<p><strong>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.</strong></p><p>This is where the <a target="_blank" rel="noopener noreferrer" href="https://acc.biodata.ceitec.cz/"><i><strong>Atomic Charge Calculator (ACC)</strong></i></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 <strong>CEITEC Masaryk University</strong> and the<strong> Faculty of Science at Masaryk University</strong>, in collaboration with the <strong>Faculty of Informatics at Masaryk University</strong> and <strong>Palacký University Olomouc</strong>.</p><p><strong>ACC III </strong>calculates the electric charges of individual atoms and visualises their distribution directly within three-dimensional molecular structures. It brings together <strong>twenty different calculation methods</strong> in a single environment and can work with a wide range of molecules – from small organic compounds to proteins and other large biomolecular structures.</p><p>A key advantage of <strong>Atomic Charge Calculator III</strong> is that it combines a broad range of computational methods with ease of access. Basic calculations can be performed directly in a web browser, <strong>with no need to install specialised software or register for an account</strong>. 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.</p><p><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"></p><h3><strong>Why are scientists interested in the electric charges of atoms?</strong></h3><p>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.</p><p>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.</p><p>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<strong> empirical methods </strong>that allow these calculations to be performed more quickly and on a large scale.</p><p><i>“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,”</i> says <a target="_blank" rel="noopener noreferrer" href="https://www.ceitec.eu/tomas-racek-ph-d/u94476?page=publication"><strong>Tomáš Raček</strong></a>, who has been developing and maintaining ACC since 2018.</p><h3><strong>How an antiviral drug binds to an influenza virus protein</strong></h3><p>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.</p><p><i>“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,”</i> explains Tomáš Raček.</p><p><strong>ACC III is not limited to small molecules</strong>. It can also work with proteins and other large biomolecular structures. The authors demonstrate this using a second example: the <strong>SARS-CoV-2 </strong>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.</p><h3><strong>From calculation straight to a 3D model</strong></h3><p>The new generation of the Atomic Charge Calculator also offers<strong> more advanced visualisation</strong>. 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<strong> cover of the special </strong><i><strong>Nucleic Acids Research</strong></i><strong> Web Server Issue</strong>. Created by Tomáš Raček, the cover image shows the distribution of partial charges in a membrane protein system.</p><p><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"></p><p>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.</p><p>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.</p><h3><strong>More than a decade of development</strong></h3><p>Scientists introduced the first Atomic Charge Calculator in <strong>2015</strong>, followed by its second generation in <strong>2020</strong>. 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.</p><p><i>“The Atomic Charge Calculator was never a one-off project,”</i> says <a target="_blank" rel="noopener noreferrer" href="https://www.ceitec.eu/prof-radka-svobodova-ph-d/u17518?page=publication"><strong>Radka Svobodová</strong></a>, Head of the Biological Data Management and Analysis Core Facility at CEITEC Masaryk University. <i>“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.”</i></p><blockquote><p><strong>Atomic Charge Calculator III is freely available through its web interface and does not require registration for basic use.</strong> Its development was supported by the<strong> ELIXIR CZ </strong>research infrastructure.</p></blockquote><h5><strong>The authors presented the new generation of the tool in </strong><a target="_blank" rel="noopener noreferrer" href="https://academic.oup.com/nar/article/54/W1/W211/8662890"><i><strong>Nucleic Acids Research</strong></i></a><strong>.</strong></h5>

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

<p><span><strong>Not every concentration job can tolerate heat — and not every concentrator that handles heat well can handle cold. </strong></span><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2441"><span><strong>Refrigerated centrifugal vacuum concentrators</strong></span></a><span><strong> 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 </strong></span><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2611"><span><strong>Thermo Fisher Refrigerated SpeedVac SRF110</strong></span></a><span><strong> — to see how they stack up for labs where sample preservation is non-negotiable.</strong></span></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://explore.organomation.com/labconco-refrigerated-centrivap-vs-thermo-fisher-refrigerated-speedvac"><span><strong>Download the full comparison with pricing here!</strong></span></a></p></blockquote><h3><strong>The Problem Refrigeration Actually Solves</strong></h3><p>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"><strong> vacuum concentrator </strong></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.</p><h3><strong>Price: A Wider Gap at the High End</strong></h3><p>The <strong>Labconco Refrigerated CentriVap</strong> is typically priced around <strong>$13,000 USD</strong>. The <strong>Thermo Fisher SRF110</strong> runs higher, generally<strong> $15,000–$17,000 USD</strong>, 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.</p><h3><strong>Capacity: The Difference That Matters Most Right Now</strong></h3><p>This is where the two systems really separate, and it lines up with where lab demand is heading. The Refrigerated CentriVap processes up to <strong>312 samples</strong> per run; the SRF110 tops out at <strong>132</strong>. 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.</p><p>That gap matters because<a target="_blank" rel="noopener noreferrer" href="https://peptidestaff.com/industry-trends/peptide-therapy-market-forecast-2026/"><strong> peptide-based therapeutics </strong></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"><strong>GLP-1 programs</strong></a> in particular are pushing <a target="_blank" rel="noopener noreferrer" href="https://www.bachem.com/knowledge-center/glp-1-demand-for-peptide-manufacturers/"><span><strong>peptide manufacturers</strong></span></a><span> </span>toward industrialized, large-scale production platforms rather than one-off batch work. <a target="_blank" rel="noopener noreferrer" href="https://www.organomation.com/"><strong>Sample prep equipment</strong></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.</p><h3><strong>Temperature Range: How Cold You Can Go</strong></h3><p>The CentriVap's refrigeration reaches as low as<strong> -10°C</strong>; the SRF110 bottoms out at <strong>-4°C</strong>. 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.</p><h3><strong>Vortex Speed and Mechanical Flexibility</strong></h3><p>The CentriVap offers an adjustable vortex range from <strong>500 to 1,800 rpm</strong>, while the SRF110 runs up to<strong> 1,725 rpm</strong>. 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.</p><h3><strong>Lid Material: Visibility vs. Durability</strong></h3><p>The Refrigerated CentriVap uses a <strong>glass lid</strong>, letting operators see into the chamber during a run. The SRF110 uses an <strong>epoxy-coated aluminum lid</strong>, 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.</p><h3><strong>What This Means for Core Facilities</strong></h3><p>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"><strong> core running samples from multiple research groups </strong></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.</p><h3><strong>Built for the Same Footprint</strong></h3><p>Both units are sized for fume hood placement, with the CentriVap measuring<strong> 15.0 x 27.2 x 13.9 inches </strong>against the SRF110's<strong> 16.62 x 25 x 13.75 inches </strong>— close enough that floor planning isn't a deciding factor either way. Both carry <strong>standard one-year warranties</strong>.</p><h3><strong>The Bottom Line</strong></h3><p>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.</p><p>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;</p><blockquote><h5><a target="_blank" rel="noopener noreferrer" href="https://explore.organomation.com/labconco-refrigerated-centrivap-vs-thermo-fisher-refrigerated-speedvac"><span><strong>Download the full comparison with pricing here!</strong></span></a></h5></blockquote>

