<div>In 2025, two outstanding young female researchers, Drs. Filipa Oliveira and Stella Gonsales, both originally from outside the Czech Republic, received prestigious JUNIOR STAR grants from the Czech Science Foundation (GAČR). JUNIOR STAR enables early career researchers to establish their own independent research groups and significantly advance their scientific careers. Their projects reflect cutting-edge research in materials science and sustainable chemistry, highlighting the international reach and welcoming research environment at UCT Prague.Dr. Stella Gonsales is also a&nbsp;laureate of the Dagmar Procházková Fund, which supports promising scientific projects in sustainable and advanced organic chemistry. Another recipient of this grant is Dr.&nbsp;Anna Valunchene, whose research complements UCT Prague’s&nbsp;sustainability goals. This dual funding underlines Stella’s&nbsp;remarkable achievements and the wide scope of innovative research at UCT Prague.Both Filipa and Stella are actively looking for motivated students and researchers to join their teams, offering a&nbsp;unique opportunity to work at the forefront of science in a&nbsp;vibrant and supportive environment.</div><div><h3>Interview with Filipa Oliveira: Pioneering tubular MXenes for supercapacitor energy storage</h3><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/VSCHT_Praha_V_prestizni_soutezi_GACR_uspely_dve_zahranicni_vedkyne_z_VSCHT_2_da6e538579.jpeg" alt="VŠCHT Prague: JUNIOR STAR Grants at UCT Prague: Two talented women from abroad driving innovation in science: Filipa Oliveira" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_VSCHT_Praha_V_prestizni_soutezi_GACR_uspely_dve_zahranicni_vedkyne_z_VSCHT_2_da6e538579.jpeg 235w," sizes="100vw" width="1500" height="999"><h5>Congratulations on receiving the JUNIOR STAR grant. What does this achievement mean for you and how will it influence your next steps?</h5>Thank you. It’s&nbsp;a huge achievement to receive this prestigious grant. It gives me the opportunity to establish my own research group here at UCT Prague. The JUNIOR STAR program supports talented young scientists in building their teams and accessing resources. This means I&nbsp;now have the support to focus fully on my research about tubular MXenes and their application in supercapacitors.<h5>Why are tubular MXenes so innovative for energy storage?</h5>MXenes are a family of 2D materials with a layered, accordion-like structure and known for their excellent electrical conductivity. Our innovation is to produce them with a tubular morphology, combining the high conductivity and redox activity in superior ion-transport tubular architectures. Their open, hollow structure increases surface area, ion diffusion and charge transport. This could translate to faster, more efficient supercapacitors, critical for sustainable energy technologies.<h5>How did your scientific interest lead you to this field?</h5>Global challenges around green energy made me focus on materials that can improve energy storage. MXenes stood out because changes in the composition and structure can significantly change their properties. I&nbsp;was curious about how tuning different metallic elements in a&nbsp;tubular morphology can impact how MXenes perform and how to optimize them for practical applications.<h5>What challenges have you encountered?</h5>One major challenge is their stability: MXenes oxidize quickly which deteriorates performance. Another challenge is understanding how synthesis conditions of both MXenes and their precursors (MAX phases) must be adapted to create and preserve tubular morphologies since their synthesis mechanisms differ from conventional MXenes. Additionally, effectively communicating the project in the funding proposal to show to reviewers why I&nbsp;should obtain this funding was also a&nbsp;challenge, but thanks to mentorship and collaboration, I&nbsp;overcame these hurdles.<h5>What motivates you most about working at UCT Prague?</h5>The support from colleagues and the excellent technical infrastructure make it a&nbsp;great place to work. Also, being a&nbsp;former member of Professor Sofer’s&nbsp;leading group in 2D&nbsp;materials is inspiring and led me to this achievement.