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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Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system

The Inuvion Core system gives you all the benefits of chemical suppression and higher-pressure operation, with manual eluent preparation.

<h3>Welcome to the evolution of everyday IC reliability</h3>The new Thermo Scientific™ Dionex™ Inuvion™ ion chromatography system makes ion analysis simpler and more intuitive than ever before. And it delivers exactly what a busy analytical testing lab is looking for: consistently excellent results-every shift, every day, for every operator.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_2_6400708696.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ ion chromatography system." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_2_6400708696.jpg 245w," sizes="100vw" width="825" height="498"><h3>Start with Inuvion Core</h3>The Inuvion Core system gives you all the benefits of chemical suppression and higher-pressure operation, with manual eluent preparation. You still enjoy the same robust Dionex Inuvion platform-easily configurable and economically upgradeable to full-featured capabilities as budget allows.<figure class="image"><img style="aspect-ratio:650/650;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Dionex_Inuvion_Core_ion_chromatography_system_6c8824cb1d.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Dionex_Inuvion_Core_ion_chromatography_system_6c8824cb1d.jpg 156w," sizes="100vw" width="650" height="650"></figure><h3>SIMPLE, INTUITIVE USER EXPERIENCE&nbsp;</h3><ul><li>Smart, function-driven design lets you quickly and safely access everything on the instrument—no hard-to-reach compartments, and no step stools or extra tools needed!</li><li>Automated startup and shutdown routines ensure the system is quickly ready for the day’s work without user intervention.&nbsp;</li><li>Built-in how-to videos reduce training time and simplify setup and operation.</li></ul><h3>ULTRA-RELIABLE PERFORMANCE&nbsp;</h3><ul><li>Advanced high-performance pump technology and electronics let you take advantage of a wider range of columns and chemistries to improve the speed and quality of your results.</li><li>Fast, flexible, convenient electrolytic suppression: Just connect the suppressor; no external pump or offline conditioning needed for regeneration.</li><li>Reagent-free IC (RFIC™) capability makes eluent preparation as simple as “just add water,” while ensuring more consistent results and enabling optimized gradient separations.</li></ul><h3>EASILY CONFIGURABLE AND UPGRADEABLE</h3><ul><li>Versatile, adaptable platform lets you configure the exact Dionex Inuvion IC system for today’s needs and budget, with confidence that your system will also meet your future needs.</li><li>Multiple options and peripherals extend IC capabilities, letting you easily—and cost-effectively—adapt to changing sample types and workflow requirements.</li></ul><h3>Simply the best system for everyday ion analysis</h3><figure class="image"><img style="aspect-ratio:1107/755;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_d855feb2a8.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ ion chromatography system." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_d855feb2a8.jpg 229w," sizes="100vw" width="1107" height="755"></figure>1. Operator-friendly engineering saves time and reduces errors by allowing easy, unobstructed access to all components, connections and consumables2. Compact design helps you make the most of valuable bench space3. Digital gas pressure regulator increases precision of gas delivery for maximum day-to-day consistency (optional)4. Temperature-controlled conductivity cell improves reproducibility and ensures baseline stability5. Vacuum degassing capability enables more consistent peak identification from smoother baselines6. Seal wash pump reduces maintenance costs when using manually prepared eluents (optional)&nbsp;7. Reagent-free IC (RFIC) saves time and ensures greater day-to-day and operator-to-operator consistency, while also allowing the use of gradient separations8. Electrolytic suppression entirely eliminates the need for manual regenerant preparation (or, opt for a continuously regenerated, always- ready-to-go chemical suppressor)9. Thermo Scientific™ Dionex™ IC PEEK Viper™ fittings ensure confident, low dead volume connections every time—no tools required! (optional)10. Integrated column heater minimizes the impact of fluctuations in lab temperature that can adversely affect results (optional)11. 