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

<p><strong>What if you could assess a tumor's metastatic potential — without extensive sample prep — directly from tissue? Rachel Wood is working on exactly that.</strong></p><p><strong>Rachel Wood</strong> 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.</p><p>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;<br>profiles.</p><h5><strong>In this episode, David and Rachel cover:</strong></h5><ul><li>Why <strong>ccRCC</strong> is such a resistant biomarker problem despite active genomic, proteomic, and metabolomic research</li><li>The clinical stakes of "<strong>diagnosed by accident</strong>" — 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><strong>LMJ-SSP vs. DESI</strong>: 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><strong>Video Transcription</strong></h3><p><strong>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 </strong><i><strong>Concentrating on Chromatography</strong></i><strong>, 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.</strong></p><h4><strong>Returning to the research question that started it all</strong></h4><p>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.</p><p>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 <strong>Queen’s University in Kingston, Ontario</strong>, in an interdisciplinary environment spanning chemistry, pathology, molecular medicine, computer science, and clinical research.</p><h4><strong>Why clear cell renal cell carcinoma is such a difficult biomarker problem</strong></h4><p>Wood’s research focuses on <strong>clear cell renal cell carcinoma (ccRCC)</strong>, which represents the majority of kidney cancer cases discussed in the interview.</p><p>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.</p><p>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.</p><h4><strong>From incidental diagnosis to prognostic information</strong></h4><p>Another difficulty is the way kidney cancer is often discovered.</p><p>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.</p><p>That places additional importance on <strong>prognostic biomarkers</strong>. 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.</p><p>Wood’s current work is therefore not attempting to declare directly that a particular patient has metastatic disease. Instead, the goal is to understand <strong>what changes biologically as a tumor moves from a less aggressive to a more aggressive state</strong>.</p><p>That means asking which molecular pathways change, which mechanisms become altered, and which analytes may eventually provide useful indicators of tumor behavior.</p><h4><strong>AIMS and LC-MS answer different questions</strong></h4><p>A central theme of the interview was the relationship between rapid ambient ionization mass spectrometry and conventional LC-MS.</p><p>Wood is clear that <strong>AIMS is not intended to replace LC-MS</strong>. Instead, she sees the two approaches as complementary.</p><p>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.</p><p>LC-MS then becomes valuable when those features need to be separated, characterized more carefully, and quantified with greater confidence.</p><p>In Wood’s workflow, rapid MS screening can therefore help identify which analytes deserve closer attention before more targeted LC-MS investigations are performed.</p><h4><strong>What “minimal sample preparation” actually means</strong></h4><p>The amount of sample preparation required depends strongly on the type of material being analyzed.</p><p>Wood currently works mainly with <strong>cultured human cell lines</strong>, 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 <strong>LMJ-SSP</strong> or <strong>DESI</strong>.</p><p>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.</p><p>The practical meaning of “minimal preparation” is therefore highly dependent on the sample and the analytical question being asked.</p><h4><strong>Why combine LMJ-SSP and DESI?</strong></h4><p>Rather than choosing between LMJ-SSP and DESI, Wood uses the two approaches because they provide different types of information.</p><p><strong>LMJ-SSP</strong> offers rapid, localized analysis and can accommodate samples with uneven surface topography, which is particularly useful for excised tissue.</p><p><strong>DESI</strong>, 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.</p><p>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.</p><p>Combining both techniques therefore enables researchers to balance speed, surface compatibility, and spatial information.</p><h4><strong>Two mass analyzers for two parts of the same problem</strong></h4><p>Wood also uses two different mass spectrometers in her LMJ-SSP work.</p><p>Most of the discovery work is carried out using a <strong>triple quadrupole mass spectrometer</strong>, particularly because her project focuses strongly on lower-mass analytes and small molecules.</p><p>Once statistically important analytes have been identified, a <strong>Q-TOF</strong> instrument can be used for MS/MS experiments and tentative structural identification.</p><p>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.</p><h4><strong>Turning a 3D printer into an automated sampling platform</strong></h4><p>One of the most unusual elements of the project is the automated sampling system used with LMJ-SSP.</p><p>Historically, LMJ-SSP measurements could be performed manually or with custom-built XYZ positioning stages. Wood’s laboratory instead adapted a <strong>3D printer</strong> into an automated positioning system.</p><p>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 <strong>50 µm</strong> and also controls parameters such as the contact time between the probe and sample and the delay between consecutive sampling events.</p><p>This level of automation improves reproducibility because variables that would otherwise depend on manual operation can be controlled systematically.</p><p>Even the Z-position can be programmed, allowing the probe to operate at constant or varying heights depending on the sample surface.</p><h4><strong>Managing high-dimensional MS data</strong></h4><p>The experimental design creates a large data-analysis challenge.</p><p>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.</p><p>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.</p><p>The data processing pipeline includes steps such as:</p><ul><li>binning,</li><li>normalization,</li><li>transformation,</li><li>dimensionality reduction,</li><li>identification of discriminating molecular features.</li></ul><p>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.</p><h4><strong>Unsupervised machine learning reveals distinct molecular profiles</strong></h4><p>Machine learning is particularly valuable because the AIMS datasets are highly dimensional, containing very large numbers of molecular features across multiple samples.</p><p>Wood’s initial analysis has included <strong>principal component analysis (PCA)</strong>, an unsupervised dimensionality-reduction technique.</p><p>The early results are encouraging: the non-metastatic and metastatic cell-line models separate clearly in PCA space.</p><p>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.</p><p>This provides an important foundation for identifying which specific metabolites or molecular pathways may be responsible for the separation.</p><h4><strong>Testing LMJ-SSP for metastatic status</strong></h4><p>A particularly novel aspect of Wood’s project is the use of LMJ-SSP to investigate differences associated with metastatic status.</p><p>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.</p><p>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.</p><p>For Wood, this made the methodological risk worthwhile: the analytical challenge directly addresses an area where better prognostic information could ultimately have clinical value.</p><h4><strong>A long-term goal: rapid MS-based prognostic testing</strong></h4><p>The long-term vision extends beyond cell-line research.</p><p>Wood is interested in whether rapid, minimally invasive mass spectrometry could eventually contribute to clinical decision-making.</p><p>One possibility would be identifying a diagnostic biomarker in a <strong>liquid biopsy</strong>, potentially using blood or urine. A urine-based marker capable of contributing to earlier detection would be particularly attractive for kidney cancer.</p><p>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.</p><p>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.</p><h4><strong>Why interdisciplinary work matters</strong></h4><p>Throughout the interview, Wood repeatedly returns to the importance of collaboration.</p><p>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.</p><p>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.</p><p>For Wood, the biological context has also changed how she thinks about analytical chemistry. Developing a new instrument or method is important, but understanding <strong>who may ultimately benefit from that analytical capability</strong> makes the research more meaningful.</p><p>That patient-centered perspective is now an integral part of how she approaches the project.</p><h4><strong>An intersection full of opportunities</strong></h4><p>Wood describes the interface between analytical chemistry and oncology as an especially exciting area for young researchers.</p><p>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.</p><p>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.</p><p>And in kidney cancer, where reliable prognostic biomarkers remain difficult to establish, that integrated approach may be particularly valuable.</p><blockquote><p><strong>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.</strong></p></blockquote><blockquote><h4><strong>Concentrating on Chromatography Podcast</strong></h4><p>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!</p><p>You can find <strong>Concentrating on Chromatography Podcast </strong>in podcast apps:</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://open.spotify.com/show/1wZg67rCjoGju4yhqxI3tL"><strong>Spotify</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podcasts.apple.com/tz/podcast/concentrating-on-chromatography/id1788429185"><strong>Apple podcast</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podscan.fm/podcasts/concentrating-on-chromatography"><strong>podscan</strong></a></li></ul><p>and on <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/@ChromatographyTalk/videos"><strong>YouTube channel</strong></a></p></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.