<h5>How do&nbsp;you see your professional development going in the future?</h5>The grant will help me build my own team, acquire equipment, and develop collaborations. My long-term vision is to contribute significantly to sustainable energy solutions and scientific progress both locally and internationally.<h5>You are looking for new team members. What kind of students or scientists do&nbsp;you need?</h5>We are currently welcoming enthusiastic master's&nbsp;students, PhD candidates, and postdocs who are passionate about materials science and eager to explore new frontiers in MXenes and energy storage. If you love curiosity-driven research and want to be part of a&nbsp;growing international team, we encourage you to join us.<h3>Interview with Stella Gonsales: Catalysis as a&nbsp;key to polymer recycling</h3><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/VSCHT_Praha_V_prestizni_soutezi_GACR_uspely_dve_zahranicni_vedkyne_z_VSCHT_3_3d0ded6274.jpeg" alt="VŠCHT Prague: JUNIOR STAR Grants at UCT Prague: Two talented women from abroad driving innovation in science: Stella Gonsales" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_VSCHT_Praha_V_prestizni_soutezi_GACR_uspely_dve_zahranicni_vedkyne_z_VSCHT_3_3d0ded6274.jpeg 233w," sizes="100vw" width="1499" height="1000"><h5>Congratulations on your JUNIOR STAR grant and also being awarded the Dagmar Procházková Fund. What does receiving both mean to you and how will they shape your work?</h5>Thank you. Both grants are hugely important. The JUNIOR STAR grant allows me to expand my group and resources for research into catalytic recycling of polymers, while the Dagmar Procházková Fund supports complementary projects such as synthesizing new biodegradable polymers. Together, they help tackle the plastic waste problem from multiple scientific angles.<h5>Could you explain your research in layperson’s&nbsp;terms?</h5>Most plastics have strong carbon-carbon bonds. We insert more cleavable double bonds into polymers that can be broken down by catalytic reactions called olefin metathesis, making recycling on a&nbsp;molecular level more feasible.<h5>What makes the JUNIOR STAR grant particularly important for your research and career development?</h5>The JUNIOR STAR grant is a&nbsp;prestigious and highly competitive funding opportunity aimed at excellent early-career scientists within eight years of completing a&nbsp;Ph.D. It provides up to 25&nbsp;million CZK over five years, allowing recipients to establish independent research groups and pursue innovative scientific topics. This grant is crucial for building a&nbsp;solid foundation, acquiring necessary equipment, and recruiting talented team members, enabling the pursuit of ambitious projects that can significantly contribute to both the Czech scientific community and global challenges.<h5>What collaborations support your research?</h5>The collaboration between UCT Prague and the Institute of Organic Chemistry and Biochemistry (IOCB) of the Czech Academy of Sciences primarily provides financial and technical support. The cooperation helps with funding, access to advanced equipment, and operational resources needed for running research projects.<h5>What advice would you give young scientists aiming to succeed?</h5>I&nbsp;encourage thinking outside the box and combining diverse knowledge you acquire during your career to address complex problems that are exciting and relevant to you.<h5>Your laboratory bears the name of Otto Wichterle and was ceremonially opened in the presence of Professor Kamil Wichterle. How does Wichterle’s&nbsp;legacy inspire you personally?</h5>Wichterle’<s>’</s>s&nbsp;innovative spirit motivates me to push creative boundaries and pursue novel solutions in sustainable chemistry.<h5>What are your visions for the future?</h5>I&nbsp;aim to build a&nbsp;research group that advances sustainable polymer recycling, contributing to environmental responsibility and the circular economy.<h5>You are recruiting people for your team. What skills do&nbsp;they need to have?</h5>We are looking for talented Ph.D. students and postdocs experienced in air-sensitive catalysis techniques. If you want to contribute to transformative research in sustainable chemistry and join a&nbsp;dynamic team, this is a&nbsp;great opportunity.</div>

