<p><strong>Jan Velecký is a&nbsp;researcher at the RECETOX center. In his dissertation, he focuses on machine learning methods for protein engineering. He works at the center within Loschmidt Laboratories, specifically on Stanislav Mazurenko's&nbsp;team. In the interview, he explains what protein engineering is about, why it is important to study protein solubility, and how machine learning can be crucial for human knowledge.</strong></p><div><div><h5><strong>How did you get into protein engineering?</strong></h5><p>Since childhood, I&nbsp;had a&nbsp;curious relationship with computers, which led me to a&nbsp;technical high school in Zlín, where I&nbsp;studied information technology. Then I&nbsp;continued at the Faculty of Information Technology at Brno University of Technology. After my bachelor's&nbsp;degree, I&nbsp;realized that I&nbsp;would like to combine computer science with something more tangible, not just living inside the computer. One option was bioinformatics, which I&nbsp;started to pursue during my master's&nbsp;studies. Even then, I&nbsp;began to focus on protein research, specifically choosing the topic of protein solubility for my diploma thesis. And that's&nbsp;what I&nbsp;still do.</p><h5><strong>Could you explain a&nbsp;bit about what protein engineering actually focuses on?</strong></h5><p>Protein engineering is, simply put, the design or modification of proteins. Sometimes we create completely new proteins, or more commonly, we modify existing ones. We often proceed based on mutations, i.e., targeted changes that a&nbsp;scientist makes in the protein. To be able to change and modify proteins purposefully, we first need to study them and find out how they work. In its early days, the field aimed at creating mutations that would "damage" the function of a&nbsp;protein. If we manage to disable the protein through mutation, we actually reveal which part of it is essential for its function. That's&nbsp;why protein engineering was initially dubbed protein terrorism.</p><h5><strong>How can I&nbsp;practically imagine such deliberate protein mutating?</strong></h5><p>A protein is a&nbsp;linear molecule, a&nbsp;chain of amino acids encoded by a&nbsp;gene. An organism produces it according to the gene and subsequently the protein folds, gaining a&nbsp;shape. The shape then determines the function of the protein. We don't need to know the shape, but we can play with the composition of amino acids. Typically, we replace an arbitrary amino acid with another. We have 20 types of amino acids, so I&nbsp;can, for example, put an alanine, which is very small and neutral, instead of a&nbsp;cysteine, making it ideal for our purposes. If the protein loses its function after such modification, we know that this cysteine is essential for its function or some key property.</p><h5><strong>Why do you focus on solubility particularly?</strong></h5><p>Solubility is one of the basic properties; it is crucial for producing new proteins. It determines whether it will be possible to produce the protein in sufficient quantity or quality and at an acceptable cost. It has direct implications in medicine and industry; drugs for stroke in development, for example, are protein-based, so are ingredients contained in washing detergents. Decent solubility is important for yield and thus more efficient production. I&nbsp;specifically deal with methods to estimate changes in protein solubility. This means that where we would usually need a&nbsp;person and material to measure solubility, we could use a&nbsp;computer and estimate solubility in silico, saving both money and time. For example, with the mentioned therapeutics for stroke, we could determine solubility in advance and avoid experiments that wouldn't make sense. To sum up, I&nbsp;try to measure and predict changes in protein properties, especially solubility, after introducing a&nbsp;mutation.</p><h5><strong>Do you have a&nbsp;personal connection to the field?</strong></h5><p>Bioinformatics interested me mainly because I&nbsp;saw its potential for the future; it simply seemed exciting to me. By choosing my then-teacher Jiří Hon, who was doing his doctorate at the faculty, as my diploma thesis supervisor at BUT, I&nbsp;also became part of the Loschmidt Laboratories, where I&nbsp;subsequently started working on my own doctorate under the supervision of Dr. Stanislav Mazurenko.</p><figure class="image"><img style="aspect-ratio:575/764;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MUNI_Proteinovy_vedec_Jan_Velecky_Strojove_uceni_muze_zazarit_tam_kde_uz_lidska_predstavivost_nestaci_877b7af987.jpg" alt="MUNI: Protein scientist Jan Velecký: Machine learning can shine where human imagination falls short" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MUNI_Proteinovy_vedec_Jan_Velecky_Strojove_uceni_muze_zazarit_tam_kde_uz_lidska_predstavivost_nestaci_877b7af987.jpg 117w," sizes="100vw" width="575" height="764"></figure><h5><strong>Can you explain a&nbsp;bit about what the Loschmidt Laboratories are?</strong></h5><p>The full name is the Loschmidt Laboratories of Protein Engineering, which is our main research focus. We are named after Johann Josef Loschmidt, a&nbsp;Bohemian-Austrian scientist of the 19th century, a&nbsp;founder of modern chemistry. We consist of four teams, two more theoretical, more focused on computational methods, and two experimental, working in the laboratory. What is specific about our work is that although we have specific protein targets we focus on, they serve more as case studies for the methods we create. We develop several software tools for protein engineers, biochemists, or clinical doctors to analyze or modify proteins for their applications. For example, one of our successful and widely used tools is EnzymeMiner, which can find more proteins with the desired function based on the well-studied protein. Thanks to it, we can recycle and use what nature has already invented in the course of evolution. Our work is mainly about developing methods and tools.</p><h5><strong>Where does your work fall within the focus of the Loschmidt Laboratories?</strong></h5><p>Researching solubility is about protein optimization. If we develop a&nbsp;new drug, but the yield is so low that it is not enough even for laboratory experiments, we can increase it thanks to protein engineering. I&nbsp;mentioned the drug for stroke; another good example is insulin, which had low solubility earlier and originally used to be derived from pigs, but today, we can produce it artificially in cells and then extract it, making it financially accessible. Solubility prediction is also important in diagnostics. Many diseases are caused by mutation in an individual's&nbsp;genetic code that significantly reduces the solubility of a&nbsp;particular protein. And since insoluble proteins can even be toxic, there is a&nbsp;potential use in personalized medicine too.</p><h5><strong>If I&nbsp;understand correctly, the role of IT in your field is primarily to save time and money. But does machine learning have any other specific advantages?</strong></h5><p>Certainly. Let's&nbsp;say that all the problems a&nbsp;person solves can be well managed if they are imaginable in two to four dimensions. However, once there are, say, a&nbsp;hundred dimensions, finding interdependencies and explaining the phenomena and behaviours that lead to them is definitely not trivial. This is where machine learning can shine, as it has no limitations in the possible number of dimensions it can think in and can find what is hidden from us.</p><h5><strong>How can you be sure that the information you obtain this way is reliable?</strong></h5><p>Naturally, we have methods to verify reliability. The basis is that we train the machine learning model from data with known outcomes. However, we do not show the model all the data we have. The data we keep aside then serves to test the model. Machine learning is also about experimentation. It's&nbsp;not like you design a&nbsp;model and it works straight on.</p><p>And thanks to today's&nbsp;availability of computational hardware, we are putting into practice what was previously unimaginable. After all, the cost per unit of computation has dropped a&nbsp;quadrillion times since the 1950s when the foundations of machine learning were laid.</p><h5><strong>Where is the field heading and what are its ambitions?</strong></h5><p>There is a&nbsp;whole array of unresolved problems. The latest major challenge solved was the protein structure prediction problem. Now we know what the shape of a&nbsp;protein molecule will be based on its genetic code. This is an important advancement because, as I&nbsp;said, the function depends on a&nbsp;shape. Thus, I&nbsp;think we will now see many problems in molecular biology solved in quick succession. If I&nbsp;were to put it on a&nbsp;timeline, we used to mutate proteins to find out how they work. Today, we are redesigning them. In the future, we will be ordinarily creating completely new proteins, supported not only by the development of machine learning but also by robotics and other high-throughput methods that will enable us to collect data for machine learning.</p><h5><strong>Do you think the development of AI could threaten some jobs in science?</strong></h5><p>In my opinion, the development of AI will improve the lives of scientists because it will make repetitive and boring work easier. I&nbsp;don't think AI is targeting any specific positions. Proofreaders and translators might be needed less. In other positions, it will actually increase efficiency and thus the amount of work completed. Someone who now characterizes five protein variants a&nbsp;week in the lab might one day do five thousand.</p><h5><strong>What are your personal vision and scientific ambitions?</strong></h5><p>I would like my work to advance the field of protein engineering so that the field can continue to build on it. Right now, I&nbsp;want to focus mainly on completing my doctorate. In the future, I&nbsp;would like to stay in research. However, I&nbsp;want to experiment a&nbsp;bit at the same time. It could be an experience from research in the commercial sphere or a&nbsp;voyage into a&nbsp;new domain where I&nbsp;could apply my machine-learning skills. Not stopping broadening my horizons.</p></div></div>