CEITEC

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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Waters Xevo G2-XS QTof Quadrupole Time-of-Flight Mass Spectrometry

The Xevo® G2-XS QTof combines StepWaveTM ion optics with the XS Collision Cell, providing a significant increase in sensitivity with no reduction in selectivity.

<h4><strong>eXtreme Sensitivity, eXtraordinary Selectivity, eXceptional Solutions</strong></h4><div><p><strong>For the scientist who needs to identify, quantify and confirm the broadest range of compounds in the most complex and challenging samples.</strong></p><ul><li>Maximum robustness with no compromise in performance</li><li>Class-leading real-world quantitative sensitivity</li><li>Highest quality, most comprehensive qualitative information</li><li>Flexibility to adapt to changing needs</li><li>Accessible to experts and non-experts alike</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_G2_XS_Q_Tof_Quadrupole_Time_of_Flight_Mass_Spectrometry_1_b9f8dd32be/Waters-Xevo-G2-XS-QTof-Quadrupole-Time-of-Flight-Mass-Spectrometry-1.jpg" alt="Waters Xevo G2-XS QTof Quadrupole Time-of-Flight Mass Spectrometry." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_G2_XS_Q_Tof_Quadrupole_Time_of_Flight_Mass_Spectrometry_1_b9f8dd32be/thumbnail_Waters-Xevo-G2-XS-QTof-Quadrupole-Time-of-Flight-Mass-Spectrometry-1.jpg 173w," sizes="100vw" width="1099" height="991"></p><h3><strong>Overview</strong></h3><div><h4><strong>Maximum robustness with no compromise in performance</strong></h4><p>The trend for increasing complexity of both samples and studies can result in difficulty obtaining high quality data for every component of interest while maintaining optimum performance throughout the analysis.</p><p>The <strong>Xevo® G2-XS QTof</strong> combines <strong>StepWave<sup>TM</sup> ion optics</strong> with the <strong>XS Collision Cell</strong>, providing a significant increase in sensitivity with no reduction in selectivity.&nbsp; During long analyses, critical hardware components stay clean for longer, so results are more reproducible and the laboratory stays productive.</p><p>Meaningful information is obtained for a greater number of components across a larger population of samples than ever before, giving a more complete picture for improved understanding and more confident decision making.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_G2_XS_Q_Tof_Quadrupole_Time_of_Flight_Mass_Spectrometry_437f84bacd.jpg" alt="Waters Xevo G2-XS QTof Quadrupole Time-of-Flight Mass Spectrometry: Maximum robustness with no compromise in performance." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_G2_XS_Q_Tof_Quadrupole_Time_of_Flight_Mass_Spectrometry_437f84bacd.jpg 224w," sizes="100vw" width="900" height="628"></p><div><h4><strong>Class-leading real-world quantitative sensitivity</strong></h4><p>In targeted quantitative analysis, the greatest challenge is to detect and quantify components of interest down to the lowest possible levels, often in the presence of interferences from complex matrix.&nbsp; Large variation in the concentrations of different components further adds to this challenge.</p><p>The <strong>Xevo G2-XS QTof</strong> combines sensitivity and selectivity with the mass accuracy, dynamic range and speed provided by <strong>QuanTofTM technology</strong> and the enhanced quantitative capability of <strong>Tof-MRM data acquisition</strong>.&nbsp; The end result is class-leading quantitative performance in real everyday laboratory conditions, demonstrated by limits of detection and quantification superior to anything achieved before with high resolution MS.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_G2_XS_Q_Tof_Quadrupole_Time_of_Flight_Mass_Spectrometry_2_d805c7aa49.jpg" alt="Waters Xevo G2-XS QTof Quadrupole Time-of-Flight Mass Spectrometry: Class-leading real-world quantitative sensitivity." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_G2_XS_Q_Tof_Quadrupole_Time_of_Flight_Mass_Spectrometry_2_d805c7aa49.jpg 245w," sizes="100vw" width="900" height="312"></p><div><h4><strong>Highest quality, most comprehensive qualitative information</strong></h4><p>In addition to accurate quantitative profiles, complete understanding of a sample requires detailed and comprehensive qualitative information.</p><p><strong>MS<sup>E</sup></strong> is a simple but powerful approach that delivers accurate mass precursor and fragment ion data for every detectable component, whether chromatographically resolved or not.&nbsp; This represents the ultimate in qualitative information, and because the approach is un-targeted, the data can be interrogated again later as scientific questions evolve.</p><p><strong>FastDDA</strong> is an automated, targeted data acquisition method that provides rapid, intelligent accurate mass MS/MS capability for confirmation of known compounds or characterization of unknowns, for situations where only true MS/MS data will suffice.</p><h4><strong>Flexibility to adapt to changing needs</strong></h4><div><p>The growing emphasis on efficiency and productivity in the laboratory demands analytical systems that are not only robust and reliable, but that also have the flexibility to accomplish a wide variety of tasks today, with future-proofing for the innovations of tomorrow.&nbsp;</p><p><strong>Waters’ Universal Ion Source Architecture</strong> enables the use of a single analytical platform for many different applications and molecule types, as well as providing the option to add new functionality as requirements and priorities change.&nbsp; All source options are designed to be quickly interchangeable and ready to use within minutes, maximizing versatility and minimizing downtime.</p><div><h3><strong>Accessible to experts and non-experts alike</strong></h3><p>Traditionally the ability to achieve and maintain optimum performance from such a powerful analytical system would require a level of knowledge and experience held only by expert users.</p><p>The <strong>Xevo G2-XS QTof</strong> features <strong>IntelliStartTM technology</strong>, an intuitive user interface that automates routine tasks and ensures reproducible data of the highest quality, ensuring the full capability of the system is accessible to all.</p><p><strong>IntelliStart enables essential functions to be carried out automatically:</strong></p><ul><li>MS resolution and calibration checks</li><li>Simple setup of diverse experiments</li><li>Scheduled LC-MS system checks</li><li>Continuous system monitoring</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_G2_XS_Q_Tof_Quadrupole_Time_of_Flight_Mass_Spectrometry_3_279cf35277.jpg" alt="Waters Xevo G2-XS QTof Quadrupole Time-of-Flight Mass Spectrometry: Accessible to experts and non-experts alike." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_G2_XS_Q_Tof_Quadrupole_Time_of_Flight_Mass_Spectrometry_3_279cf35277.jpg 136w," sizes="100vw" width="900" height="1038"></p></div></div></div></div></div></div>

Waters Xevo TQ-XS Triple Quadrupole Mass Spectrometer

Expanding your analytical capabilities with the next step in detection, the Xevo TQ-XS offers superior performance for your routine quantitative workflows.

