Organomation distributes the full Labconco CentriVap line, including the Refrigerated and Refrigerated Pro models. Contact our team at sales@organomation.com to talk through rotor configuration, cold trap pairing, and throughput planning for your lab.&nbsp;<blockquote><h5><a target="_blank" rel="noopener noreferrer" href="https://explore.organomation.com/labconco-refrigerated-centrivap-vs-thermo-fisher-refrigerated-speedvac">Download the full comparison with pricing here!</a></h5></blockquote>

Refrigerated SpeedVac SRF110 vs. CentriVap - Why Sample Capacity Matters More Than Ever for Peptide and Protein Labs

What if you could assess a tumor's metastatic potential — without extensive sample prep — directly from tissue? Rachel Wood is working on exactly that.Rachel Wood is a PhD candidate at Queen's University (Kingston, Ontario),&nbsp;working jointly in the labs of Dr. Richard Oleschuk (Chemistry) and Dr. Chris&nbsp;Nicoll (Pathology &amp; Molecular Medicine). Her research applies Ambient Ionization Mass Spectrometry — specifically the Liquid Microjunction Surface Sampling Probe &nbsp;(LMJ-SSP) and Desorption Electrospray Ionization (DESI) — to profile the metabolomics of non-metastatic and metastatic clear cell Renal Cell Carcinoma (ccRCC) cell lines. The long-term goal: a rapid, minimally invasive MS-based prognostic tool for kidney cancer.This is the first reported use of LMJ-SSP to assess metastatic status in ccRCC —&nbsp;and early PCA results are already showing distinct separation between cell line&nbsp; profiles.<h5>In this episode, David and Rachel cover:</h5><ul><li>Why ccRCC is such a resistant biomarker problem despite active genomic, proteomic, and metabolomic research</li><li>The clinical stakes of "diagnosed by accident" — and what a prognostic biomarker actually needs to do for a clinician</li><li>How AIMS complements (not replaces) LC-MS in a discovery-phase cancer workflow</li><li>LMJ-SSP vs. DESI: what each technique sees that the other misses, including spatial resolution differences (~1mm vs. ~50µm)</li><li>Why Rachel runs LMJ-SSP on both a triple quad and a Q-TOF — and what each instrument contributes to the same research question</li><li>How her lab repurposed a 3D printer as a custom automated XYZ sampling stage with 50µm movement precision</li><li>Managing high-dimensional metabolomics data across two polarities, two cell lines, and two mass analyzers — the pipeline explained</li><li>What unsupervised machine learning (PCA) showed in early results</li><li>The path from cell lines to excised tumor tissue to, ultimately, liquid biopsies</li><li>Advice for analytical chemists considering work at the chemistry–oncology interface</li></ul><h3>Video Transcription</h3>Kidney cancer remains a difficult biomarker problem, particularly when researchers try to distinguish tumors that are likely to behave aggressively from those that are not. In a recent episode of Concentrating on Chromatography, PhD researcher Rachel Wood discussed how she is combining rapid ambient ionization mass spectrometry, LMJ-SSP, DESI, multivariate data analysis, and conventional LC-MS workflows to investigate the molecular differences associated with clear cell renal cell carcinoma and its metastatic potential.<h4>Returning to the research question that started it all</h4>Wood first encountered kidney cancer research during her undergraduate studies. Although she later moved into a more instrumentation-focused master’s project involving breast cancer, the subject of kidney cancer remained unfinished business.When the opportunity arose to choose a PhD project, she returned to the field that had originally sparked her interest in research. She is now conducting her doctoral work at Queen’s University in Kingston, Ontario, in an interdisciplinary environment spanning chemistry, pathology, molecular medicine, computer science, and clinical research.<h4>Why clear cell renal cell carcinoma is such a difficult biomarker problem</h4>Wood’s research focuses on clear cell renal cell carcinoma (ccRCC), which represents the majority of kidney cancer cases discussed in the interview.The difficulty is not a lack of research effort. Genomics, proteomics, and metabolomics studies have all produced promising biomarker candidates. The challenge is that different studies often identify different sets of markers, with relatively little overlap between them.Patient-to-patient biological variability further complicates the picture. A candidate biomarker panel that performs well in one cohort may not reproduce equally well in another. Selecting which features deserve further investigation therefore becomes a major analytical and biological challenge.<h4>From incidental diagnosis to prognostic information</h4>Another difficulty is the way kidney cancer is often discovered.Rather than being detected through a dedicated screening program, tumors may be found incidentally during imaging performed for another reason. According to Wood, the ideal solution would be a diagnostic biomarker capable of detecting kidney cancer early. Such a marker is not currently available within the scope of the work she described.That places additional importance on prognostic biomarkers. Once a tumor has been detected, clinicians need as much information as possible about how aggressive it may be and how likely it is to progress.Wood’s current work is therefore not attempting to declare directly that a particular patient has metastatic disease. Instead, the goal is to understand what changes biologically as a tumor moves from a less aggressive to a more aggressive state.That means asking which molecular pathways change, which mechanisms become altered, and which analytes may eventually provide useful indicators of tumor behavior.