6- or 10-port auxiliary valve lets you automate in-line sample preparation12. State-of-the-art high-pressure pump (up to 5000 psi) lets you increase flow rates with smaller particle columns to reduce run times or add additional separation capacity with longer column length13. System self-diagnostics automatically detect any issues with hardware and consumables14. Self-service capabilities and user-swappable parts help you get back up and running in a hurry Automatic eluent monitor alerts the operator to low solution levels, avoiding potential system damage or failed runs (optional)15. Automatic eluent monitor alerts the operator to low solution levels, avoiding potential system damage or failed runs (optional)<h3>Flexible, adaptable Dionex Inuvion platform</h3>You can configure your Dionex Inuvion system to meet specific analytical and budget requirements, and easily reconfigure as needed. Multiple configurations and peripherals extend IC capabilities, letting you easily-and cost-effectively-adapt to changing sample types and workflow requirements.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_3_fa8233bcd4.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ ion chromatography system." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Dionex_Inuvion_ion_chromatography_system_3_fa8233bcd4.jpg 245w," sizes="100vw" width="1246" height="572"><h3>Consistently excellent results every day</h3>The Dionex Inuvion IC system supports a full range of columns to improve the speed and quality of results, for both anions and cations. Expanded capabilities, such as Reagent-Free IC (RFIC), enhance operator-to-operator consistency, while enabling the use of eluent gradients to optimize separations.<h4>Rapid results</h4><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_Obr_2_Ukazka_rychle_separace_zakladnich_aniontu_s_uhlicitanovou_MF_Zkraceni_doby_analyzy_diky_typu_kolony_a_vyssimu_prutoku_0e610b919d.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system: Figure 1. Elution of seven common inorganic anions using carbonate eluent. Short columns and fast flow rates let you reduce run times." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Pragolab_Obr_2_Ukazka_rychle_separace_zakladnich_aniontu_s_uhlicitanovou_MF_Zkraceni_doby_analyzy_diky_typu_kolony_a_vyssimu_prutoku_0e610b919d.jpg 245w," sizes="100vw" width="1622" height="739"><h4>Exceptional reproducibility</h4><figure class="image"><img style="aspect-ratio:1693/754;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_Obr_3_Ukazka_reprodukovatelnosti_analyzy_zakladnich_aniontu_40_nastriku_Spickova_technologie_cerpadla_a_elektronika_pristroje_poskytuji_konzistentni_a_reprodukovatelne_vysledky_f66e7430cf.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system: Figure 2. Overlay of 40 replicate injections. State-of-the-art pump technology and Electronics deliver consistent, reproducible results." width="1693" height="754"></figure><h4>Increased sensitivity and consistency</h4><figure class="image"><img style="aspect-ratio:1860/836;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_Obr_4_Ukazka_vysoce_citlive_analyzy_aniontu_ve_vodach_Eluent_generator_KOH_a_elektrolyticka_suprese_snizuji_pozadi_cimz_dochazi_ke_zvyseni_citlivosti_da55facfd0.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system: Figure 3. Determination of inorganic anions in drinking and surface waters. KOH eluent generation and electrolytic suppression yield lower backgrounds for greater sensitivity and increased day-to-day consistency." width="1860" height="836"></figure><h4>Method optimization</h4><figure class="image"><img style="aspect-ratio:1799/889;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_Obr_5_Ukazka_optimalizace_metody_zkraceni_doby_analyzy_pouzitim_gradientu_mobilni_faze_fc1fbe9cb0.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system: Figure 4. Comparison of isocratic and gradient runs using eluent generation. Reduce run length and sharpen later-eluting peaks with the same ease as an isocratic run with no need for two separate eluents or a proportioning pump." width="1799" height="889"></figure><h3>Compliance-ready Chromeleon CDS</h3>A trusted industry standard all over the world, ”Simply Intelligent” <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) software </a>brings out the full power of the Dionex Inuvion IC system. Easy to learn and easy to use, it automates and optimizes daily tasks and helps even inexperienced users achieve consistent, high quality results.<img style="aspect-ratio:3700/1660;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Thermo_Scientific_Dionex_Inuvion_2_303a6eb73b.jpg" alt="Thermo Scientific™ Dionex™ Inuvion™ Core ion chromatography system." width="3700" height="1660">