<h4><strong>Superior performance in your routine quantitative analyses</strong></h4><p><strong>Expanding your analytical capabilities with the next step in detection, the Xevo TQ-XS offers superior performance for your routine quantitative workflows. &nbsp;With solutions for today’s needs and technologies to overcome tomorrow’s challenges, explore what the adaptable, flexible, and proven Xevo TQ-XS Tandem Quadrupole Mass Spectrometer coupled with ACQUITY UPLC can afford your laboratory’s productivity and capabilities. &nbsp;</strong></p><div><div><div><div><ul><li><strong>Expanding your efficiencies</strong>: Maximize your laboratory’s potential in high sensitivity quantitative analysis by extending your capabilities, confidently and productively</li><li><strong>Performance that’s proven</strong>: Trust the proven Xevo TQ-XS to meet the analytical demands of your challenging applications , injection after injection</li><li><strong>Digesting your data</strong>: Reduce the burden in data handling with flexible and adaptable software solutions to meet your application and quality system needs</li><li><strong>Supporting your success</strong>: Have confidence that you will exceed your analytical requirements using Waters end to end solutions with flexible service and application focused training and support</li></ul></div></div><div><div><h5><strong>Recommended Use</strong></h5><p>Quantitative analysis where <strong>high sensitivity instrument performance</strong> is required (e.g.,&nbsp;to reach <strong>low level concentrations (ppt)</strong>).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_TQ_XS_Triple_Quadrupole_Mass_Spectrometer_5e2d4a8690.jpg" alt="Waters Xevo TQ-XS Triple Quadrupole Mass Spectrometer: The Xevo TQ-XS System." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_TQ_XS_Triple_Quadrupole_Mass_Spectrometer_5e2d4a8690.jpg 245w," sizes="100vw" width="1024" height="545"></p><div><div><h3><strong>Expand your analytical capabilities with enhanced sensitivity</strong></h3><p>Delivering the next step in reliable sensitivity, the <strong>Xevo TQ-XS</strong> enables your laboratory to expand your analytical capacity and productivity. Whether seeking more sensitivity to detect your analytes routinely, looking to extend your scope of analytes with increased confidence or revise your workflow to reduce time and costs, explore what <strong>Xevo TQ-XS</strong>, coupled with <strong>ACQUITY UPLC</strong> and <strong>ACQUITY Premier Systems</strong> can offer your lab.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_TQ_XS_Triple_Quadrupole_Mass_Spectrometer_2_53f3f2443c.jpg" alt="Waters Xevo TQ-XS Triple Quadrupole Mass Spectrometer: Vancomycin: Xevo TQ-XS versus Xevo TQ-S. On average, the analyte area counts on Xevo TQ-XS were >10x higher than area counts on Xevo TQ-S for Vancomycin." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_TQ_XS_Triple_Quadrupole_Mass_Spectrometer_2_53f3f2443c.jpg 245w," sizes="100vw" width="1024" height="295"></p></div></div><div><div><h3><strong>Proven performance you can trust for your challenging analyses</strong></h3><p>Whether looking to streamline your methods or advance your laboratory’s performance, explore how <strong>Xevo TQ-XS</strong>, coupled with <strong>LC (UPLC), GC (APGC) or SFC (UPC2)</strong> can benefit your challenging applications. Trust the proven <strong>Xevo TQ-XS</strong> to meet your <strong>analytical demands</strong>, injection after injection.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_TQ_XS_Triple_Quadrupole_Mass_Spectrometer_3_fdd2e3d239.jpg" alt="Waters Xevo TQ-XS Triple Quadrupole Mass Spectrometer: Representative liraglutide LLOQ (0.5 ng/mL) chromatogram, extracted from plasma, demonstrating sensitivity and selectivity with Xevo TQ-XS." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_TQ_XS_Triple_Quadrupole_Mass_Spectrometer_3_fdd2e3d239.jpg 245w," sizes="100vw" width="1024" height="536"></p></div></div><div><div><h3><strong>Software solutions to overcome a common bottleneck</strong></h3><p>While quantitation of targeted analytes can be a routine experiment, the volume of data acquired and generated for processing, review and management can be significant. <strong>Waters</strong>’ informatics platforms offer extensive toolsets to support efficient and compliant <strong>data handling</strong> to support your <strong>21 CFR 11 and ISO 17025</strong> environments.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_TQ_XS_Triple_Quadrupole_Mass_Spectrometer_4_a3e46ecd44.jpg" alt="Waters Xevo TQ-XS Triple Quadrupole Mass Spectrometer: With the Xevo TQ-XS System, you’ll get robust results you can trust with the most demanding sample matrices." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_TQ_XS_Triple_Quadrupole_Mass_Spectrometer_4_a3e46ecd44.jpg 234w," sizes="100vw" width="1024" height="683"></p></div></div><div><div><h3><strong>Accelerating your success with award winning service</strong></h3><p>Ensure your laboratory runs efficiently and is ready to address the opportunities of tomorrow with Waters comprehensive analytical solutions with expert training (<a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/nextgen/global/services/instrument-services.html"><strong>APS</strong></a>) and flexible and cost-effective solutions to advance your business with system service <strong>(</strong><a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/nextgen/global/services/instrument-services/flexchoice-instrument-service-coverage.html"><strong>FlexCHOICE</strong></a>), trade-ins and technological upgrades (<a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/waters/FlexUP-Technology-Renewal-Program-%7C-Upgrade-Lab-Instruments/nav.htm?cid=135071972"><strong>FlexUP</strong></a>).</p></div></div></div></div></div></div>

Waters SELECT SERIES Cyclic IMS

The SELECT SERIES Cyclic IMS combines novel cyclic ion mobility separation with state-of-the-art, high performance, time-of-flight mass spectrometry.