<h4>AIMS and LC-MS answer different questions</h4>A central theme of the interview was the relationship between rapid ambient ionization mass spectrometry and conventional LC-MS.Wood is clear that AIMS is not intended to replace LC-MS. Instead, she sees the two approaches as complementary.AIMS provides a rapid way to obtain a broad molecular overview of a sample with minimal preparation. This makes it especially useful during the discovery phase, when the goal is to gather as much molecular information as possible and identify features that distinguish biological groups.LC-MS then becomes valuable when those features need to be separated, characterized more carefully, and quantified with greater confidence.In Wood’s workflow, rapid MS screening can therefore help identify which analytes deserve closer attention before more targeted LC-MS investigations are performed.<h4>What “minimal sample preparation” actually means</h4>The amount of sample preparation required depends strongly on the type of material being analyzed.Wood currently works mainly with cultured human cell lines, which means much of the preparation begins with growing the cells themselves. Depending on the experiment, the cells may then be chemically lysed or subjected to fixation, paraffin embedding, and sectioning before analysis by LMJ-SSP or DESI.She also notes that the possibilities would be different for freshly excised tumor material. In an appropriate perioperative or biosafety laboratory setting, LMJ-SSP could potentially be used to analyze tumor margins more directly.The practical meaning of “minimal preparation” is therefore highly dependent on the sample and the analytical question being asked.<h4>Why combine LMJ-SSP and DESI?</h4>Rather than choosing between LMJ-SSP and DESI, Wood uses the two approaches because they provide different types of information.LMJ-SSP offers rapid, localized analysis and can accommodate samples with uneven surface topography, which is particularly useful for excised tissue.DESI, by contrast, provides substantially higher spatial resolution. In the workflow described in the interview, DESI can achieve spatial resolution on the order of tens of micrometers, whereas LMJ-SSP operates at a much larger sampling scale depending on probe design.That higher spatial resolution is important when moving from simplified cell-line models toward actual tumor tissue, where the molecular organization of different regions may reveal biologically relevant differences.Combining both techniques therefore enables researchers to balance speed, surface compatibility, and spatial information.<h4>Two mass analyzers for two parts of the same problem</h4>Wood also uses two different mass spectrometers in her LMJ-SSP work.Most of the discovery work is carried out using a triple quadrupole mass spectrometer, particularly because her project focuses strongly on lower-mass analytes and small molecules.Once statistically important analytes have been identified, a Q-TOF instrument can be used for MS/MS experiments and tentative structural identification.The two instruments therefore address different stages of the workflow: one supports broad discovery and comparison, while the other provides additional structural information needed to connect selected features with possible metabolic pathways.<h4>Turning a 3D printer into an automated sampling platform</h4>One of the most unusual elements of the project is the automated sampling system used with LMJ-SSP.Historically, LMJ-SSP measurements could be performed manually or with custom-built XYZ positioning stages. Wood’s laboratory instead adapted a 3D printer into an automated positioning system.Custom software controls the printer and moves the sampling probe with precise control over its X, Y, and Z positions. According to Wood, the system enables movements down to approximately 50 µm and also controls parameters such as the contact time between the probe and sample and the delay between consecutive sampling events.This level of automation improves reproducibility because variables that would otherwise depend on manual operation can be controlled systematically.Even the Z-position can be programmed, allowing the probe to operate at constant or varying heights depending on the sample surface.<h4>Managing high-dimensional MS data</h4>The experimental design creates a large data-analysis challenge.Wood is working with multiple cell lines, both ionization polarities, and more than one mass analyzer. To maintain traceability, she analyzes the data in clearly defined subsets.A typical workflow might begin with one mass analyzer and one polarity. Within that condition, the lower-aggressiveness and higher-aggressiveness cell models can then be compared directly.The data processing pipeline includes steps such as:<ul><li>binning,</li><li>normalization,</li><li>transformation,</li><li>dimensionality reduction,</li><li>identification of discriminating molecular features.</li></ul>Once relevant features are identified, MS/MS analysis can be used to investigate them further. The same process is then repeated across other polarities and instruments.