Protein scientist Jan Velecký: Machine learning can shine where human imagination falls short

<p><strong>In 2025, the 16th workshop will be hosted in person in Liege, Belgium. The workshop will be shared between key speaker presentations, flash presentations, poster presentations, and focus group discussions on the challenges and the futures of the field. The workshop is dedicated to all multidimensional techniques.</strong></p><h3><strong>Program</strong></h3><p>The Guidebook contains the program and all other pertinent conference information.</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/article/4750"><strong>Final Program (On-line)</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.multidimensionalchromatography.com/uploads/5/8/9/1/58913545/_final_16mdcw_guidebook.pdf"><strong>Final Guidebook (PDF)</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.multidimensionalchromatography.com/uploads/5/8/9/1/58913545/_global_abstract.pdf"><strong>Abstract Book (PDF)</strong></a></li></ul><p><strong>We hope to see you there!</strong></p><h3><strong>Focus Groups 2025</strong></h3><h5><strong>Guided Discussion 1:​ Transition to green chemistry, challenges and opportunities for analytical revolution</strong></h5><ul><li><strong>Moderators: </strong>Melissa Dunkle (Dow Benelux), Pierre Giusti (TOTAL Energies), Jef Focant (Université de Liège)</li></ul><p>Over the last five years, the political actions to minimize climate change have deeply modified the landscape of chemical and energy industries. These ambitious targets are currently driving the research and development effort to greener solutions for material, chemical, and energy production. &nbsp;<br>During this discussion group, we will discuss with key actors of the field to see the challenges and opportunities for analytical technology in this green revolution. &nbsp;</p><ul><li>What is the biggest impact of the green revolution on your work? &nbsp;</li><li>How have these changes impacted your work as an analytical scientist? &nbsp;</li><li>What are the biggest challenges you aim to tackle in the next 3 years? &nbsp;</li><li>How has your knowledge on non-renewable matrices helped you to address these challenges? &nbsp;</li><li>What are the opportunities for separation sciences in tackling those challenges? &nbsp;</li><li>Any success stories you can share with the audience? &nbsp;</li></ul><h5><strong>Guided Discussion 2: Teaching GC×GC to students, post-docs, and staff</strong></h5><ul><li><strong>Moderators:</strong> Chris Freye, Colleen Ray, and Michelle Corbally (Los Alamos National Laboratory)</li></ul><p>Teaching GC×GC to people in different stages of their careers, especially with diverse analytical chemistry backgrounds, often requires a different approach. Those who learn GC×GC as part of their graduate school experience have multiple years to master the technique whereas people who are trained on the job (post-docs and staff) have significantly less time to attain the same level of proficiency. This discussion will focus on instructional approaches and difficulties in training people with various backgrounds on GC×GC. Special attention will be given to common difficulties encountered regardless of career level.</p><blockquote><h4><strong>OLD SPONSORS 2025</strong></h4><ul><li><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://www.leco.com/"><strong>LECO</strong></a></p></li><li><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://www.jeolbenelux.com/"><strong>JEOL</strong></a></p></li></ul><p><img style="aspect-ratio:1283/384;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_MDCW_2025_Gold_Sponsors_97685a5688.jpg" alt="MDCW: MDCW 2025 Gold Sponsors." width="1283" height="384"></p></blockquote><h3><strong>Short Course - 2025</strong></h3><p>The 2025 Short Course registration is <strong><u>now closed</u></strong>. Thank you for your interest.</p><h4><strong>A Beginner’s Guide to Multidimensional Chromatography</strong></h4><ul><li><strong>Instructors:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Pierre-Hugues+Stefanuto"><strong>Pierre-Hugues Stefanuto</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Katelynn+Perrault+Uptmor"><strong>Katelynn Perrault Uptmor</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Dwight+Stoll"><strong>Dwight Stoll</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Petr+Vozka"><strong>Petr Vozka</strong></a></li></ul><h5><strong>Course Description</strong></h5><p>So...you want to do multidimensional chromatography? If you are getting started in the field using either liquid or gas chromatography, you’re in the right place. This course will cover a brief history and introduction to both multidimensional gas chromatography and multidimensional liquid chromatography. Discussion will also include basic system components and data handling strategies to apply after acquiring your data. A hands-on portion of the course will also include familiarization with common system components and consumables for both GC and LC, as well as the opportunity to use a commercial GC×GC instrument.</p><h5><strong>Target Participants</strong></h5><p>This course is intended to be an initial touchpoint for those who are looking to explore multidimensional chromatography as a new option/capability, or who might be using it for the first time. The course is intended for new users to obtain a background on the techniques as a primer to the workshop. &nbsp;Advanced topics will not be discussed.</p><h5><strong>Course Logistics</strong></h5><ul><li>Morning Session (8:30 AM – 12:30 PM): Pentahotel Liège, Bd de la Sauvenière 100, 4000 Liège</li><li>Afternoon Session (2:00 PM – 5:00 PM): University of Liège Sart Tilman Campus, Quartier Agora, Allée du Six Août 11, 4000 Liège</li></ul><p>Lunch and coffee will be provided. Transportation to/from the university for the afternoon session will be organized for the group. &nbsp;</p><h5><strong>Cost</strong></h5><p>A $50 fee is required to reserve a spot in the course. 