<div><div id="title-c6692d35e8" data-locator="title-with-text"><h3><strong>Endless possibilities. Limitless research.</strong></h3></div></div><div><div id="text-ba9d3d94da" data-locator="text"><p><strong>Developed through focused collaboration, the SELECT SERIES Cyclic IMS combines novel cyclic ion mobility separation with state-of-the-art, high performance, time-of-flight mass spectrometry, enabling leading researchers to unlock the potential in scientific discovery.</strong></p><p>The SELECT SERIES Cyclic IMS enables selection of ions by both mass and mobility, a unique functionality of <strong>Cyclic Ion Mobility (cIM)</strong> that provides unparalleled flexibility and capabilities for research studies in both academia and industry. With ion mobility and mass spectrometry, you can separate by shape as well as&nbsp;<i>m/z</i>&nbsp;for separation of isomers, measure the <strong>Collisional Cross Section (CCS)</strong> of an ion, and achieve significantly cleaner mass spectral data.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_SELECT_SERIES_Cyclic_IMS_Novel_Cyclic_Ion_Mobility_c_IM_Technology_13abf6dd9b.jpg" alt="Waters SELECT SERIES Cyclic IMS: Novel Cyclic Ion Mobility (cIM) Technology." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_SELECT_SERIES_Cyclic_IMS_Novel_Cyclic_Ion_Mobility_c_IM_Technology_13abf6dd9b.jpg 234w," sizes="100vw" width="1024" height="682"></p><h3><strong>Overview</strong></h3><div data-locator="section-container-body"><div><div><div data-locator="layoutcontainer-"><div><div id="text-26eab4b89b" data-locator="text"><ul><li>Combine <strong>cyclic ion mobility (cIM) separation</strong> with <strong>ToF mass spectrometry</strong></li><li>Separate more than ever before with ultimate ion mobility resolution for complete confidence</li><li>Perform <strong>unique IMS<sup>n</sup> experiments</strong> for increased selectivity and advanced characterization</li><li>Enable <strong>pre-mobility mass selection</strong> and <strong>mobility selection of precursor and product ions</strong></li><li>Achieve increased experimental flexibility for solving complex problems with three distinct fragmentation regions</li></ul></div></div><div><div id="text-36ff553b5f" data-locator="text"><h3><strong>Recommended Use</strong></h3><p>For identifying and rapidly monitoring co-eluting, isomeric metabolites in chemical reactions</p><blockquote><p class="cke-user_style-important"><strong>Video: </strong><a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/watch?v=nauwVH0L91o"><strong>Waters SELECT SERIES Cyclic IMS</strong></a></p></blockquote><div><div id="text-8469d7776e" data-locator="text"><h3 data-locator="modal-title"><strong>Discover more with ultimate ion mobility resolution</strong></h3><p>The instrument design and control software enable a range of experiments, including acquisition of Tof data, Single pass ion mobility, and the ability to scale mobility resolution to match the complexity of a sample. Ion mobility resolution increases with the length of the mobility device and therefore with the number of passes.</p><figure class="image"><img style="aspect-ratio:1024/682;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_SELECT_SERIES_Cyclic_IMS_IMS_resolution_increases_with_the_number_of_passes_around_the_c_IM_device_121719dbe0.jpg" alt="Waters SELECT SERIES Cyclic IMS: IMS resolution increases with the number of passes around the cIM device. Demonstrated here by the separation of reverse sequence peptides SDGRG and GRGDS. The Arrival Time Distributions (ATDs) obtained after 100 passes around the device are inset." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_SELECT_SERIES_Cyclic_IMS_IMS_resolution_increases_with_the_number_of_passes_around_the_c_IM_device_121719dbe0.jpg 234w," sizes="100vw" width="1024" height="682"></figure><div><div id="text-bb2fb9f91c" data-locator="text"><h3 data-locator="modal-title"><strong>Unlock the potential in scientific discovery</strong></h3><p>The unique instrument design of the SELECT SERIES Cyclic IMS&nbsp;facilitates advanced ion mobility experiments like IMS<sup>n</sup>&nbsp;isolation. IMS<sup>n</sup>&nbsp;isolation&nbsp;extends the resolution of a specific mobility range,&nbsp;<i>e.g.,</i>&nbsp;ions of a specific species. Eject ions (without acquisition) outside of the desired mobility range, leaving the remaining species in the cIM to continue the separation process. This “trimming” approach can be undertaken numerous times and can be used, for example, to increase specificity of the selected ions or to prevent “wrap-around” in the cIM where high mobility ions catch up with low mobility ions in multi-pass experiments. Multiple cyclic sequences of different numbers of passes can be defined in one, multi-pass LC-MS method, increasing productivity by reducing the need for multiple injections of the same sample.