Thermo Scientific TraceGOLD™ TG-1MS GC Columns

Choose the nonpolar Thermo Scientific™ TraceGOLD™ TG-1MS GC column for optimal signal-to-noise ratio, sensitivity, and MS integrity. 

Achieve consistent results with this low-bleed, stable column. For optimal signal-to-noise ratio, sensitivity and MS integrity for a wide variety of applications, the nonpolar TraceGOLD TG-1MS GC column is an excellent choice.<figure class="image"><img style="aspect-ratio:1377/843;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_GC_kolona_Thermo_Trace_GOLD_TG_1_MS_721a943897/Pragolab-GC-kolona-Thermo-TraceGOLD-TG-1MS.jpg" alt="Thermo Scientific™: TraceGOLD™ TG-1MS GC Columns" width="1377" height="843"></figure><h4>Engineered for Superior Performance:</h4><ul><li>Nonpolar, 100% dimethyl polysiloxane</li><li>Equivalent to USP G2</li><li>Exceptionally low-bleed</li></ul><h4>A Leap Forward in Performance with Low-Bleed and Superior Inertness:</h4><ul><li>Low baseline noise enables improved limits of detection with enhanced resolution of low-level analytes.</li><li>Minimizing column bleed extends the column lifetime, leading to higher productivity.</li><li>Reducing column bleed increases reproducibility of the stationary phase over time, resulting in greater run-to-run and batch-to-batch reproducibility.</li><li>Superior inertness ensures excellent peak shape and sensitivity, especially for highly active or difficult to analyze compounds.</li></ul><h4>Recommended For:</h4><ul><li>Hydrocarbons</li><li>GROs</li><li>Drugs of Abuse</li><li>PCBs</li></ul><h4>Alternative Uses:</h4><ul><li>Chlorinated aromatics</li><li>Organochlorine pesticides</li><li>Organophosphorous pesticides</li><li>Polycyclic aromatic hydrocarbons (PAHs)</li><li>Paraffins</li><li>Polywax</li><li>Pyrethroids</li><li>Semivolatiles</li><li>Xylenes</li></ul><h4>Similar To:</h4><ul><li>Rxi™-1ms</li><li>DB-1</li><li>DB-1ms</li><li>HP-1</li><li>HP-1ms</li><li>Ultra-1</li><li>SPB™-1</li><li>Equity™-1</li><li>VF-1ms</li><li>CP-Sil 5 CB Low Bleed/MS</li></ul>

Thermo Scientific TraceGOLD™ TG-1 MT Metal GC Columns

Push the limits of your analyses with Thermo Scientific™ TraceGOLD™ TG-1MT GC Columns. These nonpolar, metal columns allow you to work a temperatures up to 430°C

Push the limits of your analyses with Thermo Scientific™ TraceGOLD™ TG-1MT GC Columns. These nonpolar, metal columns allow you to work a temperatures up to 430°C with no compromise in performance when analyzing highly active and aggressive compounds.<h4>Engineered for Superior Performance:</h4><ul><li>Nonpolar, 100% dimethyl polysiloxane</li><li>Low bleed for excellent signal-to-noise ratio, sensitivity and mass spectral integrity</li><li>Stable to 430°C</li><li>USP Type: G1, G2, G38</li></ul><h4>A Leap Forward in Performance with Low-Bleed and Superior Inertness:</h4><ul><li>A low bleed, stable column produces consistent results.</li><li>Low baseline noise enables improved limits of detection with enhanced resolution of low level analytes. Minimizing column bleed extends the column lifetime, leading to higher productivity.</li><li>Reducing column bleed increases reproducibility of the stationary phase over time, resulting in greater run-to-run and batch-to-batch reproducibility.</li><li>Superior inertness ensures excellent peak shape and sensitivity, especially for highly active or difficult compounds.</li></ul><h4>Applications:</h4><ul><li>Hydrocarbons</li><li>Solvent impurities</li><li>Polychlorinated biphenyl (PCB) congeners</li><li>Aroclor mixes</li><li>Simulated distillation</li><li>Drugs of abuse</li><li>Natural gas odorants</li><li>Essential oils</li><li>Pesticides</li></ul><h4>Alternative Uses:</h4><ul><li>Chlorinated aromatics</li><li>Organochlorine pesticides</li><li>Organophosphorous pesticides</li><li>Polycyclic aromatic hydrocarbons (PAHs)</li><li>Paraffins</li><li>Polywax</li><li>Pyrethroids</li><li>Semivolatiles</li><li>Xylenes</li></ul><h4>Similar To:</h4><ul><li>MXT™-1</li><li>DB-1</li><li>DB-1MS</li><li>HP-1</li><li>HP-1MS</li><li>Ultra-1</li><li>SPB™-1</li><li>Equity™-1</li><li>MDN-1</li><li>CP-Sil 5 CB</li><li>VF-1ms</li><li>ZB-1HT</li></ul>