<h4>Unsupervised machine learning reveals distinct molecular profiles</h4>Machine learning is particularly valuable because the AIMS datasets are highly dimensional, containing very large numbers of molecular features across multiple samples.Wood’s initial analysis has included principal component analysis (PCA), an unsupervised dimensionality-reduction technique.The early results are encouraging: the non-metastatic and metastatic cell-line models separate clearly in PCA space.That does not itself identify a definitive biomarker panel, but it indicates that the two biological states have distinguishable molecular profiles even though both belong to the same kidney cancer subtype.This provides an important foundation for identifying which specific metabolites or molecular pathways may be responsible for the separation.<h4>Testing LMJ-SSP for metastatic status</h4>A particularly novel aspect of Wood’s project is the use of LMJ-SSP to investigate differences associated with metastatic status.She had previously worked on distinguishing healthy and cancerous tissues, where the biological differences are relatively large. Comparing two states within the same cancer type is more demanding because the molecular changes may be much subtler.The scientific motivation, however, is strong. Tumors discovered at later stages carry greater concern for metastatic progression, making it important to understand the molecular changes associated with increasingly aggressive behavior.For Wood, this made the methodological risk worthwhile: the analytical challenge directly addresses an area where better prognostic information could ultimately have clinical value.<h4>A long-term goal: rapid MS-based prognostic testing</h4>The long-term vision extends beyond cell-line research.Wood is interested in whether rapid, minimally invasive mass spectrometry could eventually contribute to clinical decision-making.One possibility would be identifying a diagnostic biomarker in a liquid biopsy, potentially using blood or urine. A urine-based marker capable of contributing to earlier detection would be particularly attractive for kidney cancer.For prognostic applications, the goal would be slightly different. Once a tumor is discovered, molecular information could help characterize its likely behavior and provide clinicians with additional evidence when deciding between immediate treatment, surgery, or other management strategies.Wood emphasizes that such a tool would not replace standard clinical workflows. Instead, it would provide additional molecular information to complement existing diagnostic and pathological approaches.<h4>Why interdisciplinary work matters</h4>Throughout the interview, Wood repeatedly returns to the importance of collaboration.Her research sits at the intersection of analytical chemistry, pathology, oncology, computation, and clinical medicine. No single researcher can remain equally current in all of these fields.Working closely with pathologists, computer scientists, surgeons, medical students, and other specialists therefore provides both scientific expertise and a way to stay connected with developments outside one’s immediate discipline.For Wood, the biological context has also changed how she thinks about analytical chemistry. Developing a new instrument or method is important, but understanding who may ultimately benefit from that analytical capability makes the research more meaningful.That patient-centered perspective is now an integral part of how she approaches the project.<h4>An intersection full of opportunities</h4>Wood describes the interface between analytical chemistry and oncology as an especially exciting area for young researchers.The work can range from troubleshooting instrumentation to interpreting pathology, developing statistical methods, and collaborating across disciplines. That diversity creates constant opportunities to learn and to apply analytical chemistry to clinically relevant questions.Her project illustrates that modern mass spectrometry research is increasingly about more than generating spectra. It involves connecting instrumentation, spatial sampling, multivariate statistics, machine learning, biological interpretation, and clinical needs into a single analytical strategy.And in kidney cancer, where reliable prognostic biomarkers remain difficult to establish, that integrated approach may be particularly valuable.<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><blockquote><h4>Concentrating on Chromatography Podcast</h4>Dive into the frontiers of chromatography, mass spectrometry, and sample preparation with host David Oliva. Each episode features candid conversations with leading researchers, industry innovators, and passionate scientists who are shaping the future of analytical chemistry. From decoding PFAS detection challenges to exploring the latest in AI-assisted liquid chromatography, this show uncovers practical workflows, sustainability breakthroughs, and the real-world impact of separation science. Whether you’re a chromatographer, lab professional, or researcher you'll discover inspiring content!You can find Concentrating on Chromatography Podcast in podcast apps:<ul><li><a target="_blank" rel="noopener noreferrer" href="https://open.spotify.com/show/1wZg67rCjoGju4yhqxI3tL">Spotify</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podcasts.apple.com/tz/podcast/concentrating-on-chromatography/id1788429185">Apple podcast</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podscan.fm/podcasts/concentrating-on-chromatography">podscan</a></li></ul>and on <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/@ChromatographyTalk/videos">YouTube channel</a></blockquote>