</p></div></div><figure class="image"><img style="aspect-ratio:1024/578;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_SELECT_SERIES_Cyclic_IMS_Investigation_into_acyl_glucuronides_via_infusion_f3bf2c67e2.jpg" alt="Waters SELECT SERIES Cyclic IMS: Investigation into acyl glucuronides via infusion. Slicing enables further IMS separation of target metabolite (blue region) of interest and other ions can be ejected. Increasing the IMS resolution reveals an additional 4-O acyl. In collaboration with Imperial College London – Ian D. Wilson." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_SELECT_SERIES_Cyclic_IMS_Investigation_into_acyl_glucuronides_via_infusion_f3bf2c67e2.jpg 245w," sizes="100vw" width="1024" height="578"></figure><div><div id="text-78a4dc4d5e" data-locator="text"><h3 data-locator="modal-title"><strong>Undertake advanced structural characterization</strong></h3><p><strong>IMS<sup>n</sup>&nbsp;activation</strong>&nbsp;is ideal for <strong>advanced structural characterization</strong>. During mobility separation, excise a segment of the mobility separated species and send the ions to the pre array storage device. Unwanted ions are ejected, and the stored ions are then re-injected into the array under collision induced activation/dis-sociation conditions, as required, and subsequent mobility separation performed. The product ions can then be sent to the&nbsp;Tof<i>&nbsp;</i>for detection or can undergo further rounds of mobility selection providing the unique IMS<sup>n</sup>&nbsp;capability.</p></div></div><div><div id="text-079d02ceb8" data-locator="text"><h3 data-locator="modal-title"><strong>Imaging mass spectrometry with DESI XS and Cyclic IMS</strong></h3><p>The unique combination of&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?instrumentationItems=26&amp;mainauthorItems=5&amp;search=DESI+XS"><strong>DESI XS</strong></a><strong>&nbsp;</strong>with SELECT SERIES Cyclic IMS provides ultimate levels of specificity for <strong>MS imaging</strong> approaches. DESI XS produces a visual map of the spatial distribution of a wide range of analytes, for example small molecule drugs, metabolites, and lipids across the surface of a tissue sample, and the unique capabilities and modes of acquisition of Cyclic IMS enable comprehensive in-depth experiments to be performed.</p></div></div><div><div id="text-673d117887" data-locator="text"><h3 data-locator="modal-title"><strong>Increased sensitivity provides confidence in what you find</strong></h3><p>To complement the novel <strong>Cyclic Ion Mobility</strong> capability and for complete confidence in your data, the&nbsp;SELECT SERIES&nbsp;Cyclic IMS is equipped with the latest <strong>ToF technology</strong>. The XS transfer device maintains the fidelity of the ion mobility separation while simultaneously conditioning the ion beam for the absolute best time-of-flight performance. The new offset oa-Tof with dual gain detection system <strong>provides improved sensitivity, resolution &gt;100,000 (FWHM), reliable accurate exact mass measurements</strong> (low ppm), and <strong>improved dynamic range</strong>.</p><figure class="image"><img style="aspect-ratio:1024/682;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mass_spectrum_highlighting_resolution_of_100_000_FWHM_on_the_7_charge_state_of_monomeric_9ff8f53204.jpg" alt="Waters SELECT SERIES Cyclic IMS: Mass spectrum highlighting resolution of >100,000 (FWHM) on the 7+ charge state of monomeric." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mass_spectrum_highlighting_resolution_of_100_000_FWHM_on_the_7_charge_state_of_monomeric_9ff8f53204.jpg 234w," sizes="100vw" width="1024" height="682"></figure></div></div></div></div></div></div></div></div></div></div></div></div>