Thermo Scientific™ LipidSearch™ Software

Thermo Scientific™ LipidSearch™ software provides accurate identification of lipids and automatically integrates complex data into a concise report.

<h3>The promise of lipidomics</h3>Lipidomics is a new field of study crucial for understanding cellular physiology and pathology. The application of lipidomic profiling to disease phenotype analysis is a rapidly growing aspect of translational medical research. Identification of unique lipid biomarkers has the potential to distinguish healthy individuals from individuals at risk for disease, detect diseases earlier, and facilitate development of personalized treatments.Liquid chromatography combined with mass spectrometry (LC/MS) is a widely adopted technique for lipidomics analyses. Relative and absolute quantitation, and identification, of lipids from biological samples requires sophisticated software with an extensive, comprehensive database. Thermo Scientific™ LipidSearch™ software provides accurate identification of lipids and automatically integrates complex data into a concise report. With its easy-to-use web-based interface, it dramatically reduces data analysis time.<figure class="image"><img style="aspect-ratio:915/494;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_2_73b7d0a9e2.jpg" alt="Thermo Scientific™ LipidSearch™ Software: Easy-to-use web browser interface for automated and reliable identification." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_2_73b7d0a9e2.jpg 245w," sizes="100vw" width="915" height="494"></figure><h3>Automated identification and relative quantitation with LipidSearch software</h3>LipidSearch software, developed jointly by Professor Ryo Taguchi and MKI, (Tokyo, Japan), is a powerful new tool for automatic identification and relative quantification of cellular lipid molecular species from large amounts of mass spectrometric data obtained in nano-infusion or LC-MS experiments. Using the industry-leading, high-resolution, accurate-mass <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=orbitrap">Thermo Scientific Orbitrap™ technology</a> with exclusive LipidSearch software, the most accurate and confident lipid profiles and identifications can be achieved more quickly than ever before.<ul><li>Compatible with data acquired from Thermo Scientific™ triple quadrupole, ion trap, and Orbitrap mass spectrometers</li><li>Largest lipid database containing &gt;1.5 million lipid ions and their predicted fragment ions</li><li>Identification algorithms for product ion, precursor ion and neutral loss scans</li><li>Alignment of lipid data obtained from multiple LC-MS and MSn experiments</li><li>Relative quantitation of identified lipid precursors in either LC-MS or infusion experiments</li></ul>The database contains defined structures and includes more than 1.5 million lipid ions and their predicted fragment ions. Fragmentation patterns are calculated and improved by using expert knowledge based on experimental results. Lipid adduct ions and MSn fingerprints are also included. Data are stored in XML files and are easily customized.<figure class="image"><img style="aspect-ratio:990/497;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_3_91f1458663.jpg" alt="Thermo Scientific™ LipidSearch™ Software: Lipid fragment ions related to lipid headgroup, fatty acids, and backbone." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_3_91f1458663.jpg 245w," sizes="100vw" width="990" height="497"></figure><h3>LipidSearch software provides an easy-to-use, automated workflow</h3>From peak detection to relative quantitaiton and identification, LipidSearch software provides an easy-to-use, automated workflow.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_4_2043f3d667.jpg" alt="Thermo Scientific™ LipidSearch™ Software: LipidSearch software provides an easy-to-use, automated workflow." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_4_2043f3d667.jpg 245w," sizes="100vw" width="1122" height="530"><h4>Step 1 Data Analysis Module — Peak Detection</h4><ul><li>Raw data file reading</li><li>Smart peak detection</li></ul>The peak detection engine implemented in LipidSearch software can handle different MS experiments and platforms. The combination of unique peak detection algorithms, tailored for each experiment and instrument type, and mass spectral processing functions enables accurate peak detection.LipidSearch software provides two different identification algorithms as well as scoring algorithms:<ul><li>A group-specific algorithm identifies lipids based on the polar head groups or fatty acids using a combination of precursor ion scanning and neutral loss scans from lipids mixtures.</li><li>The comprehensive ID algorithm is used for product ion scans and can discriminate each lipid by matching the predicted fragmentation pattern stored in the database.</li><li>LipidSearch software also provides a set of scoring algorithms to filter out lower probability results</li></ul><h4>Step 2 Identification Module — Lipid Identification</h4><ul><li>Group-specific ID (targeted)</li><li>Comprehensive ID (untargeted)</li><li>Scoring algorithms</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_5_0abd534dd5.jpg" alt="Thermo Scientific™ LipidSearch™ Software: PG 17:0/17:0 Search Results." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_5_0abd534dd5.jpg 245w," sizes="100vw" width="1003" height="456"><h4>Step 3 Quantitation Module — Alignment and Quantitation</h4><ul><li>XIC peak integration</li><li>Retention time alignment</li><li>Relative quantitation</li><li>Statistical analysis</li></ul>Prior to quantitation, lipid results from each sample are aligned within a retention time window. Identified lipids are quantified by detecting their precursor ions from full-scan MS and integrating extracted ion chromatograms.Accurate peak areas are computed by denoising and smoothing the peak profiles prior to separating any partially overlapped peaks. Comparative analysis is then carried out between the multiple sample and control groups using t-test statistics. The mean peak area result for each group is displayed in a “box and whisker” plot.<figure class="image"><img style="aspect-ratio:1129/909;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_6_196073034c.jpg" alt="Thermo Scientific™ LipidSearch™ Software: Alignment results for CoQ7, [M+NH4]+." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_6_196073034c.jpg 194w," sizes="100vw" width="1129" height="909"></figure>Using the industry-leading, high-resolution, accurate-mass <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=orbitrap">Thermo Scientific™ Orbitrap™ technology</a> with exclusive LipidSearch software, achieve the most accurate and confident lipid profiles and identifications more quickly than ever before. For targeted quantitation, LipidSearch software also supports the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=tsq">Thermo Scientific TSQ triple quadrupole MS systems</a>. For both lipidomics workflows, LipidSearch software automatically integrates complex data into a combined report to dramatically reduce data analysis.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_7_f6a5102f0a.jpg" alt="Thermo Scientific™ LipidSearch™ Software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_7_f6a5102f0a.jpg 245w," sizes="100vw" width="924" height="570"><h5>Minimum/Recommended PC Requirements</h5><ul><li>OS: Microsoft® Windows® 7 Professional (x64) or Windows 8 (x64); English language CPU: Quad - or multi-core CPU, 2 GHz or higher Memory: 8 GB RAM or higher HDD: 50 GB free space for LipidSearch software; 500 GB hard drive SSD (optional): 50 GB free space for LipidSearch software; 256 GB solid-state drive</li></ul>