20 seats are available. An expression of interest form will be available to indicate interest in a seat within the course. On November 1st, participants will be informed about seat availability and the payment process will be communicated.</p><blockquote><h4><strong>SILVER SPONSORS SPONSORS 2025</strong></h4><ul><li><p class="cke-user_style-important"><strong>SpectralWorks</strong></p></li><li><p class="cke-user_style-important"><strong>GC Image</strong></p></li><li><p class="cke-user_style-important"><strong>SepSolve Analytical</strong></p></li><li><p class="cke-user_style-important"><strong>TRAJAN</strong></p></li><li><p class="cke-user_style-important"><strong>Exxon Mobil</strong></p></li><li><p class="cke-user_style-important"><strong>GL Sciences</strong></p></li><li><p class="cke-user_style-important"><strong>RIC Group</strong></p></li><li><p class="cke-user_style-important"><strong>Inter Science</strong></p></li><li><p class="cke-user_style-important"><strong>TotalEnergies</strong></p></li><li><p class="cke-user_style-important"><strong>SRA Instruments analytical solution</strong></p></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_SILVER_SPONSORS_SPONSORS_16th_Multidimensional_Chromatography_Workshop_MDCW_63e742d8ce.jpg" alt="MDCW: SILVER SPONSORS SPONSORS - 16th Multidimensional Chromatography Workshop (MDCW)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_SILVER_SPONSORS_SPONSORS_16th_Multidimensional_Chromatography_Workshop_MDCW_63e742d8ce.jpg 245w," sizes="100vw" width="1388" height="764"></p></blockquote><h5><strong>Part I (1 hr) – History, Terminology, Fundamental Concepts</strong></h5><ul><li>Outline (Total Time ~ 4 hrs)</li></ul><ol><li><strong>Brief history of the development of multidimensional separations</strong></li><li><strong>Terminology</strong></li><li><strong>Fundamental Concepts</strong><ol><li>In what ways are multidimensional separations useful for analytical chemistry / measurement science?</li><li>First and second separations should be orthogonal / complementary</li><li>Fast second dimension separations are important to avoid undersampling</li><li>Structured chromatograms can provide chemical insight and facilitate data interpretation</li><li>Highlights of an example data processing workflow – from raw data to actionable information &nbsp;</li></ol></li></ol><h5><strong>Part II (1.25 hr) Introduction to Multidimensional Gas Chromatography</strong></h5><ol><li><strong>Method basics</strong><ol><li>Column selection</li><li>Method parameters</li><li>Carrier gas choices</li><li>Detector considerations</li></ol></li><li><strong>Modulator selection with a focus on current market options</strong><ol><li>Thermal modulators</li><li>Flow modulators</li><li>Other commercial options</li></ol></li><li><strong>Method development made simple</strong></li><li><strong>Data preprocessing and initial handling</strong></li></ol><h5><strong>Part III (1.25 hr) Introduction to Multidimensional Liquid Chromatography</strong></h5><ol><li><strong>Modes of multidimensional separation commonly used with LC</strong><ol><li>Heartcut</li><li>Multiple heartcut / selective comprehensive</li><li>Fully comprehensive</li></ol></li><li><strong>Interfaces used for multidimensional LC (i.e., the hardware that does the transfer from first to second dimension)</strong></li><li><strong>Common use cases of multidimensional LC illustrated using examples from industry and academic research</strong><ol><li>Evaluating peak purity</li><li>Unknown identification via multidimensional and MS or NMR detection</li><li>Multi-stage separation with analyte transformation between stages</li><li>Multi-attribute methods</li><li>Making complete analysis of moderately complex samples attainable in a reasonable analysis time</li><li>Digging deeper – comprehensive separations for comprehensive analysis</li></ol></li><li><strong>Introduction to method development strategies</strong></li></ol><h5><strong>Part IV (15 min) Wrap-up and Q&amp;A</strong></h5><ul><li>Travel to University of Liege (30 min)</li><li>Lunch (45 min)</li><li>Part V (3 hours) &nbsp;</li></ul><p>Participants will have the opportunity to familiarize with a variety of GC and LC components used for multidimensional systems including:</p><ul><li>LC: Interface, valves, columns, acquisition software&nbsp;<br>GC: Detector components, inlet components, columns, cutting tools, column connectors, source components</li></ul><p>Participants will have the opportunity to inject basic samples on a LECO Peg 4D and LECO Peg BT 4D CF system, and to interact with 2D LC software setup.</p><blockquote><h4><strong>SHORT COURSE SPONSORS 2025</strong></h4><ul><li><p class="cke-user_style-important"><strong>Acesss</strong></p></li><li><p class="cke-user_style-important"><strong>Certech</strong></p></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_MDCW_2025_Short_Course_Sponsors_17c5136804.jpg" alt="MDCW 2025: Short Course Sponsors." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_MDCW_2025_Short_Course_Sponsors_17c5136804.jpg 245w," sizes="100vw" width="1314" height="406"></p><h4><strong>ARDS SPONSOR 2025</strong></h4><ul><li><p class="cke-user_style-important"><strong>SCSC</strong></p></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_MDCW_2025_Award_Sponsor_4db6e66b12.jpg" alt="MDCW 2025: Award Sponsor." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_MDCW_2025_Award_Sponsor_4db6e66b12.jpg 245w," sizes="100vw" width="1243" height="485"></p><h4><strong>MEDIA SPONSORS 2025</strong></h4><ul><li><p class="cke-user_style-important"><strong>LCGC International</strong></p></li><li><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/"><strong>LabRulezGCMS</strong></a></p></li><li><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/"><strong>LabRulezLCMS</strong></a></p></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_MEDIA_SPONSORS_16th_Multidimensional_Chromatography_Workshop_MDCW_a28c91bcc9.jpg" alt="MDCW: MEDIA SPONSORS - 16th Multidimensional Chromatography Workshop (MDCW)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_MDCW_MEDIA_SPONSORS_16th_Multidimensional_Chromatography_Workshop_MDCW_a28c91bcc9.jpg 245w," sizes="100vw" width="1001" height="277"></p></blockquote>