AIMS vs. LC-MS for Cancer Diagnostics: ccRCC Metabolomics with Rachel Wood

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Since its establishment in 2011, CEITEC has quickly developed into a cutting-edge infrastructure for research which performs highly alongside the best institutes in Europe. Among the main priorities of CEITEC are the promotion of a motivating and dynamic international scientific environment, the provision of state-of-the-art research infrastructure, and the policy of open communication and equal opportunities.

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Organomation, founded in 1959, designs and manufactures high-quality nitrogen evaporators and extraction systems. Known for innovation and durability, their lab instruments are used globally for efficient sample preparation with strong customer support.

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LECO Multi-Mode Source

Multi-Mode Source (MMS) integrates EI, PCI, and NCI/ECNI in a single GC-MS ion source, enabling instant software-based mode switching with perfect peak alignment and enhanced unknown identification.

The innovative Multi-Mode Source (MMS) integrates the strengths of the three most widely used GC-MS ionization techniques—Electron Ionization (EI), Positive Chemical Ionization (PCI), and Negative Chemical Ionization (NCI/ECNI)—into a single, easy-to-use source. With MMS, switching ionization modes is software-controlled and instantaneous, eliminating hardware changes and alignment concerns.Paired with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/38">Pegasus GC-HRT+</a>, MMS delivers excellent mass accuracy and high resolution for pseudo-molecular ions, complementing traditional high-resolution EI (HR-EI) to enable comprehensive characterization of unknown compounds. Because the hardware remains untouched during mode changes, chromatographic peaks stay perfectly aligned across ionization modes—simplifying comparison and interpretation.All three ionization modes (EI, PCI, NCI/ECNI) are available for both GC-MS and GC×GC-MS workflows on the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/39">Pegasus GC-HRT+ 4D</a> as well as the Pegasus GC-HRT+ systems.<h3>Key Benefits</h3><ul><li>Three ionization modes in one source: EI, PCI, and NCI/ECNI</li><li>No hardware swapping or realignment: mode changes at the click of a button</li><li>Consistent peak alignment across ionization modes</li><li>Enhanced unknown identification via complementary EI and CI information</li><li>Compatible with GC-MS and GC×GC-MS on Pegasus GC-HRT+ platforms</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Multi_Mode_Source_2_79908249a5/LECO-Multi-Mode-Source-2.jpg" alt="LECO: Multi-Mode Source for the Pegasus GC-HRT+ and Pegasus GC-HRT+ 4D" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_Multi_Mode_Source_2_79908249a5/thumbnail_LECO-Multi-Mode-Source-2.jpg 245w," sizes="100vw" width="1817" height="1082">

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Compact GC-TOFMS delivering full mass range data in every run, high sensitivity, NonTarget Deconvolution® and StayClean® EI source for reliable non-target and routine GC-MS analysis.

The Pegasus BT GC-TOFMS is a compact, high-performance benchtop gas chromatography time-of-flight mass spectrometer designed to deliver comprehensive chemical information with exceptional sensitivity, speed, and reliability. It combines advanced TOF mass spectrometry hardware with LECO’s powerful <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41">ChromaTOF® software</a> to support both routine and advanced analytical workflows.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Pegasus_BT_2_bc8a8d0505.jpg" alt="LECO PEGASUS BT GC-TOFMS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_Pegasus_BT_2_bc8a8d0505.jpg 238w," sizes="100vw" width="932" height="612">Designed for laboratories that need to analyze more samples, generate more data, and achieve results faster, the Pegasus BT acquires full-range mass spectral data in every run—ensuring that no analytes are missed, even in highly complex matrices. Industry-leading sensitivity, combined with NonTarget Deconvolution® (NTD®), enables confident identification and quantification of both known and unknown compounds by effectively separating co-eluting peaks and minimizing matrix interferences.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_GC_TOFMS_7_be16be31ec.jpg" alt="LECO PEGASUS BT GC-TOFMS: NonTarget Deconvolution® (NTD®) Automated deconvolution ensures that coeluting peaks and matrix interferences don't hinder your analyses.StayClean Ion Source Open-style EI source virtually eliminates downtime associated with source cleaning*, which means you can spend your time running more samples. *Even after 3,000 sludge injections, source has not needed cleaning." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_GC_TOFMS_7_be16be31ec.jpg 245w," sizes="100vw" width="768" height="432">The system features LECO’s proven StayClean® open-style EI ion source, which virtually eliminates downtime associated with source cleaning and allows extended operation even with challenging sample matrices. Its compact benchtop footprint makes the Pegasus BT an ideal solution for laboratories with limited space, without compromising analytical performance.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_GC_TOFMS_6_047f81e642.jpg" alt="LECO PEGASUS BT GC-TOFMS: " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_GC_TOFMS_6_047f81e642.jpg 245w," sizes="100vw" width="616" height="375">Fully integrated ChromaTOF® software provides automated deconvolution, quantification, reporting, batch processing, and long-term data mining. The Pegasus BT GC-TOFMS is ideally suited for pesticide analysis, metabolomics, petroleum and fuel characterization, food, flavor, and fragrance analysis, and other demanding GC-MS applications.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_GC_TOFMS_2_cc1a963b9e.jpg" alt="LECO PEGASUS BT GC-TOFMS: ChromaTOF® software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_GC_TOFMS_2_cc1a963b9e.jpg 245w," sizes="100vw" width="943" height="566"><h3>Key Features</h3><ul><li>Benchtop GC-TOFMS with full-range mass spectral acquisition in every analysis</li><li>Industry-leading sensitivity for trace-level detection</li><li>NonTarget Deconvolution® (NTD®) for reliable separation of co-eluting compounds and suppression of matrix interferences</li><li>StayClean® open-style EI ion source for minimal maintenance and reduced downtime</li><li>High sample throughput with excellent repeatability</li><li>Compact footprint with uncompromised analytical performance</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_GC_TOFMS_5fd6d4a332.jpg" alt="LECO PEGASUS BT GC-TOFMS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_GC_TOFMS_5fd6d4a332.jpg 245w," sizes="100vw" width="1220" height="591"><h3>Applications</h3><ul><li>Pesticides and environmental contaminants</li><li>Petroleum products, fuels, and fuel marker analysis</li><li>Metabolomics and non-target screening</li><li>Food, flavor, and fragrance analysis</li><li>Characterization of complex matrices and unknown identification</li></ul><h5>&nbsp;Calibration curve in strawberry matrix: Cyprodinil</h5><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_GC_TOFMS_3_6a4f0ecc50.jpg" alt="LECO PEGASUS BT GC-TOFMS: The calibration curve at left shows excellent linearity, and sensitivity easily meets all standard requirements." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_GC_TOFMS_3_6a4f0ecc50.jpg 245w," sizes="100vw" width="871" height="480"><h5>Characterization of fuel markers at trace levels is easy and routine</h5><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_GC_TOFMS_4_33217d7f2e.jpg" alt="LECO PEGASUS BT GC-TOFMS: Full TIC chromatogram of a spiked commercial diesel sample." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_GC_TOFMS_4_33217d7f2e.jpg 237w," sizes="100vw" width="742" height="489">

LECO PEGASUS BT 4D GC×GC-TOFMS

LECO PEGASUS BT 4D GC×GC-TOFMS combines comprehensive two-dimensional GC with fast TOFMS to improve separation, sensitivity, and confidence in qualitative and quantitative analysis of complex samples.

