University of Cambridge
Abstract
We have developed a modular software system that enables researchers to monitor and control chemical reactions via the Internet, using any device from any location in the world. It facilitates the automation of synthetic procedures and is able to autonomously self-optimize reaction parameters to find the best conditions meeting customizable, multicomponent optimization functions. In this report, we demonstrate its utility as applied to reaction automation to maximize the output from a fixed volume of catalyst. We also showcase its ability to optimize a three-dimensional heterogeneous catalytic reaction and a five-dimensional Appel reaction against various target functions.
In this publication, the Advion expression Compact Mass Spectrometer (CMS) was paired with a flow reaction system for simple reaction monitoring.
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: The Liverpool School of Tropical Medicine (LSTM) is dedicated to research and teaching on tropical diseases. We are helping improve the health of some of the poorest people in the world by carrying out scientific research and developing treatments that will directly benefit them.
Specifically, I work in the department of parasitology, where our focus is on the key tropical parasites such as malaria, TB and filarial worms.
Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?
A: The expression was originally purchased to save us from a 15-minute walk to get simple MS data at the University’s main analytical service. Also, it is compact and very easy to use, you do not need to be an expert in MS to generate very useful and meaningful data.
Q: HOW DO YOU USE THE EXPRESSION CMS?
A: We use the expression in the direct injection configuration for checking whether reactions have worked and whether the next purification and/or reaction steps are worth proceeding.
Before we got the expression, we either had to walk across campus to use the central service or continue without any knowledge as to whether our reactions had worked. The expression saves us time and boosts our overall research performance.
I am also planning to use it for some simple metabolism studies in the near future.
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: At SynZeal Research Pvt Ltd, with state of the art synthesis laboratory, we are focused on custom synthesis of high purity secondary reference standards of API Impurities and metabolites. SynZeal also provides chemistry research services and products to synergize the drug discovery and development.
Q: WHAT PREVIOUS WORKFLOW CHALLENGES DID YOU EXPERIENCE?
A: The major challenge to our workflow is to have fast decision on success or failure of targeted chemical transformation to decide further course of action and to complete the projects on time.
Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?
A: We selected expression CMS as one of the affordable alternative for Mass Spectroscopy which can be operated even by an inexperienced person in mass spectrometry. Our productivity was increased many fold after installation of this system.
With decades of mass spectrometry and chemistry expertise, Advion Interchim Scientific has produced a family of compact mass spectrometers designed for the chemist. The affordability, small size and ease of use make them ideal for use directly at the chemist’s bench, giving immediate answers and informed decisions instead of waiting.
The Advion Interchim Scientific expression® compact mass spectrometer (CMS) is a fast and easy analytical tool for the organic chemist. Ideal for fast reaction monitoring, the expression® CMS features a single quadrupole that can adapt to multiple ionization sources in seconds, including both ESI and APCI. The mass spectrometer works in a variety of applications, including food and beverage, pharmaceutical, biomedical, peptides and proteins, drug discovery and more. The expression® CMS offers a variety of novel sampling techniques, including:
- Direct mass analysis of TLC plates in 30 seconds at the push of a button with Plate Express™
- One-touch analysis of solids and liquid samples with the ASAP® probe
- LC/CMS
- Many more options and configurations to suit your needs
Learn more about the different sample techniques available with the expression® CMS, including fast assay methods for liquids, solids, gases, and even air-sensitive compounds.
Fill out the form to download the full expression® CMS brochure now.
Quantitation of Perchlorate by Ion Chromatography with Suppressed Conductivity on the expression CMS
Perchlorate is a synthetic chemical that is used in the manufacture of rocket fuel, fireworks, flares and explosives, and can also be present in bleaches and some fertilizers [1]. The EPA has devised drinking water regulations for Perchlorate to minimize its impact on human health and the environment.
Achieving lower analytical detection limits for Perchlorate in environmental matrices such as drinking water allows regulatory bodies like the EPA make better informed decisions on the degree of contamination of an environmental system, as well as the remedial actions required to limit adverse health and environmental effects.