JUNIOR STAR Grants at UCT Prague: Two talented women from abroad driving innovation in science

News from LabRulezGCMS Library - Week 06, 2026

Scientists at IOCB Prague are uncovering new details of gene transcription. They have identified a previously unknown molecular mechanism by which the transcription of genetic information from deoxyribonucleic acid (DNA) into ribonucleic acid (RNA) can be initiated. The researchers focused on a specific class of molecules known as alarmones, which are found in cells across a wide range of organisms and whose levels often increase under conditions of cellular stress. The results were published in the prestigious scientific journal Nature Chemical Biology.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_bc2bfffa6c.jpg" alt="IOCB Prague/Tomáš Belloň: Research from IOCB Prague reveals a previously unknown mechanism of genetic transcription: Dr. Hana Cahová, head of the Chemical Biology of Nucleic Acids research group." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_bc2bfffa6c.jpg 234w," sizes="100vw" width="2000" height="1335"><div>Molecules of ribonucleic acid can carry a variety of chemical modifications at one end, known as caps. In eukaryotic organisms, including human cells, the best-known cap plays an important role in RNA stability and in regulating its subsequent fate. In recent years, however, it has become clear that alternative, non-canonical RNA caps also exist, although their formation and the mechanisms by which they are attached to RNA remain only partially understood. These include alarmone caps, formed by dinucleoside polyphosphate molecules, that protect cellular RNA at moments when the cell is under threat.In their study, <a target="_blank" rel="noopener noreferrer" href="https://cahova.group.uochb.cz/en">Dr. Hana Cahová</a> and colleagues examined bacterial RNA polymerase and investigated how this enzyme can initiate transcription using dinucleoside polyphosphates (NpNs) instead of the standard RNA building blocks. For the first time, the scientists described, at the atomic level, how RNA bearing an alarmone cap can be generated directly at the initiation of gene transcription. They also observed that NpNs bind through a different type of base pairing than is typically observed.The work was significantly shaped by Valentina Serianni from Hana Cahová’s team, who demonstrated the ability of dinucleoside polyphosphates to initiate gene transcription, and by Jana Škerlová, who focused on the structural analysis of RNA polymerase. Using cryogenic electron microscopy data, she showed how dinucleoside polyphosphate molecules bind within the active site of RNA polymerase – that is, the core of the enzyme where genetic information is transcribed. Together, their findings help to elucidate the processes that accompany the transcription of genetic information from DNA to RNA.Hana Cahová adds: “We’re describing something that truly occurs in cells and that we’re now able to observe directly at the level of individual molecules. This allows us to answer fundamental questions about cellular processes, such as how cells adapt to stress. RNA plays a central role in this, as it carries the cascade of information underlying any cellular response – for example, to threatening conditions caused by nutrient deprivation or temperature shock.”<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_2_0fe88ff9e9.jpg" alt="IOCB Prague/Tomáš Belloň: Research from IOCB Prague reveals a previously unknown mechanism of genetic transcription: Dr. Tomáš Kouba, head of the Cryogenic Electron Microscopy core facility." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_2_0fe88ff9e9.jpg 234w," sizes="100vw" width="2000" height="1335"><div>Cryogenic electron microscopy (cryo-EM) was central to the project. This part of the work was led by Dr. Tomáš Kouba, one of the authors of the study. “Cryogenic electron microscopy allows us to freeze biological molecules in a state very close to their natural form and then determine their three-dimensional structure. This makes it possible to look directly into the active centers of enzymes and observe their function down to the atomic level,” he explains.Last year, IOCB Prague opened a new <a target="_blank" rel="noopener noreferrer" href="https://cryoem.group.uochb.cz/en">cryo-EM center</a> that is unique within the Czech research environment. State-of-the-art cryogenic electron microscopes are housed in a specially designed building and enable the study of biological processes with exceptional structural precision.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_3_4d881e7a58.jpg" alt="IOCB Prague: Research from IOCB Prague reveals a previously unknown mechanism of genetic transcription: This work shows how NpnNs initiate bacterial transcription. Cryo-EM reveals how nucleobases pair with the template: one in canonical and one in reverse Watson–Crick mode, providing a structural basis for their function as non-canonical RNA caps." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_3_4d881e7a58.jpg 245w," sizes="100vw" width="2000" height="1077"><blockquote><h4>The Original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.nature.com/articles/s41589-025-02134-5">Molecular insight into 5′ RNA capping with NpnNs by bacterial RNA polymerase</a></h4>Valentina M. Serianni, Jana Škerlová, Anna Knopp Dubánková, Anton Škríba, Hana Šváchová, Tereza Vučková, Anatolij Filimoněnko, Milan Fábry, Pavlína Řezáčová, Tomáš Kouba &amp; Hana Cahova&nbsp;Nat. Chem. Biol. 21 (2026)<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1038/s41589-025-02134-5">https://doi.org/10.1038/s41589-025-02134-5</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote><h4>Abstract</h4>RNA capped with dinucleoside polyphosphates has been discovered in bacteria and eukaryotes only recently. The likely mechanism of this specific capping involves direct incorporation of dinucleoside polyphosphates by RNA polymerase as noncanonical initiating nucleotides. However, how these compounds bind into the active site of RNA polymerase during transcription initiation is unknown. Here, we explored transcription initiation in vitro, using a series of DNA templates in combination with dinucleoside polyphosphates and model RNA polymerase from Thermus thermophilus. We observed that the transcription start site can vary on the basis of the compatibility of the specific template and dinucleoside polyphosphate. Cryo-electron microscopy structures of transcription initiation complexes with dinucleoside polyphosphates revealed that both nucleobase moieties can pair with the DNA template. The first encoded nucleotide pairs in a canonical Watson–Crick manner, whereas the second nucleobase pairs noncanonically in a reverse Watson–Crick manner. Our work provides a structural explanation of how dinucleoside polyphosphates initiate RNA transcription.</div></div>

Research from IOCB Prague reveals a previously unknown mechanism of genetic transcription

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The University of Chemistry and Technology, Prague is a natural centre of first-rate study and research in the area of chemistry in Czechia and is one of the country's largest educational and research institutions focused on technical chemistry, chemical and biochemical technologies, material and chemical engineering, food chemistry, and environmental studies.

UCT Prague

The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences (IOCB Prague) is a leading scientific institution in the Czech Republic, recognized internationally. Its primary mission is basic research in the fields of chemical biology and medicinal chemistry, organic and material oriented chemistry, chemistry of natural compounds, biochemistry and molecular biology, physical chemistry, theoretical chemistry, and analytical chemistry. 

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

LabRulez

The Analytical Scientist

LECO

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

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

High Temp GCxGC of Light Crude Oil and High Boilers

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

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

Medical Application: Breath Volatile Compounds in Asthma Patients

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

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

Analysis of Environmental Contamination in the Susquehanna River

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

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

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

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

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

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

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

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

GCMS webinars focusing on GC/TOF - page 13