The LECO PEGASUS BT 4D GC×GC-TOFMS is a high-performance benchtop system that combines comprehensive two-dimensional gas chromatography (GC×GC) with time-of-flight mass spectrometry (TOFMS) to deliver unmatched separation power, sensitivity, and confidence in compound identification. Designed for laboratories facing highly complex samples, the PEGASUS BT 4D enables qualitative and quantitative analysis in a single run while maximizing productivity and data quality.By coupling GC×GC separation with fast TOFMS acquisition, the system dramatically increases chromatographic peak capacity and resolves co-eluting compounds that are difficult or impossible to distinguish by conventional 1D GC-MS. Enhanced signal-to-noise ratios translate into lower detection limits, improved linearity, and more reliable quantification—even in challenging matrices.<h3>What GC×GC Brings to Your Analysis</h3>GC×GC modulation refocuses and reinjects analytes from the first column into a second column with a different stationary phase, providing structured chromatograms that improve interpretability of complex data. This approach improves both separation efficiency and interpretability of results, allowing you to identify more compounds with greater confidence and consistency.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_c9ad0bd186.jpg" alt="LECO PEGASUS BT 4D GC×GC-TOFMS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_c9ad0bd186.jpg 245w," sizes="100vw" width="1029" height="594"><h3>Confident Identification and Quantification</h3>The PEGASUS BT 4D excels in both comprehensive screening and targeted applications. Spectral deconvolution combined with high-speed TOFMS acquisition reveals analytes present in complex matrices, while GC×GC separation minimizes matrix interferences for superior quantitative performance. What was once a marginal library match in GC-MS becomes a confident identification in GC×GC-TOFMS.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_2_4e033e866c.jpg" alt="LECO PEGASUS BT 4D GC×GC-TOFMS: Quantitative analysis using the Pegasus BT 4D" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_2_4e033e866c.jpg 245w," sizes="100vw" width="1443" height="637"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_3_18eebd600d.jpg" alt="LECO PEGASUS BT 4D GC×GC-TOFMS: Qualitative analysis using the Pegasus BT 4D" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_3_18eebd600d.jpg 210w," sizes="100vw" width="1442" height="1069"><h3>Robust Design for High-Throughput Labs</h3>Equipped with LECO’s proven StayClean® ion source, the PEGASUS BT 4D minimizes routine maintenance and downtime, even when analyzing dirty or complex samples. Integrated with ChromaTOF® software, the system provides seamless instrument control, automated data processing, and powerful qualitative and quantitative tools within a single platform.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_c2644cd38e.jpg" alt="LECO - PEGASUS BT 4D GCxGC-TOFMS.jpg" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_c2644cd38e.jpg 202w," sizes="100vw" width="1099" height="849"><h3>Key Benefits</h3><ul><li>Exceptional chromatographic resolution and peak capacity with GC×GC</li><li>Enhanced sensitivity and lower detection limits through modulation-based signal focusing</li><li>High-speed TOFMS acquisition for accurate deconvolution of narrow GC×GC peaks</li><li>Reliable identification and quantification of analytes</li><li>Reduced maintenance with the StayClean® ion source</li><li>Fully integrated ChromaTOF® software for acquisition, processing, and reporting</li></ul><h3>Applications</h3>The LECO PEGASUS BT 4D GC×GC-TOFMS is ideally suited for demanding applications across environmental analysis, petrochemical and energy research, food and flavor/fragrance analysis, forensics, life sciences, and metabolomics—anywhere complex mixtures require maximum separation power and analytical confidence.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_4_8e8ec115ec.jpg" alt="LECO PEGASUS BT 4D GCxGC-TOFMS: Excellent Sensitivity" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_4_8e8ec115ec.jpg 244w," sizes="100vw" width="974" height="625">With the PEGASUS BT 4D, you can predict, quantify, and identify more compounds with confidence, turning complex data into clear, actionable results.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_5_625fed2f0d.jpg" alt="LECO PEGASUS BT 4D GCxGC-TOFMS: Identify MORE with confidence/non-target analysis" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_PEGASUS_BT_4_D_G_Cx_GC_TOFMS_5_625fed2f0d.jpg 240w," sizes="100vw" width="1034" height="672">

LECO Pegasus GC-HRT+

Ultra-high-resolution GC-TOFMS with up to 50,000 FWHM, <1 ppm mass accuracy, and 200 spectra/s. Pegasus GC-HRT+ delivers unmatched sensitivity and confident identification in complex samples.