16th MDCW Focus Groups and Short Course 2025

<p><strong>Agilent’s OpenLab Software portfolio is a very useful approach for integrating the analytical workflow in mass spec analyses. It can easily be employed with NIST 2023 Search and associated libraries for unknown identifications.</strong></p><ul><li><strong>Some tips on using NIST MS Search for unknown identifications</strong></li><li><strong>Search with Agilent GC MSD/OpenLab CDS transferred to NIST MS Search</strong></li><li><strong>Information supplied from Agilent (Emily Adams, Product Support Engineer)</strong></li></ul><h5><strong>Topics Discussed</strong></h5><ol><li>Sending spectra for search from OpenLab to external NIST MS Search Program</li><li>Processing OpenLab Files in Agilent MassHunter</li><li>Export files in netCDF (AIA) format for processing with AMDIS, Wiley KnowItAll, etc.</li><li>Data file locations in OpenLab file directories</li><li>Searching using NIST dll with results returned for internal display in OpenLab</li><li>Library format supported by OpenLab and interconversion of library formats with NIST Lib2NIST utility program</li><li>Adding an entry to existing user library or creating first entry in a new user library</li><li>Initial Settings for NIST Search V3.0 in EI and MSMS (tandem) modes</li><li>Extensive user help found on “Agilent OpenLab Help &amp; Learning” website</li></ol><h4><strong>1) Can you send spectra to NIST’s MS Search program?</strong></h4><p>Yes! The simplest way is to right-click on the spectrum in OpenLab CDS and select Send spectrum to NIST MS Search program. (Note that this option is greyed out until NIST’s MS Search package is installed on the same PC as OpenLab CDS.)</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Can_you_send_spectra_to_NIST_s_MS_Search_program_e1be8d0169.jpg" alt="James Little: Can you send spectra to NIST’s MS Search program" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Can_you_send_spectra_to_NIST_s_MS_Search_program_e1be8d0169.jpg 245w," sizes="100vw" width="1909" height="497"></p><h4><strong>1) This will open NIST MS Search and load the spectrum you sent.</strong></h4><p>Note: When you click “Send spectrum to NIST MS program”. The MSP text file is generated and saved to a temporary folder (C:Usrs\&lt;CurrentUser&gt;\AppData\ Local\Temp\SPECTRA.MSP), should you need to access it</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_This_will_open_NIST_MS_Search_and_load_the_spectrum_you_sent_bf27ee181b.jpg" alt="James Little: This will open NIST MS Search and load the spectrum you sent" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_This_will_open_NIST_MS_Search_and_load_the_spectrum_you_sent_bf27ee181b.jpg 245w," sizes="100vw" width="1920" height="1152"></p><h4><strong>2) Can you process the OpenLab mass spec file in MassHunter?</strong></h4><p>Yes, you can convert OpenLab CDS data to MassHunter format. You can then analyze the converted data in MassHunter Quant, Qual, and Unknowns Analysis. You cannot open it in MSD ChemStation Data Analysis. There is a conversion tool you can access starting in MassHunter Quant 11.1.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Can_you_process_the_Open_Lab_mass_spec_file_in_Mass_Hunter_687cc49263.jpg" alt="James Little: Can you process the OpenLab mass spec file in MassHunter" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Can_you_process_the_Open_Lab_mass_spec_file_in_Mass_Hunter_687cc49263.jpg 245w," sizes="100vw" width="1352" height="790"></p><h4><strong>3) Can you convert OpenLab to netCDF (AIA) files?</strong></h4><p>Yes. The AIA export functionality in Post Processing Plugins allows the export in NetCDF format. For example, if you wanted to use NIST’s AMDIS program or Wiley KnowItAll, this is how you can export your data.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Can_you_convert_Open_Lab_to_net_CDF_AIA_files_5f44626879.jpg" alt="James Little: Can you convert OpenLab to netCDF (AIA) files" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Can_you_convert_Open_Lab_to_net_CDF_AIA_files_5f44626879.jpg 245w," sizes="100vw" width="1289" height="495"></p><h4><strong>4) Data File Locations in OpenLab</strong></h4><ul><li>CDS is organized in result sets – files are grouped together based on the sequence they are run with into folders called &lt;MyResultName&gt;.rslt (or &lt;MyResultName&gt;.sirslt for single injections). This *.rslt or *.sirslt folder contains all the data and processing information needed to reconstruct the analysis (acquisition method, processing method, raw data, results, etc.)</li><li>Raw data is stored in *.dx files. Results are stored in *.rx files. Each injection will have one *.dx and one *.rx file.</li><li>The MS data is stored in the same format that MassHunter uses – namely for GCMS single quads there are two binary files which contain the raw data - *.MSPeak.bin and *.MSScan.bin.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Data_File_Locations_in_Open_Lab_c42ec63450.jpg" alt="James Little: Data File Locations in OpenLab" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Data_File_Locations_in_Open_Lab_c42ec63450.jpg 245w," sizes="100vw" width="784" height="326"></p><h4><strong>5) Can library searches be performed with NIST dll and then returned to OpenLab for Display?