The expression Compact Mass Spectrometer (CMS) provides lower detection limits and greater selectivity for Perchlorate compared to a conductivity detector (CD). The typical detection limit of a CD is in the mid to high-ppb range, the CMS can detect < 20 ppt.
Via Direct Injection using a Compact Mass Spectrometer with extended mass range (CMSL)
The CMSL is a high performance, easy to use, single quadrupole mass spectrometer with an extended mass range analysis capability to m/z 2000 — ideal for large molecule applications such as the analysis of proteins. Its small footprint makes it the instrument of choice for space-restricted laboratories and is more affordable than comparable MS systems. The CMSL brings the analytical benefits of mass spectrometry to more scientists than ever before.
Register to download the application note and see how direct injection with the expression CMSL is a fast, powerful, yet simple tool to determine, confirm or characterize the mass of a relatively pure protein analyte.
Q: What is the focus of your lab’s research?
A: The mass spectrometry facility here at Boston College’s main focus is as a core lab, open to all users, both undergraduate and graduate students alike.
Our main research interests include the application of mass spectrometry as a routine tool for chemistry/chemical biology; exploring new research applications for mass spectrometry; and the use of open-air ionization methods for the analysis of pharmaceutical, biological, drug and chemical analysis.
Q: What was your previous work flow or challenges?
A: As a core lab we have a large number of samples being run and there is a constant need to change ionization sources.
Q: Why did you incorporate the expression® CMS into your laboratory?
A: The expression® has allowed us to take the workload of the other more expensive instruments by incorporating it as an open access instrument. With minimal training, the students are able to run their own samples, as not to slow down their research.
Due to the instrument size and speed at which it pumps down, we are able to move the instrument directly to the classroom for students to use.
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: During conventional lipodomics research, information is lost during the extraction when lipids get dissociated from the lipoprotein particles. We are developing methods to gather information about lipoproteins while looking at the lipid through online liquid/liquid extraction using the expression CMS as the detector.
Q: WHAT PREVIOUS WORKFLOW CHALLENGES DID YOU EXPERIENCE?
A: The previous method of fraction collection took a lot of time and a lot of work.
Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?
A: The CMS is a rugged instrument and allows us to manipulate liquid/liquid extractions and modify parameters such as salt buffers. It is a very simple to use system. Other mass spectrometers are complicated, so if something goes wrong in the method development process; it takes a lot of effort to get the system back up and running. The CMS is easy to clean and can be back running in a short amount of time.
Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION CMS?
A: I recommend the CMS to anyone interested in method development especially those that are not easily amenable to mass spectrometry, because it is so easy to run and maintain.
Q: WHAT IS THE FOCUS OF YOUR LAB’S RESEARCH?
A: The central activity of our group is to design and develop molecules to study and control biological systems. We are using organic and organometallic synthesis to construct new bioactive compounds, new agents for bioconjugation, and new probes for biology. Our focus is to apply chemistry to biology by identifying targets and then creating cancer treatment strategies and therapy options.
Q: WHAT PREVIOUS WORKFLOW CHALLENGES DID YOU EXPERIENCE?
A: For identification and analysis, we use NMR and HPLC regularly, but had no mass spectrometer in the laboratory, so we gave our samples to outside MS service for analysis. Therefore, we had to wait for the results.
Q: WHY DID YOU INCORPORATE THE EXPRESSION CMS INTO YOUR LABORATORY?
A: Advion’s CMS allows us to have a self-service option. One ingenieur is in-charge of the CMS, but everyone can use it including students after a short formation. And for 80% of our work it is perfect. We still use the MS facility for more demanding analysis, but this new workflow speeds up our process significantly.
Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION CMS?
A: I would recommend the CMS to any small or large organization like ours who wants fast answers for day-to-day analysis.
Q: What is the focus of your labs research?
A: Our main research interest is to use mass spectrometry as a routine tool for synthetic intermediates.
Q: What previous workflow challenges did you experience?
A: As we have large numbers of products to run, our major workflow issue is to shorten product detection times.
Q: Why did you incorporate the expression® CMS into your lab?
A: As an open-access instrument, the expression® CMS allows us to incorporate with other instruments with a compact size. More important, it helps us to know the molecular weight information of products timely.
