Explore how the expression CMS has been used by the Drug Discovery Unit at the University of Dundee. Learn how the medical chemistry team has integrated the instrument in to their everyday workflow. The team required a system with a small footprint that can be moved between labs, but was still capable of integrating with systems in their well-equipped laboratories. The expression CMS fit the needs of the organization and increased efficiencies in the lab.
Determination of emerging nitrogenous economic adulterants in milk proteins by high-performance liquid chromatography/compact mass spectrometry
J. Draher, S. Ehling, N. Cellar, T. Reddy, J. Henion, N. Sousou Rapid Commun. Mass Spectrom. 2016, 30, 1265–1272
Milk-derived ingredients are widely used around the world in the manufacturing of nutritional products. They are prone to economically motivated adulteration with nitrogenous compounds such as melamine and its analogs in order to increase the nitrogen content of these ingredients. The need to rapidly screen milk-derived ingredients to detect adulteration is of paramount public health concern. A liquid chromatography/mass spectrometry (LC/MS)-based method using a single quadrupole mass spectrometer has been developed for the rapid frontline analysis of six nitrogenous protein adulterants, i.e. melamine, ammeline, ammelide, amidinourea, cyromazine and cyanuric acid, in three key milk-derived ingredients, i.e. whole milk powder, nonfat milk powder and whey protein concentrate.
University of North Carolina, Biomedical Research Imaging Center (BRIC)
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: My research at the Biomedical Research Imaging Center (BRIC) focuses on the development and validation of novel radiolabeling methods and multimodality molecular imaging probes for various diseases, including cancer, diabetes, neuro-disease, and cardio vasculature disease. To be more specific, the major efforts of my current research include: 1) developing novel radiochemistry for cancer diagnosis, neuroimaging, cardiac imaging, diabetic research, drug discovery and development, and targeted radionuclide therapy; 2) developing multimodality molecular imaging agents; 3) developing novel nanotechnology and studying its biomedical applications; 4) developing pre-targeted drug delivery system for cancer imaging and therapy; and 5) performing PET related translational research.
Q: WHAT WAS YOUR PREVIOUS WORK FLOW OR CHALLENGES?
A: Sometimes we have a reaction, and we do not know which peak contained the product, so we send the sample to the mass spectrometry facility to be analyzed. Additionally, there are times when we have 10-20 peaks, and it is impossible to collect them all to be sent.
Q: WHY DID YOU INCORPORATE THE EXPRESSION® CMS INTO YOUR LABORATORY?
A: The convenience of having a mass spectrometer in our laboratory means that we can increase working efficiencies by not waiting 2-3 days for results from the LC lab. The expression® CMS is a good system for routine analysis.
Q: TO WHOM WOULD YOU RECOMMEND THE EXPRESSION® CMS?
A: I recommend the expression® CMS to any traditional organic and radiochemistry laboratory. I am impressed by the smaller size and by how simple it is to operate. We were able to use it quickly.
Benjamin List, Max-Planck-Institut für Kohlenforschung, Department for Homogeneous Catalysis
2021 Nobel Prize in Chemistry Recipient
October 6, 2021: The Royal Swedish Academy of Sciences has decided to award the Nobel Prize in Chemistry 2021 to:
- Benjamin List • Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany
- David W.C. MacMillan • Princeton University, USA
“for the development of asymmetric organocatalysis”
Building molecules is a difficult art. Benjamin List and David MacMillan are awarded the Nobel Prize in Chemistry 2021 for their development of a precise new tool for molecular construction: organocatalysis. This has had a great impact on pharmaceutical research, and has made chemistry greener.
Benjamin List, a true leader in chemistry, is an exceptional user of the expression® Compact Mass Spectrometer in the List Research Group. Read his full interview featuring the Nobel Prize announcement here.
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: Our group focuses on the development of new catalysis concepts within the areas of organocatalysis, transition metal catalysis, and, to some extent, biocatalysis. Since 1999, our group concentrates on enantioselective organocatalysis as a fundamental approach complementing biocatalysis and transition metal catalysis. We have a profound interest in developing “new reactions”, designing and identifying new principles for the development of organocatalysts, expanding the scope of already developed catalysts, using organocatalysis in the synthesis of natural products and pharmaceuticals, and also investigating the mechanism by which organocatalysts activate their substrates. Furthermore, in 2005 our group has first conceptualized another approach to asymmetric catalysis, namely asymmetric counteranion directed catalysis (ACDC). This idea has not only progressed within the department but also at other institutions around the globe into a general strategy for asymmetric synthesis applied in organocatalysis as well as in transition metal catalysis and Lewis acid catalysis.