Thermo Scientific TraceGOLD™ TG-5MS GC Columns

Employ the most widely used MS phase in gas chromatography with the 5% phenyl phase Thermo Scientific™ TraceGOLD™ TG-5MS GC Column.

Employ the most widely used MS phase in gas chromatography with the 5% phenyl phase TraceGOLD TG-5MS GC Column.<ul><li>Low polarity phase, 5% diphenyl/95% dimethyl polysiloxane</li><li>Low bleed for excellent signal-to-noise ratio, sensitivity and mass spectral integrity</li><li>Exceptional inertness ideal for analysis of active compounds</li><li>Equivalent to USP G27 phase</li></ul><figure class="image"><img style="aspect-ratio:1411/863;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_GC_kolona_Trace_GOLD_TG_5_MS_GC_columns_a9e173e392/Pragolab-GC-kolona-TraceGOLD-TG-5MS-GC-columns.jpg" alt="Thermo Scientific: TraceGOLD™ TG-5MS GC Columns" width="1411" height="863"></figure><h4>Recommended for:</h4><ul><li>Semivolatiles</li><li>Phenols</li><li>Amines</li><li>Residual solvents and solvent impurities</li><li>Drugs of abuse</li><li>Pesticides</li><li>PCB cogeners</li><li>Aroclor mixes</li></ul><h4>Similar to:</h4><ul><li>Rxi™-5ms</li><li>DB-5</li><li>HP-5</li><li>HP-5ms</li><li>Ultra-2</li><li>SPB-5</li><li>Equity-5</li><li>CP-Sil 8</li></ul>