Waters Xevo TQ-S micro Triple Quadrupole Mass Spectrometry

From the inherently robust Xevo family, the Xevo TQ-S micro tandem quadrupole mass spectrometer provides superior performance per square inch and exceptional analytical flexibility.

<h3><strong>Defining Compact Performance</strong></h3><ul><li><strong>Robust Sensitivity Beyond Expectations</strong></li></ul><p><strong>From the inherently robust Xevo family, the Xevo TQ-S micro tandem quadrupole mass spectrometer provides superior performance per square inch and exceptional analytical flexibility.</strong></p><h4><strong>Reliable performance</strong></h4><p>Achieve your objectives in full with operational performance you can rely on. A Xevo TQ-S micro study analyzing mycotoxins in wheat flour (a complex matrix that can contaminate LC/MS instrumentation) showed consistent performance over 5 days of continuous use with 1000 injections and only 5-9% relative standard deviation (RSD) for peak areas.</p><h4><strong>Maximizing uptime</strong></h4><p>Get the most from your instrument and avoid time-consuming repair visits. Customers using the Xevo TQ-S micro will on average not need an unplanned service visit during the warranty period and for 3 years after.<strong>*</strong>&nbsp;</p><p><strong>*</strong>Source Waters internal service data on unplanned service visits for Xevo TQ-S micro issues that occur globally. Note that warranty period used is 1 year and planned visits for regular scheduled Performance Maintenance are recommended to ensure trouble-free operation</p><h4><strong>Achieve more with less</strong></h4><ul data-spread="false"><li>The Xevo TQ-S micro is 2-3X narrower than other instruments in its class, reducing laboratory space overhead costs.</li><li>Use of the Xevo TQ-S micro provides up to 34% lower electricity power consumption and associated heat production than other instruments in its class.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_TQ_S_micro_Triple_Quadrupole_Mass_Spectrometry_With_benchspace_at_a_premium_choose_an_instrument_designed_to_maximize_performance_per_square_inch_15dba17d1b.jpg" alt="Waters Xevo TQ-S micro Triple Quadrupole Mass Spectrometry: With benchspace at a premium, choose an instrument designed to maximize performance per square inch." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_TQ_S_micro_Triple_Quadrupole_Mass_Spectrometry_With_benchspace_at_a_premium_choose_an_instrument_designed_to_maximize_performance_per_square_inch_15dba17d1b.jpg 245w," sizes="100vw" width="1024" height="300"></p><h4><strong>Flexibility to meet your analytical needs&nbsp;</strong></h4><p>With the most commonly used atmospheric pressure ionization source of ESI as standard, simply change chromatographic inlet or ionization source to extend your analytical capacity and meet changing demands.</p><h3><strong>Reliable Performance</strong></h3><h4><strong>Keeping Variability to a Minimum</strong></h4><p>Be confident that you will have reliable data over multi-day studies. Two experiments using the Xevo TQ-S micro provide evidence for the longer-term stability of this instrument. By monitoring peak areas whilst running continuous injections, you can see that the Xevo TQ-S micro won’t let you down.</p><p><strong>Experiment 1</strong> – 4 mycotoxins in wheat flour showed consistent performance over 5 days of continuous use with 1,000 injections and only 5-9% RSD for peak areas.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_TQ_S_micro_Triple_Quadrupole_Mass_Spectrometry_Experiment_1_showing_data_for_mycotoxins_in_wheat_flour_ad4c8cbe77.jpg" alt="Waters Xevo TQ-S micro Triple Quadrupole Mass Spectrometry: Experiment 1 showing data for mycotoxins in wheat flour." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_TQ_S_micro_Triple_Quadrupole_Mass_Spectrometry_Experiment_1_showing_data_for_mycotoxins_in_wheat_flour_ad4c8cbe77.jpg 245w," sizes="100vw" width="1221" height="647"></p><p><strong>Experiment 2</strong> – Acetaminophen in protein precipitated plasma also showed consistent performance over 6 ½ days of continuous use with 2,400 injections and only 4% RSD for peak areas.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_TQ_S_micro_Triple_Quadrupole_Mass_Spectrometry_Experiment_2_Acetominophen_in_protein_precipitated_plasma_0e5b14e7ac.jpg" alt="Waters Xevo TQ-S micro Triple Quadrupole Mass Spectrometry: Experiment 2 - Acetominophen in protein precipitated plasma." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_TQ_S_micro_Triple_Quadrupole_Mass_Spectrometry_Experiment_2_Acetominophen_in_protein_precipitated_plasma_0e5b14e7ac.jpg 245w," sizes="100vw" width="1220" height="649"></p><p><strong>Less than 1%</strong> of Waters tandem quadrupole mass spectrometers require a detector replacement on an annual basis.<strong>*</strong></p><p><strong>*</strong>Source: Waters internal data on the service history of its tandem quadrupole mass spectrometers launched between 2006 and 2022.</p><h3><strong>Improving Efficiency</strong></h3><h4><strong>Lower Operational Costs and Improved Sustainability</strong></h4><p>As a leading technology innovator in chromatography, mass spectrometry, and thermal analysis instruments and software, Waters shares a common mission with our customers: to leave the world a better place than we found it. Many of our customers are actively working to address environmental sustainability while balancing the need to continually reduce operational costs. The Xevo TQ-S micro consumes less electricity than other instruments in its class and therefore produces less heat – lessening the need for air conditioning and lowering costs.