Now with even higher sensitivity, the Pegasus GC-HRT+ is designed to meet the most demanding analytical challenges. This high-performance GC-TOFMS delivers industry-leading mass accuracy, full-range acquisition at exceptional speed, precise isotopic abundance, and ultra-high mass resolution—all within a single injection.Folded Flight Path (FFP) technology combined with a novel data acquisition system enables up to 50,000 FWHM resolution, &lt;1 ppm mass accuracy, and acquisition rates up to 200 spectra/s, supporting rich analyte discovery and high-confidence identification in highly complex samples.<h3>Key features</h3><ul><li>Mass accuracy ≤1 ppm with peak capacity at least 2× higher than conventional MS platforms</li><li>Encoded Frequent Pushing (EFP) for markedly increased sensitivity, expanded dynamic range, and wide mass range</li><li>Folded Flight Path (FFP) technology for ultra-high resolution, enhanced sensitivity, and advanced TOF focusing</li><li>KADAS® ion-statistics-based acquisition to reduce noise, ensure mass accuracy, and minimize file size</li><li>Ultra High Resolution + HRD to resolve highly isobaric ions (mass differences ~0.02 amu)</li><li>Multi-Mode Source (MMS): EI, Positive CI, and ECNI in one system</li></ul><h3>Models</h3><ul><li>Pegasus GC-HRT+ – Full-scale GC-TOFMS</li></ul><h3>Options</h3><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/82">L-PAL3 Automated Sample Injector</a></li></ul>

LECO Pegasus GC-HRT+ 4D

High-resolution GC×GC-TOFMS system combining extreme separation power, up to 200 spectra/s acquisition, and advanced HR deconvolution for confident identification of unknowns in complex samples.

The Pegasus GC-HRT+ 4D from LECO combines comprehensive two-dimensional gas chromatography (GC×GC) with high-resolution time-of-flight mass spectrometry (TOFMS) and advanced High-Resolution Deconvolution (HRD). Designed for the most complex sample matrices, the system enables detection, separation, and confident identification of more analytes than ever before. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41">ChromaTOF® software</a>, purpose-built for HRT+ instrumentation and GC×GC workflows, integrates advanced qualitative and quantitative tools into a single, user-friendly data system.<h3>Key Features</h3><ul><li>Compact benchtop design that saves valuable laboratory space</li><li>Industry-leading sensitivity with proprietary deconvolution algorithms for clean, high-quality spectra</li><li>High acquisition speed up to 200 spectra/s to properly define ultra-narrow GC×GC peaks (&lt;200 ms)</li><li>Complete historical mass-spectral record retained for future data mining and reprocessing</li><li>Proven Pegasus reliability and durability in a modern, space-efficient format</li></ul><h3>GC×GC Performance Explained</h3>GC×GC achieves exceptionally high peak capacity by trapping compounds eluting from the first column and reinjecting them into a second column for rapid secondary separation. These second-dimension separations occur within seconds, producing extremely narrow peaks that demand very high spectral acquisition rates. The Pegasus GC-HRT+ 4D meets and exceeds this requirement, enabling robust spectral deconvolution and confident compound identification in highly complex samples.<h3>Available Configurations</h3><ul><li>Pegasus GC-HRT+ 4D with Liquid Nitrogen Thermal Modulator</li><li>Pegasus GC-HRT+ 4D with Cryogen-Free Modulator</li></ul><h3>Optional Accessories</h3><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/82">L-PAL3 Autosampler</a></li></ul>

LECO ChromaTOF Software

ChromaTOF is LECO’s advanced GC and GC×GC analytical software, offering fully integrated instrument control, powerful deconvolution, and high-end qualitative and quantitative analysis for TOFMS data.