Thermo Scientific TraceGOLD™ TG-5MS AMINE GC Columns

Thermo Scientific™ TraceGOLD TG-5MS AMINE GC Column enables analysis of ppm levels of amines without column priming.

Thermo Scientific™ TraceGOLD TG-5MS AMINE GC Column enables analysis of ppm levels of amines without column priming.<ul><li>Low polarity phase, 5% diphenyl/95% dimethyl polysiloxane</li><li>Tubing surface is chemically altered to reduce tailing of active basic compounds</li><li>Also allows analysis of neutral or weakly acidic compounds (e.g., phenols) and compounds susceptible to hydrogen bonding</li><li>Low bleed at maximum operating temperature</li></ul><figure class="image"><img style="aspect-ratio:1394/854;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_GC_kolona_Trace_GOLD_TG_5_MS_AMINE_GC_columns_0e35235e21/Pragolab-GC-kolona-TraceGOLD-TG-5MS-AMINE-GC-columns.jpg" alt="Thermo Scientific: TraceGOLD™ TG-5MS AMINE GC Columns" width="1394" height="854"></figure><h4>Recommended for:</h4><ul><li>Amines and other basic compounds, including alkylamines, diamines, triamines, ethanolamines</li><li>Nitrogen-containing heterocyclics</li></ul>

Thermo Scientific TraceGOLD™ TG-5SilMS GC Columns

Thermo Scientific™ TraceGOLD™ TG-5SilMS GC Columns incorporate phenyl groups in the polymer backbone for improved thermal stability, reduced bleed and reduced susceptibility to oxidation.

Thermo Scientific™ TraceGOLD™ TG-5SilMS GC Columns incorporate phenyl groups in the polymer backbone for improved thermal stability, reduced bleed and reduced susceptibility to oxidation.<ul><li>Low polarity, silarylene phase with selectivity comparable to 5% diphenyl/95% dimethyl polysiloxane</li><li>Designed for low bleed and outstanding inertness &nbsp;</li></ul><figure class="image"><img style="aspect-ratio:1330/809;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_GC_kolona_Trace_GOLD_TG_5_Sil_MS_GC_columns_6f0b7c025e/Pragolab-GC-kolona-TraceGOLD-TG-5SilMS-GC-columns.jpg" alt="Thermo Scientific: TraceGOLD™ TG-5SilMS GC Columns" width="1330" height="809"></figure><h4>Recommended for:</h4><ul><li>GC/MS applications using ion-trap systems</li><li>Polycyclic aromatics</li><li>Hydrocarbons including chlorinated hydrocarbons</li><li>Phthalates</li><li>Phenols</li><li>Amines</li><li>Organophosphates</li></ul><h4>Similar to:</h4><ul><li>DB-5MS</li><li>VF-5ms</li><li>CP-Sil 8 Low-Bleed/MS</li><li>Rxi-5Sil MS</li><li>BPX5, ZB-5ms</li><li>Optima-5MS</li><li>SLB-5</li></ul>

Thermo Scientific TraceGOLD™ TG-225MS GC Columns

Achieve higher thermal stability and increased efficiency using the Thermo Scientific™ TraceGOLD™ TG-225MS GC Columns.