</strong></h4><p>Yes, see page 29 in the following <a target="_blank" rel="noopener noreferrer" href="https://www.agilent.com/cs/library/usermanuals/public/CDS_Configure_MS_Libraries.pdf"><strong>link</strong></a> to Agilent documentation</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Can_library_searches_be_performed_with_NIST_dll_and_then_returned_to_Open_Lab_for_Display_b95a109ac2.jpg" alt="James Little: Can library searches be performed with NIST dll and then returned to OpenLab for Display" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Can_library_searches_be_performed_with_NIST_dll_and_then_returned_to_Open_Lab_for_Display_b95a109ac2.jpg 223w," sizes="100vw" width="1191" height="834"></p><h4><strong>6) What library formats are used with OpenLab?</strong></h4><p>OpenLab CDS can only use libraries in NIST format – so for users with existing .L (PBM) libraries, we direct them to convert using NIST’s Lib2NIST utility. mslibrary.xml libraries can also be converted, if you first send them to JCAMP format, then use Lib2NIST.</p><p>Information can also be found in section 5 of the following manual, <a target="_blank" rel="noopener noreferrer" href="https://www.agilent.com/cs/library/usermanuals/public/CDS_Configure_MS_Libraries.pdf"><strong>here is the link</strong></a></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_What_library_formats_are_used_with_Open_Lab_5c8a459932.jpg" alt="James Little: What library formats are used with OpenLab" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_What_library_formats_are_used_with_Open_Lab_5c8a459932.jpg 245w," sizes="100vw" width="1148" height="671"></p><h4><strong>7) How do I add to or create a user library?</strong></h4><ol><li>All libraries used in OpenLab are in NIST format</li><li>Thus, to add a library entry or to create the first entry in a new user library, first send the spectrum to NIST MS Search from OpenLab by using the “Send spectrum to NIST MS program”</li><li>Then the Librarian Tab is selected at bottom of the NIST MS Search Program</li><li>The remaining details are found in my videos with associated handouts on my web page</li><li>EI MS libraries, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/article/4542"><strong>Effective Use of EI Mass Spectral Databases in Unknown Identifications - Part V: Creating and Sharing User EI and MS/MS Libraries</strong></a></li><li>MSMS libraries, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/1367"><strong>LC/MS Unknown Identifications Using MSMS Libraries Part VII: Using and Creating Other MSMS Libraries</strong></a></li></ol><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_How_do_I_add_to_or_create_a_user_library_f7c981e18a.jpg" alt="James Little: How do I add to or create a user library" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_How_do_I_add_to_or_create_a_user_library_f7c981e18a.jpg 245w," sizes="100vw" width="874" height="186"></p><h4><strong>8) Initial Settings for NIST Search V3.0 in EI and MSMS (tandem) Modes</strong></h4><ul><li>There are many settings to setup when first using NIST MS Search</li><li>After setup, user saves as a configuration which makes easy to restore if changed during processing</li><li>EI Quick Start Guide for Settings <a target="_blank" rel="noopener noreferrer" href="https://littlemsandsailing.com/wp-content/uploads/2024/12/Library_Settings_EI.pdf"><strong>Link</strong></a></li><li>MSMS (tandem) Quick Start Guide for Settings <a target="_blank" rel="noopener noreferrer" href="https://littlemsandsailing.com/wp-content/uploads/2024/11/My-Tips-plus-NIST-Quick-Start-Guide.pdf"><strong>Link</strong></a></li></ul><h4><strong>9) Agilent OpenLab Help &amp; Learning</strong></h4><ul><li>Great resource for a large group of topics</li><li><a target="_blank" rel="noopener noreferrer" href="https://openlab.help.agilent.com/">https://openlab.help.agilent.com/</a></li><li>After choosing language, e.g., one can find information on library search</li><li><a target="_blank" rel="noopener noreferrer" href="https://openlab.help.agilent.com/en/index.htm#t=mergedProjects%2FDataAnalysis%2FUseMSlibrarysearch.htm">https://openlab.help.agilent.com/</a></li><li>Easily search for useful topics, e.g., look for information on AIA netCDF file export as shown below on right side of screen</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/James_Little_Agilent_Open_Lab_Help_and_Learning_4f3dece387.jpg" alt="James Little: Agilent OpenLab Help &amp; Learning" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_James_Little_Agilent_Open_Lab_Help_and_Learning_4f3dece387.jpg 243w," sizes="100vw" width="1143" height="732"></p>

Using NIST MS Search with Agilent OpenLab Software for Unknown Identifications

Article

Events

Academy

Video

Scientists

Science and research

RECETOX (Research Centre for Toxic Compounds in the Environment) is an independent department of the Faculty of Science of Masaryk University in Brno, which has been established in 1983. RECETOX is focused on the research and education in cross-cutting area of Environment and Health. It addresses interactions among chemicals, environment, and biological systems, including consequences at local, regional, and global levels.