ChromaTOF is proprietary analytical software developed by LECO specifically for GC-TOFMS and GC×GC-TOFMS workflows. It is purpose-built to handle the extremely large datasets generated by time-of-flight mass spectrometers and to fully support multidimensional chromatography (GC×GC) in a single, integrated data system.ChromaTOF provides seamless instrument and accessory control, highly integrated qualitative and quantitative data processing, and an intuitive user interface. It was the first mass spectrometry data system to natively accommodate GC×GC data and remains a reference platform for advanced GC and GC×GC analysis.<h3>What Makes ChromaTOF Unique</h3><ul><li>Automatic saving of all data processing steps directly within the file system</li><li>Integrated storage and management of metadata and instrument data</li><li>All standard features included in a single software package</li><li>Built-in control for compatible options, activated only when needed</li><li>Easy-to-use yet powerful, efficient, and robust environment</li><li>Frequent updates for maintenance improvements and new functionality</li></ul>ChromaTOF combines advanced qualitative and quantitative capabilities in one user-friendly platform and supports both <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products?category=21&amp;manufacturerItems=24&amp;search=bt">Pegasus BT</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/38">Pegasus GC-HRT</a> instrument families.<h3>What Can ChromaTOF Do</h3><ul><li>Automatic tuning with report generation</li><li>Absolute quantitation using calibration curves</li><li>Relative quantitation based on reference or analyte curves</li><li>Quantitation using single-channel detectors (FID)</li><li>Importable workspace templates to speed up setup</li><li>Spectral deconvolution with library searches (NIST, Wiley, or user libraries)</li><li>Semi-quantitative analysis of non-calibrated compounds</li><li>Integrated control of LECO and Agilent sample handling systems</li><li>Automatic export to CSV, ANDI MS, NETCDF, or LECO formats</li><li>Compatibility with liquid nitrogen and consumable-free <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/44">GC×GC thermal modulators</a></li><li>GC×GC classification and method development tools</li><li>Integrated GC control</li><li>Unknown-unknown discovery using ChemSpider</li><li>Advanced calculation tools:<ul><li>Monoisotopic mass from molecular formula</li><li>Formula generation from measured mass</li><li>Required mass resolution for separating close masses</li></ul></li></ul>Licensing options: 90-day free trial, 1-year subscription, or perpetual license.<h3>Exclusive Features for Pegasus High-Resolution Models</h3><ul><li>Automated unknown identification using High-Resolution Deconvolution</li><li>Automatic fragment formula generation with mass accuracy reporting</li><li>Accurate <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/application::paper.paper/SEP_SCI_ACCURATE_MASS_LIBRARY_209-272.pdf">Mass Spectral Libraries</a> with AML Rank similarity scoring</li><li>User-scalable mass defect plots (e.g., Kendrick mass defect)</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/application::paper.paper/SPECTRAL_ANALYSIS_TOOL_SAT_209-262.pdf">Optional Spectral Analysis Tool</a> with Van Krevelen and CN vs. RDBE plots</li></ul><h3>Features for Pegasus Benchtop Models</h3><ul><li>Automated unknown identification using Non-Target Deconvolution</li><li>Full profile mass spectra acquisition at 35 kHz with better-than-nominal resolution</li></ul>

LECO GCxGC FLUX flow modulator

Flux GC×GC flow modulator simplifies GC×GC analysis using diverting flow principles. It offers robust, cost-effective modulation without cryogens, ideal for complex, concentrated samples.

Our innovative Flux GC×GC flow modulator was designed with one goal in mind—to make GC×GC more routine, accessible, and easier for you. The flow modulator's concept is based on the sound and easily understood principles first articulated by Seeley et al. on diverting flow. This extraordinarily simple design comprising of a cross shape and sideways T, is not only easy to setup and get started, but its ease-of-use makes it the most cost-effective option for GC×GC analysis.This flow-based modulator is perfect for those who want to perform robust GC×GC analysis, but who don't need the sensitivity of standard quad jet thermal modulation. Ideal samples should be complex, but relatively concentrated. Appropriate applications include petroleum and fragrance analyses such as the classic weathered crude oil example pictured below, which shows a GC×GC plot generated on our Pegasus® BT platform using the Flux flow modulator.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ee943ea0acb34a8d9c5b72e7ace10666/obrazek_l.webp" alt="LECO GCxGC FLUX flow modulator" width="957" height="523"><h4>Theory of Operation: Diverting Flow</h4>The first and secondary capillary columns are connected together through a simple tube with a fixed gap between the columns. A flow of gas (helium) is then used to inject into the second column or divert to waste. The precision timing and flows are all handled by our integrated software, therefore you just have to click one button to setup and begin performing flow modulation GC×GC on our Pegasus BT platform.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/508b477dd1604d15855f26d786d5b1e4/obrazek_l.webp" alt="LECO GCxGC FLUX flow modulator" width="1026" height="488">Furthermore, no complex spreadsheets are needed to understand your method. This simple and robust design does not require cryogens to carry out GC×GC, which saves time and boosts efficiency in your lab.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/6796d4581c894291b9fab0088753cb8b/obrazek_l.webp" alt="LECO GCxGC FLUX flow modulator" width="918" height="545">

LECO QUADJET Thermal Modulator

Consumable-free dual-stage thermal jet modulator for GC×GC delivering on-column cryo-focusing, higher peak detectability, superior separation, and reliable performance without liquid nitrogen.

The QUADJET Thermal Modulator from LECO delivers industry-leading performance for comprehensive two-dimensional gas chromatography (GC×GC). Compared to alternative thermal or valve-based modulators, QUADJET stands out for its exceptional ruggedness, long-term reliability, and superior modulation efficiency.This GC×GC modulation system uses a dual-stage thermal jet modulator positioned between the first- and second-dimension columns. The design enables true on-column cryo-focusing, significantly enhancing peak sharpness, detectability, and separation power—especially for co-eluting compounds in complex sample matrices.<h3>Key benefits</h3><ul><li>Highest modulation performance for GC×GC Enhances peak detectability and improves separation of co-eluting compounds.</li><li>Dual-stage thermal jet design Provides efficient trapping and re-injection between columns.</li><li>On-column cryo-focusing Improves sensitivity and separation of closely eluting analytes.</li><li>Exceptional robustness and reliability Designed for routine, long-term GC×GC operation.</li></ul><h3>Thermal modulation without liquid nitrogen</h3>Unlike traditional cryogenic modulators, the QUADJET thermal modulator is consumable-free. It delivers the full performance benefits of thermal modulation without the need for liquid nitrogen, eliminating cryogen costs, logistical complexity, and downtime—while maintaining consistent, high-quality results.The QUADJET Thermal Modulator is an ideal choice for laboratories seeking maximum GC×GC performance with minimal operational burden, particularly in demanding applications involving highly complex samples.