Achieve higher thermal stability and increased efficiency using the Thermo ScientificTM TraceGOLDTM TG-225MS GC Columns.<h4>Engineered for Superior Performance</h4><ul><li>Polar phase, 50% cyano propylmethyl/50% phenylmethyl polysiloxane</li><li>Innovative deactivation process for siloxane to reduce tailing and improves efficiency over comparable columns</li><li>Equivalent to USP G7, G19 phases &nbsp;</li></ul><figure class="image"><img style="aspect-ratio:1331/817;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_GC_kolona_Trace_GOLD_TG_225_MS_GC_columns_3085e09816/Pragolab-GC-kolona-TraceGOLD-TG-225MS-GC-columns.jpg" alt="Thermo Scientific: TraceGOLD™ TG-225MS GC Columns" width="1331" height="817"></figure><h4>A Leap Forward in Column Performance with Low Bleed and Superior Inertness</h4><ul><li>This low-bleed, stable column produces consistent results, and the low baseline noise enables improved limits of detection with enhanced resolution of low-level analytes.</li><li>Minimizing column bleed extends column lifetime, leading to higher productivity.</li><li>Reducing column bleed increases reproducibility of the stationary phase over time, resulting in greater run-to-run and batch-to-batch reproducibility.</li><li>Superior inertness ensures excellent peak shape and sensitivity, especially for highly active or difficult-to-analyze compounds.</li></ul><h4>Recommended for:</h4><ul><li>Alditol acetates (sugars)</li><li>FAMEs</li><li>Alternative Uses:</li><li>Ketones</li></ul><h4>Similar to:</h4><ul><li>Rtx™-225</li><li>DB-225</li><li>HP-225</li><li>SPB™-225</li></ul>

Thermo Scientific™ ProSightPD Software

Perform comprehensive analysis of top-down proteomics data with Thermo Scientific™ ProSightPD™ software.

<div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3>Confident proteoform identification and characterization</h3></div></div><div container-id="cq-colctrl-lt8" comp-id="B2"><div>Uncover and confidently characterize proteoforms within complex matrices, including proteoforms containing truncations, alternative splices, and post-translationally modified proteins.&nbsp;Extensive searches make use of various fragmentation methodologies (e.g., ETD, HCD, UVPD), allowing you to make full use of the high-quality MS/MS data obtained when searching against the full biological complexity present in UniProt. With Thermo Scientific ProSightPD software, see what is really there and make the most of your data.<div><h3>Key benefits</h3><h5>Sophisticated tools at your fingertips</h5>Utilize several search modes for identifying intact and truncated proteins. ProSightPD software offers the ability to search entire raw files or quickly select specific MS2 scans for further searching. Information in UniProt enables the identification of modified or processed proteins.<h5>Remove the guesswork from database management</h5>Import result files from<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782"> Proteome Discoverer</a> software or entire proteomes via UniProt formatted XML and FASTA files with Database Manager. Fully customize imported databases using thr ProSight Annotator GUI to characterize PTMs, disulfide bonds, mutations and truncations.<h5>Intuitive user interface</h5>Analyze large datasets with many data files using ProSightPD nodes for <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782">Proteome Discoverer</a> software. Create multi-step searches and utilize built in results interpretation tools.<h3>Search Types</h3><div>Different database search modes allow you to optimize data interrogation based upon your experimental needs. Searches are driven through the use of a node-based system allowing flexibility of experimental design.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_8a96430534.jpeg" alt="Thermo Scientific™ ProSightPD Software: ProSightPD Database Searching." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_8a96430534.jpeg 245w," sizes="100vw" width="960" height="540"><div>Further information relating to the two search modes, Absolute Mass Search and Biomarker Search.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_2_01f6c31076.jpeg" alt="Thermo Scientific™ ProSightPD Software: Complementary Search Types: Digging Deeper in Complex Samples." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_2_01f6c31076.jpeg 245w," sizes="100vw" width="960" height="540"><h3>Database Management</h3><div>Confident proteoform identification is realized through the use of XML-formatted databases, ensuring that nothing is missed.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_3_db19f0cee9.jpeg" alt="Thermo Scientific™ ProSightPD Software: Database Manager: Add remove isoforms and PTMs." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_3_db19f0cee9.jpeg 245w," sizes="100vw" width="960" height="540"><div>Improvements to data visualization ensure that you can better interact with and interpret your data, minimizing the time taken to deliver actionable results.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_4_575aa9dff5.jpeg" alt="Thermo Scientific™ ProSightPD Software: LFQ Visualizations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_4_575aa9dff5.jpeg 245w," sizes="100vw" width="960" height="540"><h3>ProSightPD nodes</h3>Top-Down Workflows: ProSightPD&nbsp;includes templates to easily build the most commonly used-top down data analysis workflows.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_5_4f28a7434d.jpg" alt="Thermo Scientific™ ProSightPD Software: ProSightPD 2.0: Tailored Workflows for All Types of Data." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_5_4f28a7434d.jpg 245w," sizes="100vw" width="740" height="400"></div></div></div></div></div></div></div>

Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software

Transform your mass spectral data into knowledge quickly and easily using Thermo Scientific™ Mass Frontier™ spectral interpretation software. 

Transform your mass spectral data into knowledge quickly and easily using Thermo Scientific™ Mass Frontier™ spectral interpretation software. Take the challenge out of small molecule structural elucidation for metabolism, metabolomics, forensics, natural products, impurities, and degradants studies.High-quality, curated experimental spectral and fragmentation libraries simplify the deconvolution, evaluation, interpretation and management of infusion, and LC, nominal mass, or high resolution mass spectral data. Streamline building and curating your library and sharing it with your colleagues and collaborators. Mass Frontier software complements Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759">Compound Discoverer™</a> software for routine-based small molecule discovery and identification.<h3>See what's really there</h3><ul><li>Deconvolute your nominal mass or high resolution LC-MSn or infusion data.</li><li>Capture all of your data, no matter how complex, with simple interrogation of all components.</li></ul><h3>Know more unknowns</h3><ul><li>Transform your small molecule unknown data into actionable knowledge.</li><li>Search <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764">mzCloud™</a> mass spectral library, the world's most comprehensive and structurally diverse fully curated mass spectral database.</li><li>Maximize the utility of your MSn data for the confident identification of unknown with spectral tree searching.</li><li>Enhance your confidence in proposed unknown candidate structures by using Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762">mzLogic™</a> algorithm, based on similarity searching to millions of fragment annotated spectra.</li></ul><figure class="image"><img style="aspect-ratio:740/405;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_3_167df5dc63.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software: mzCloud mass spectral library." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_3_167df5dc63.jpg 245w," sizes="100vw" width="740" height="405"></figure><h3>Go from spectra to structure</h3><ul><li>The HighChem Fragmentation Library™ includes &gt;54,000 fragmentation schemes, ∼ 220,000 individual reactions, and 256,000 chemical structures, all from peer-reviewed literature.</li><li>Spectral trees are fully annotated with fragmentation structures.</li><li>FISh (fragment ion search) detection enables detection of structurally related compounds, indicating the site of transformations for drug metabolites.</li></ul><figure class="image"><img style="aspect-ratio:740/350;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_2_37f024ef32.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_2_37f024ef32.jpg 245w," sizes="100vw" width="740" height="350"></figure><h3>Build your pathways</h3><ul><li>Interactively search more than 370 curated biochemical pathways with Thermo Scientific™ Metabolika™ pathway mapping.</li><li>Create and understand fragmentation pathways and mechanisms using advanced fragmentation scheme knowledge base drawn from more than 99% of published fragmentation pathways.</li></ul><figure class="image"><img style="aspect-ratio:740/410;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_4_7d1b4f8671.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software: An example of an included Metabolika biological pathway, which can be fully edited and added to." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_4_7d1b4f8671.jpg 245w," sizes="100vw" width="740" height="410"></figure><h3>Store, share and utilize your knowledge</h3><ul><li>Translate your data into actionable knowledge: create, curate and store your own spectral libraries and pathways.</li><li>Ensure the highest quality proprietary libraries with full curation and mass recalibration tools.</li></ul><figure class="image"><img style="aspect-ratio:740/345;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_5_e89924a0b7.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software: The new curator module automates spectral tree curation, fragment annotation and mass recalibration for your proprietary compounds to build a high quality curated local MSn library." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_5_e89924a0b7.jpg 245w," sizes="100vw" width="740" height="345"></figure>

Products distributed by Thermo Fisher Scientific (EMEA) - page 24

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