RECETOX - Centrum pro výzkum toxických látek v prostředí

The Multidimensional Chromatography (MDC) Workshop draws experts in this exciting field to share and discuss their research.

The Multidimensional Chromatography (MDC) Workshop

My main interest is the identification of organic compounds by mass spectrometry in organic mixtures.

James Little/Mass Spec Interpretation Services

Agilent Technologies

Phenomenex

Thermo Fisher Scientific

Waters Corporation

<p>Solid Phase Extraction (SPE) is a highly selective sample preparation technique that can be used to separate the analytes of interest from your matrix so they can be more readily analysed, and don’t cause problems with HPLC and GC column lifetime due to dirty samples. This webinar explains the terminology commonly used in SPE, common formats and extraction modes and then uses this information to explain how to develop and optimise SPE methods in your lab.</p>
<h3><strong>Key Learning Objectives:</strong></h3>
<ul>
<li>Understand the terminology used in SPE method development</li>
<li>Learn the different product formats and stationary phases available, and where they should be used in SPE methods</li>
<li>How to develop and optimise an SPE method</li>
</ul>


Phenomenex: The Basics of Solid Phase Extraction

The Basics of Solid Phase Extraction

<p><strong>The trend for multi-residue pesticide analysis is towards faster, simpler, more generic methods of extraction with minimal, if any, clean-up to facilitate higher sample throughput. But this approach can result in extracts with high levels of matrix co-extractives, which will inevitably lead to faster contamination of LC–MS/MS and especially GC–MS/MS systems.</strong></p>
<p>The reluctance to use a cartridge SPE clean-up step most likely results from the time required for manual procedures and time taken to achieve the optimum balance between removal of co-extractive without loss of analytes.</p>
<p>This webinar will highlight an automated optimized online miniaturized cartridge clean-up approach providing more effective clean-up of QuEChERS extracts to overcome the analytical challenges faced by laboratories undertaking pesticides residues analysis.</p>
<h3><strong>Key Learning Objectives:</strong></h3>
<ul>
<li>Understand the configuration, operation, flexibility and ease of use of an automated on-line µSPE setup with GC–MS and LC–MS analysis</li>
<li>Learn how optimized sorbent blends can yield excellent results from GC–MS/MS and LC–MS/MS multi-residue pesticides analysis in different sample types</li>
<li>Discover how µSPE can increase robustness, reduce system maintenance and increase laboratory productivity</li>
</ul>
<h3><strong>Who Should Attend:</strong></h3>
<ul>
<li>Scientists/chemists/analysts involved in pesticide residue analysis</li>
<li>Laboratory manager in food industry and contract testing laboratories</li>
<li>Researchers and method developers interested in automating sample clean-up for residues and contaminants</li>
</ul>
<blockquote>
<p><strong>Presenter:  Dr. Daniela Cavagnino (Product Marketing Manager for Gas Chromatographs and GC Autosamplers in the Applied Analytical Technologies Group, Thermo Fisher Scientific)</strong></p>
</blockquote>
<blockquote>
<p>Dr. Daniela Cavagnino received a Master’s Degree in Chemistry at the University of Milan, Italy. She started her career in gas chromatography at Thermo Fisher Scientific spending several years in the R&amp;D laboratories working on GC technology innovation. Then, she conveyed her technical background into product management and marketing management roles with more than 15 years’ experience in promoting GC/GCMS technology and applications in several different market segments.</p>
</blockquote>
<blockquote>
<p>During her career, she has participated as author and co-author in technical publications and actively operated as lecturer at international conferences.</p>
</blockquote>
<blockquote>
<p><strong>Presenter: Dr. Cristina Jacob (Product Manager of LC TriPlus Autosamplers, Thermo Fisher Scientific)</strong></p>
</blockquote>
<blockquote>
<p>Dr. Cristina Jacob is Product Manager of LC TriPlus Autosamplers at Thermo Fisher Scientific. She received her bachelor’s in chemistry from the University of Évora, Portugal, followed by a Ph.D. in organometallic chemistry from the University of Lisbon, Portugal. Following a postdoctoral appointment at the National Center for Toxicological Research (NCTR) at the US Food &amp; Drug Administration, conducting research in toxicological studies, and at LABERCA, in France, conducting food safety metabolomics studies, she became a Research Scientist at Bioaster’s Metabolomics and Proteomics Technology Unit, in France. Dr. Jacob then moved to the United States as a visiting scientist at US FDA NCTR where she worked on the development of mass-spectral based analytical methodologies to elucidate mechanisms of toxicity before joining the TSQ Product Management team at Thermo Fisher Scientific in 2018.</p>
</blockquote>
<blockquote>
<p><strong>Presenter: Richard Fussell (Global Marketing Manager, Food and Beverage, Thermo Fisher Scientific)</strong></p>
</blockquote>
<blockquote>
<p>Before joining Thermo Fisher Scientific in 2014, Richard gained extensive analytical experience working for the UK government. This includes 21 years at the Food and Environment Research Agency, York, UK, where he was an Advanced Research Fellow and Senior Scientist focused on the evaluation and implementation of emerging chromatography and mass spectrometry techniques for the analysis of pesticides, veterinary medicines and contaminants in food and the environment. He has served on various national and international committees and has published more than 50 articles in the peer reviewed literature.</p>
</blockquote>


Pixabay/Jan Amiss: "Ask The Expert" Webinar: Automated online µSPE clean-up to improve efficiency, robustness and productivity in LC- and GC-MS/MS analysis of pesticide residues

"Ask The Expert" Webinar: Automated online µSPE clean-up to improve efficiency, robustness and productivity in LC- and GC-MS/MS analysis of pesticide residues