</p><p><strong>Table 1:</strong> Instrument / Power Consumption / Heat Output</p><ul><li><strong>Waters Xevo TQ-S micro</strong> / 1250 W / 4,263 Btu/h</li><li><strong>Competitor B</strong> / 1452 W / 4,950 Btu/h</li><li><strong>Competitor A</strong> / 1600 W / 5,456 Btu/h</li><li><strong>Competitor C</strong> / 1960 W / 6,500 Btu/h</li></ul><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/nextgen/us/en/account/sign-in.html"><strong>Xevo TQ-S micro Site Preparation Guide</strong></a><br>Note that power stated for scroll pump configuration. Option for rotary pump configuration is available</p><p>Power and heat outputs for mid tier TQ products, conversion factor 1W = 3.41 Btu/h</p></blockquote><h3><strong>Ultimate Productivity</strong></h3><h4><strong>Achieve More with Flexible Software Solutions</strong></h4><p>The Xevo TQ-S micro is available on both the waters_connect™ and MassLynx™ Software platforms, providing the ultimate flexibility to choose a future-proof solution to meet your lab requirements.</p><ul data-spread="false"><li><strong>waters_connect™:</strong> Our modern, app-based software platform delivers efficiency and usability benefits, including the unique Exception Focused Review (XFR) functionality that can save up to 50% of your data review time.</li><li><strong>MassLynx™: </strong>A well-established software package delivering market-leading versatility and flexibility for all application areas.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_TQ_S_micro_Triple_Quadrupole_Mass_Spectrometry_Convert_data_into_meaningful_results_with_waters_connect_and_Mass_Lynx_028cc58bc8.jpg" alt="Waters Xevo TQ-S micro Triple Quadrupole Mass Spectrometry: Convert data into meaningful results with waters_connect and MassLynx." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_TQ_S_micro_Triple_Quadrupole_Mass_Spectrometry_Convert_data_into_meaningful_results_with_waters_connect_and_Mass_Lynx_028cc58bc8.jpg 245w," sizes="100vw" width="1024" height="346"></p><h3><strong>Flexibility</strong></h3><h4><strong>Choose the Optimal Separation and Ionization Technique for Your Application</strong></h4><p>Waters' market-leading separation technologies include the ACQUITY™ UPLC™ family of LC systems and APGC™. Application flexibility is further enhanced by the range of quickly interchangeable ion source options made possible by universal ion source architecture.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Xevo_TQ_S_micro_Triple_Quadrupole_Mass_Spectrometry_UPLCMRM_data_on_Xevo_TQ_XS_4f0ea1bc1f.jpg" alt="Waters Xevo TQ-S micro Triple Quadrupole Mass Spectrometry: UPLC/MRM data on Xevo TQ-XS with UniSpray ion source showing improved sensitivity for three compounds that would typically require a change in ionization technique for optimal analysis." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Xevo_TQ_S_micro_Triple_Quadrupole_Mass_Spectrometry_UPLCMRM_data_on_Xevo_TQ_XS_4f0ea1bc1f.jpg 245w," sizes="100vw" width="1024" height="384"></p><h3><strong>Optimal Support</strong></h3><h4><strong>Ensure Your Success with World-Renowned Services</strong></h4><p>Waters Service and Support helps maintain system peak performance, minimize downtime, address scientific application challenges, and support stringent compliance requirements.</p><p><strong>Waters award-winning consistent quality support and professional services ensure your success wherever your laboratory is located in the world. With Waters Service and Support offerings* for your Xevo TQ-S micro, you can:</strong></p><h4><strong>Get up and running quickly&nbsp;</strong></h4><p>Get onsite training and consultation to integrate the Xevo TQ-S micro into your laboratory and assist with data migration and method transfer needs with Waters Professional Services.</p><h4><strong>Meet your lab’s unique requirements</strong></h4><p>Protect your high-performance instrument investment with comprehensive &nbsp;portfolio of service plans such as Waters FlexCHOICE™, which provides access to the most in-depth and up-to-date knowledge of the advanced science and technologies within Waters systems.</p><h4><strong>Facilitate compliance</strong></h4><p>Simplify the process of qualification, validation, and recordkeeping so that your business can focus on delivering products to market with Waters Compliance Services – so you can meet the regulations in your industry and in the countries where you conduct business.</p><h4><strong>Reduce total cost of ownership</strong></h4><p>FlexCAPITAL™<strong>**</strong> is designed to support continuous laboratory operation while satisfying the budgeting challenges of a constantly shifting landscape. Minimize total cost of ownership while optimizing instrument performance and protecting your organization from security risks associated with outdated software platforms.</p><h4><strong>Leverage your existing technology</strong></h4><p>With the FlexUP™ technology renewal program, you can upgrade your older tandem quadrupole mass spectrometry system to the Xevo TQ-S micro – improving performance, results, and productivity while controlling costs and mitigating compliance risk.</p><p><strong>*</strong>Availability of offerings varies by country. Contact Waters or your local Waters representative for details.</p><p><strong>**</strong>FlexCAPITAL payment plan options and availability may vary by country. Other restrictions may apply.</p>

Products focused on LC/MS/MS from Waters - page 2

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