Q: WHATE WAS YOUR PREVIOUS WORK FLOW OR CHALLENGE?
A: The design and development of new asymmetric catalysts usually requires finding novel synthesis routes. Real-time characterization of the desired products and side products in the synthesis of new catalysts and precursors as well as in the exploration of novel reactions is thus very important with regard to saving time and costs.
Q: WHY DID YOU INCORPORATE THE EXPRESSION® CMS INTO YOUR LABORATORY?
A: We wanted an analytical method that allows a rapid characterization of reaction products combined with the lowest effort of sample preparation. The expression® Compact Mass Spectrometer coupled with Plate Expres® is the method of choice to provide reliable mass data directly from TLC plates and ASAP® (Atmospheric Solids Analysis Probe) allows for direct analysis from solutions and solid substances without any sample preparation. In addition, the easy and fast possibility of changing the ion sources between ESI and APCI gives us a wide range of options to characterize our analytes from non-polar to very polar compounds in both positive and negative mode simultaneously.
Q: TO WHOM WOULD YOU RECOMMEND THE EXPRESSION® CMS?
A: We recommend the expression® Compact Mass Spectrometer coupled with Plate Express® to any group with a focus on organic synthesis for usage as a routine tool to monitor chemical reactions.
Chemically Tracking Spoilage of Meat Using Volatile Mass Spectrometry
This application note demonstrates the use of the Advion Interchim Scientific expression® CMS (compact mass spectrometer) coupled with a volatile APCI (vAPCI) ion source to directly detect several key chemicals given off of meat as it spoils at ambient temperature. Evolution of putrescine, cadaverine, and indole were measured over several days as meat spoiled.
Protein Analysis via LC/CMS with Automated Charge State Deconvolution
The Advion deconvolution algorithm employs a combination of predictive charge envelope generation, overlap calculation with actual MS data acquired utilizing a maximum entropy goodness of fit approach followed by artifact removal through determination of peak significance. This novel approach allows for a rapid deconvolution over a wide mass range in seconds. It also allows a neutral mass output where the absolute signal intensity is directly correlated to the MS raw data signal intensity and analyte concentration in solution.
Center for Free-Electron Laser Science (CFEL), Hamburg, Germany
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: The lab’s research focus is time-resolved crystallography of proteins. Many of the catalytic processes involved occur too rapidly for us to study effectively. Therefore, we use our synthetic chemistry lab to prepare photosensitive compounds called photocages which can be incorporated into the proteins to inhibit or hinder reactions. Because they are photosensitive, they enable us to control reaction speed, making the study of these catalytic processes possible.
Q: WHAT WAS YOUR PREVIOUS WORK FLOW OR CHALLENGE?
A: Previously I was working in pure organic chemistry and other related disciplines such as supramolecular chemistry and organocatalysis. So it was quite challenging to move into the crystallography field in a campus like Deutsches Elektronen-Synchrotron (DESY) where there is almost no organic chemistry research undertaken.
Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?
A: On the DESY campus there’s no chemistry department and, as a consequence, no instrumentation for the qualitative nor quantitative determination of organic compounds. With the Advion compact mass spectrometer we are now able to follow the process of most of our reactions which greatly facilitates our research.
Q: TO WHOM WOULD YOU RECOMMEND THE EXPRESSION CMS?
A: Organic chemists who are working continuously in the lab for the quick and easy determination of small molecules.
Albert-Ludwigs-University, Freiburg, Germany
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: We investigate ionic systems to the fullest extent, both experimentally and theoretically. In doing so, we want to understand and exploit the fundamental principles that determine the behaviour of such systems.
Q: WHAT WAS YOUR PREVIOUS WORK FLOW OR CHALLENGES?
A: For sample analysis we use NMR, vibrational Spectroscopy and X-Ray Diffraction along with electrochemical measurements in our laboratory. However, for mass spectra the samples had to be given to the MS service of the chemistry department. This led to noticeable waiting times, so no reaction monitoring was possible. Also, some of the compounds usually lead to large memory effects and are therefore rather ‘unpopular’ at the MS service. Furthermore, a large part of the compounds we synthesize are air sensitive and could not be measured at all.
Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?
A: With the expression CMS in our laboratory we can now use mass spectrometry as a standard analysis tool for reaction monitoring. PhD Students can measure their own samples directly after synthesis. They can even change the ion source on their own according to the nature of their samples. Samples with large memory effect are no longer problematic, as the inlet capillary can easily be cleaned. A major advantage is that we can now analyse highly air-sensitive compounds without difficulty and outside a glove box.
Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION CMS?
A: We would recommend the expression CMS to anyone who wants to implement MS as a fast and easy to operate standard method within their own lab.
University of Ljubljana, Slovenia
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: In our Department of Medicinal Chemistry we have focus on the synthesis of novel molecules with biological activity. We synthesize molecules of natural origin, peptides and heterocyclic compounds. As integral part of the department’s work we also do drug analysis.
Q: WHAT WAS YOUR PREVIOUS WORK FLOW OR CHALLENGES?
A: The modern Faculty of Pharmacy provides state-of-the art analytical techniques. We have a 400 MHz NMR in our department and access to 600 MHz and 800 MHz NMRs in the Infrastructural Centre. Furthermore, we routinely use FT IR, DAD HPLC. At one point biggest bottleneck was MS, as we had access to HRMS, but we did not have MS in our department for routinely use in synthesis and analytical procedures.
Q: WHY DID YOU INCORPORATE THE EXPRESSION® CMS INTO YOUR LABORATORY?
A: We thought that a robust, easy to use MS would be most useful in our laboratory to make our work faster and most efficient. Versatile use, simple use of various ion sources, and direct application of samples from TLC or use of dissolved samples, were possibilities which persuaded us.
Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION® CMS?
A: We would recommend the expression® CMS to every medicinal chemistry department, who would use MS in a daily routine from undergraduate students to post-docs. Doing MS analysis is now a common and integral part of our work as well as doing TLC-MS-coupling with the Plate Express™. It is an excellent way for entry level to mass spectrometry, because of simple use, robustness and good results of analysis.
Polish Academy of Sciences, Warsaw, PL
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: The group has extensive experience in host-guest chemistry. We are seeking novel supramolecular platforms/systems, in particular macrocyclic systems, which might find applications in the recognition of ionic and neutral guest molecules. The research consists of two main parts: synthesis of novel receptors and analysis of their supramolecular assemblies. The formation of supermolecules is monitored and analyzed by NMR, UV-vis and fluorescence spectrometry. X-ray analysis is used to determine structure of receptors and their complexes. We also work with dynamic combinatorial libraries (DCL) and occasionally synthesize isotopically labeled compounds.
Q: WHAT WAS YOUR PREVIOUS WORK FLOW OR CHALLENGES?
A: In the synthesis of molecules of complex structures we need fast and reliable feedback about the success of each synthetic step. For example, macrocyclisation reactions sometimes give very complex mixtures. In order to follow the reaction course and facilitate purification, we need a fast tool for the unambiguous confirmation in which TLC spot is the desired product. Also, distinguishing between [1+1] and [2+2] macrocycles is not possible by simple NMR measurements and for new dynamic combinatorial libraries any HPLC characterization method required validation by an LC-MS in the service laboratory which takes time.
Q: WHY DID YOU INCORPORATE THE EXPRESSION® CMS INTO YOUR LABORATORY?
A: We needed a versatile tool to speed up our synthesis processes and facilitate purification protocols. The expression® CMS is mainly applied with Plate Express™ for fast compound identification from TLC plates. Now the choice of synthetic protocol can be evaluated within minutes. The product unambiguously spotted on the TLC plate is much easier to isolate. In addition, whenever needed we connect CMS to our HPLC system to analyze complex mixtures and to validate the analytical protocols. Isotope composition of labeled compounds is also easy to follow using this system.
Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION® CMS?
A: We would recommend it to all groups dealing with synthesis of small molecules. The instant feedback about the reaction progress and aid in isolation of the product saves a lot of time. With the expression® CMS, the group is more independent, using the system as a stand-alone unit, coupled to the TLC plate reader or LC-system when needed.