<p><strong>Learn how to select and implement sample preparation like SPE and QuEChERS to meet the requirements of today’s environmental analysis. While considering sample prep, we will also go into detail about careful consideration needed in selection and use of all consumables in the chromatography workflow. We will present new innovations for varying applications including automation as well as optimizing your GC analysis.</strong></p>
<blockquote>
<p><strong>Presenter: Jessica Netzer (Applications Scientist, Chromatography Columns and Consumables, Thermo Fisher Scientific)</strong></p>
</blockquote>
<blockquote>
<p>Jessica loves sample preparation. She is an experienced applications scientist at Thermo Fisher Scientific where she supports customers with solutions for LC, GC, and sample prep. Jessica is an analytical chemist with over 15 years of experience in chromatography techniques, method development, and method validation in pharmaceutical and environmental laboratories.</p>
</blockquote>
<blockquote>
<p><strong>Presenter: Daniela Cavagnino (Product Marketing Manager, Thermo Fisher Scientific)</strong></p>
</blockquote>
<blockquote>
<p>Daniela received her Master’s degree in Chemistry at the University of Milan, Italy. She started her career in gas chromatography at Thermo Fisher Scientific, spending several years in R&amp;D working on GC technology innovation. She then conveyed her technical background into product management and marketing management roles with more than 15 years of experience promoting GC and GC-MS technology and applications in several different market segments.</p>
</blockquote>


Thermo Scientific - Environmental Webinar Week

Sample Prep Techniques To Improve Your Environmental Analysis

<p><strong>Quantification of trace levels of pesticides in food can be challenging. Identifying residual pesticides in complex matrices requires adequate sample workup and appropriate instrumentation.</strong></p>
<p>Agilent offers a comprehensive workflow for pesticide screening and quantitation by combining QuEChERs sample preparation and multi-platform GC/MS analysis. This presentation will cover the workflows utilizing GC/MSD for pesticide screening and quantitation, targeted pesticide screening with enhanced sensitivity and selectivity with GC/TQ, and comprehensive trace-level screening and quantitation with retrospective analysis capabilities with high-resolution accurate mass analysis using GC/Q-TOF.</p>
<p><strong>Key Learning Objectives/What attendees will learn:</strong></p>
<ul>
<li>Suspect screening and quantitation by GC/MSD</li>
<li>Targeted selective and sensitive quantitation by GC/TQ</li>
<li>Trace level screening and quantitation by GC/Q-TOF</li>
</ul>
<p><strong>Who Should Attend:</strong></p>
<p>Food scientists and chemists interested in pesticide analysis by GCMS</p>
<blockquote>
<p><strong>Presenter:</strong> Erinn O&#39;Neill (GCMS Applications Scientist, Agilent)</p>
</blockquote>
<blockquote>
<p>Erinn O’Neill is a GCMS Pre-Sales Application Scientist for Agilent in Wilmington, Delaware. She graduated from the University of North Carolina at Chapel Hill with a Ph.D. in Chemistry in 2019, where she focused on identifying novel chemical structures synthesized by plant-pathogenic bacteria. Before that, she obtained a Bachelor’s degree in Chemistry from Drew University in New Jersey, where she studied reactions between atmospheric aerosol surrogates and trace pollutants.</p>
</blockquote>


Agilent: A multi-platform approach for screening and quantitating pesticide residues in food

A multi-platform approach for screening and quantitating pesticide residues in food

This presentation will cover the workflows utilizing QuEChERs sample preparation and GC/MSD for pesticide screening and quantitation.

Screening and quantitating pesticide residues in food

<p><strong>Key Learning Points:</strong></p>
<ul>
<li>Learn how to approach analyzing for PFAS, it is not rocket science like they made it out to be</li>
<li>Become aware of Sporadic PFAS Contamination</li>
<li>Understand how to identify false positives</li>
<li>Require all analysis quality control and samples to be analyzed in replicates to identify false positives</li>
</ul>
<p><strong>Who Should Attend:</strong></p>
<ul>
<li>Anyone who is new or has used Quechers and needs to have an update and an insight on Quechers method</li>
</ul>
<blockquote>
<p><strong>Presenter:</strong> Duilio Romanello (Senior Technical Specialist, Phenomenex)</p>
</blockquote>
<blockquote>
<p>Duilio Romanello graduated with his Bachelors of Science in Pharmaceutical Chemistry and Technology from University of Bologna. Duilio then joined Phenomenex in 2008 as an Inside Technical Sales Consultant becoming Team Leader in Italy for GC/SPE in 2010 and then for the Environmental &amp; Food Team. Since 2016 he has been covering the role of  Account Manager for the South of Italy working remotely and acting as GC Specialist. Since November 2023 he is Senior Technical Specialist for the Technical team at Phenomenex.</p>
</blockquote>


Phenomenex: Quechers 101: Background and Updates

Quechers 101: Background and Updates

Learn how to approach analyzing for PFAS, it is not rocket science like they made it out to be

<p><strong>Key Learning Points:</strong></p>
<ul>
<li>Understand the benefit of using SPE than other sample preparation techniques </li>
<li>Learn the basic protocol for SPE method and separation modes</li>
<li>Dig into reverse phase SPE typical protocol, and solid phase extraction media</li>
</ul>
<p><strong>Who Should Attend:</strong></p>
<p>Anyone beginning with solid phase extraction (SPE) technique, or anyone struggling with method sensitivity</p>
<blockquote>
<p><strong>Presenter:</strong> Grace Guo (Senior Technical Specialist, Phenomenex)</p>
</blockquote>
<blockquote>
<p>Grace Guo graduated from the Johns Hopkins University with a Master’s degree in Material Science and Engineering. She joined Phenomenex Technical Team in 2017 providing technical support globally. With more than 8 years of experience on SPE, HPLC and GC, she delivered 50+ seminars and webinars globally covering food and environmental, clinical, pharma and biopharma industry. </p>
</blockquote>


Phenomenex: Solid Phase Extraction Introduction and Theory

Solid Phase Extraction Introduction and Theory

Understand the benefit of using SPE than other sample preparation techniques.