LECO L-PAL3 GC Autosampler

LECO L-PAL3 GC Autosampler delivers flexible, discrimination-free GC injections with automated liquid, headspace, SPME, and ITEX sampling, high vial capacity, and minimal carryover.

Available exclusively from LECO, the L-PAL3 GC Autosampler is a highly robust, fully integrated autosampling platform designed for high flexibility and reliability in gas chromatography workflows. Based on proven CTC PAL3 technology, it supports discrimination-free ultrafast GC injections and minimizes carryover while ensuring precise and reproducible sample handling.Key innovations include automatic tool exchange (ATX) for seamless switching between liquid, headspace, SPME, and ITEX sampling modes, vial bottom sensing to prevent mis-injections, and high vial capacity for unattended operation. These features allow analysts to focus on compound identification without downtime or uncertainty.<h3>Key Features</h3><ul><li>Allows for automation of up to 162 two mL samples, or 45 ten/twenty mL samples.</li><li>Discrimination-free injection speeds with complete injection cycle time down to 100 milliseconds.</li><li>Bottom-sensing technology ensures that even very small volumes can be sampled.</li><li>Four separate models available so you may configure your package based on your autosampler needs.</li><li>Automatic Tool Exchange (ATX) allows users to switch between liquid, SPME, and headspace seamlessly.</li><li>96 to 384 well plate sampling supported; requires foil cutter.</li><li>Now available with Peltier cooled racks.</li></ul><h3>Available Configurations</h3><h4>L-PAL3 GC Autosampler – Liquid Injections</h4><ul><li>3-axis CTC-based autosampler/injector</li><li>Standard liquid injections</li><li>5-position solvent wash station</li><li>Liquid syringe tool</li><li>GC mounting kit</li><li>Single tray holder with 3 trays × 54 positions (2 mL vials)</li><li>Non-upgradable configuration</li></ul><h4>L-PAL3 GC Autosampler – Liquid &amp; Headspace Injections</h4><ul><li>Liquid and static headspace injections</li><li>Heated agitator</li><li>5-position solvent wash station</li><li>Liquid syringe tool + heated headspace syringe tool</li><li>GC mounting kit</li><li>Two tray holders:<ul><li>3 × 54 positions (2 mL vials)</li><li>3 × 15 positions (10/20 mL vials)</li></ul></li><li>Manual tool exchange between liquid and headspace modes</li></ul><h4>ITEX Dynamic Headspace Tool</h4><ul><li>Rapid, sensitive enrichment of volatile and semi-volatile compounds</li><li>Suitable for solid, liquid, and gaseous samples</li><li>Choice of adsorbents for optimal sensitivity</li><li>No sample loops, transfer lines, or valves → minimal contamination risk</li><li>ATX enables Headspace, SPME, and ITEX within a single sequence</li></ul><h4>L-PAL3 GC Autosampler – Liquid &amp; SPME Injections</h4><ul><li>Liquid injections and all SPME modes (immersion, headspace)</li><li>Heated agitator</li><li>5-position solvent wash station</li><li>Liquid syringe tool + SPME fiber tools</li><li>SPME fiber conditioning station</li><li>GC mounting kit</li><li>Two tray holders:<ul><li>3 × 54 positions (2 mL vials)</li><li>3 × 15 positions (10/20 mL vials)</li></ul></li><li>Manual tool exchange between liquid and SPME modes</li></ul><h3>L-PAL3 GC Autosampler – Liquid, Headspace &amp; SPME</h3><ul><li>Fully automated switching between liquid, headspace, and SPME</li><li>Heated agitator</li><li>5-position solvent wash station</li><li>Tools for liquid syringe, headspace syringe, and SPME fibers</li><li>SPME fiber conditioning station</li><li>GC mounting kit</li><li>Two tray holders:<ul><li>3 × 54 positions (2 mL vials)</li><li>3 × 15 positions (10/20 mL vials)</li></ul></li></ul>

LECO Simply GC×GC®

Simply GC×GC from LECO guides users through the steps of creating an optimized GC×GC method or converting an existing 1D GC method for complex samples.

Simply GC×GC from LECO is a free tool designed to walk users through the steps of creating an optimized GC×GC method for complex samples.The tool allows users to create a GC×GC method from scratch or convert an existing 1D GC method to GC×GC.Simply GC×GC provides logical, step-by-step instructions, for example for:<ul><li>setting the secondary oven offset,</li><li>setting the second-dimension column length,</li><li>experimentally evaluating stationary phases and peak capacity.</li></ul>Simply GC×GC takes a simple approach to GC×GC and helps users avoid unnecessary testing while streamlining the method development cycle.

Products from LECO distributed by LECO Instrumente Plzeň - page 5

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