<p><strong>Who Should Attend:</strong></p>
<p>Anyone new to SPE who wants to get familiar with the basics of SPE method development.<br/>Anyone who has a basic understanding of SPE and would like to learn how to improve their extractions. </p>
<p><strong>Key Learning Points:</strong></p>
<ul>
<li>Understand how to develop SPE methods from start to finish.</li>
<li>Receive general methods to use as starting points.</li>
<li>Learn when and how to optimize SPE methods, and discover new tips and tricks to make SPE method development easier.</li>
</ul>
<blockquote>
<p><strong>Presenter:</strong> Koen Askamp (Technical Specialist, Phenomenex)</p>
</blockquote>
<blockquote>
<p>Koen Askamp is a Technical Specialist at Phenomenex. He was awarded his BSc and MSc degrees in Molecular Life Sciences at Wageningen University in the Netherlands and joined Phenomenex in 2020 as Technical Sales Consultant. Koen became part of Phenomenex’s global technical support team in 2022 and assists laboratories in training chromatographers and developing analytical methods. </p>
</blockquote>


Phenomenex: Solid Phase Extraction Method Development

Solid Phase Extraction Method Development

Learn when and how to optimize SPE methods, and discover new tips and tricks to make SPE method development easier.

<h4><strong>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</strong></h4><p>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.</p><h5><strong>Why attend?</strong></h5><ul><li><strong>Comprehensive Learning:</strong> Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li><strong>Expert Insights:</strong> Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li><strong>Regulatory Compliance:</strong> Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3><strong>Episode #5: General Sample Preparation | F&amp;E Summer School - Day 2 - Module 1</strong></h3><p>Sample preparation is a key aspect in the analytical workflow and heavily determines the quality of the analysis. Solid Phase Extraction is a fundamental sample preparation technique widely used across all areas of analytical chemistry. Whether new to SPE or seeking a refresher, this webinar will introduce the basics of sample preparation and provide practical insights and technical background on the benefits when choosing SPE over another form of sample preparation, especially for analytes in complex matrices, such as the ones often encountered in Food and Environmental analysis. Join us in exploring SPE key parameters and best practices for implementing successful SPE methods. The session will combine PowerPoint slides with videos describing good practices and showing a practical example on the complex analysis of PFAS.</p><p>Our guest speaker Chiara Sarti from Cranfield University, Bedford UK, will share her research results on the work with new dual layer cartridges to extract PFAS from different environmental samples.</p><h5><strong>What you'll learn:</strong></h5><ul><li>Understanding SPE fundamentals</li><li>Making SPE simple with water-wettable sorbents</li><li>Verifying successful SPE implementation</li></ul><blockquote><p><strong>Presenter:&nbsp;</strong>Xavier Rodríguez (Business Development Manager Chemistry Group, Southern Europe, Waters)</p><p>Xavier is part of the European Market Development Team. He works as an Application Specialist with focus on sample prep and has more than 20 years of experience in solving sample prep challenges.</p><p><strong>Presenter:&nbsp;</strong>Chiara Sarti (Ph.D. Student, Department of Chemistry "Ugo Schiff", University of Florence)</p></blockquote>

Waters Corporation: The Waters 2024 Virtual Summer School

General Sample Preparation

Join us in exploring SPE key parameters and best practices for implementing successful SPE methods. 

<h4><strong>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</strong></h4><p>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.</p><h5><strong>Why attend?</strong></h5><ul><li><strong>Comprehensive Learning:</strong> Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li><strong>Expert Insights:</strong> Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li><strong>Regulatory Compliance:</strong> Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3><strong>Episode #6: Automated Sample Preparation | F&amp;E Summer School - Day 2 - Module 2</strong></h3><p>This Module builds on the previous one by adding automation to the sample preparation methods. The Andrew+™ pipetting robot offers fully automated liquid handling using electronic pipettes and labware holders called Dominos for a full walk-away automation solution.</p><p>Creating the connected laboratory, Andrew+ is part of the OneLab™ ecosystem, executing laboratory protocols designed in OneLab software. This flexible architecture enables you to effortlessly transition from laborious manual pipetting procedures to error-free, fully-robotized lab workflows – without any knowledge of programming, laboratory robotics or automation engineering. and explains processes the Andrew+ pipetting robot can take over in your lab.</p><p>The European Union has adopted Commission Recommendation (EU) 2022/1431 to monitor PFAS in fruits, vegetables, milk and baby food. To achieve quantification at lowest levels of PFAS in food matrices, sample preparation is required which comprise of many pipetting steps and can be time-consuming and error prone. We will demonstrate an automate workflow for the analysis of PFAS in milk using a pipetting robot and stacked dual-phase SPE cartridges to meet EU 2022/1431 levels.</p><h5><strong>What you'll learn:</strong></h5><p>Possibilities to automat liquid handling processes in LC and LC-MS e.g.</p><ul><li>Serial dilution</li><li>Calibration curve</li><li>Solid Phase Extraction (SPE)</li></ul><blockquote><p><strong>Presenter:&nbsp;</strong>Xavier Rodríguez (Business Development Manager Chemistry Group, Southern Europe, Waters)</p><p>Xavier is part of the European Market Development Team. He works as an Application Specialist with focus on sample prep and has more than 20 years of experience in solving sample prep challenges.</p><p><strong>Presenter:&nbsp;</strong>Daniel Ng PhD (Principal Scientist, Waters Corporation)</p><p>Daniel Ng received his PhD from the University of Manchester in mass spectrometry proteomics. He worked for 5 years at the Waters mass spectrometry headquarters in Wilmslow, UK, as a service support development engineer specializing in mass spectrometry instrumentation. In 2019, he took up a new role as a principal scientist at the International Food and Water Research Centre (Waters) in Singapore focusing on using advanced instrumentation to answer analytical challenges in the food and water industry. Since 2023, Daniel has lead the Food, Environmental and Material Science Analytical Professional Service team in the Asia-Pacific Region, developing analytical solutions to meet key challenges that customers face.</p></blockquote>

Automated Sample Preparation

The Andrew+™ pipetting robot offers fully automated liquid handling using electronic pipettes and labware holders.

GCMS webinars focusing on SPE | LabRulez GCMS