Chemometrics – trailblazing research!
LIFE’s elite research area for chemometrics
Chemometrics. A name worth noting as it is a field of research which is currently storming ahead. LIFE – Faculty of Life Sciences has therefore established an elite research area which is undoubtedly the best in the world.
Researchers and students from all over the world come to LIFE for an update on the latest advances, and LIFE researchers are in increasing demand as speakers at various universities worldwide.
More than 20 researchers are working in LIFE’s elite research area for chemometrics, primarily focusing on improving food quality as well as food and pharmaceutical production.
However, the group of researchers is also working hard on developing methods for diagnosing cancer far earlier than is possible today and to increase our understanding of the complex factors responsible for developing diabetes and obesity.
We asked anchorman Professor Rasmus Bro seven key questions about the elite research area:
• Where is research within chemometrics currently heading as a field?
• How is LIFE contributing to chemometrics research worldwide?
• Which promising research projects would you otherwise like to mention?
• If the elite research area becomes the projected success in the coming years, what do you hope to achieve?
• How will LIFE students benefit from the elite research area?
• What are your considerations in relation to collaborating with stakeholders such as companies, authorities or others that may have a particular interest in this specific elite research area?
• Where can you follow the elite research area’s results?
• Who is behind the elite research area?
Professor Rasmus Bro:
It is probably important first to explain what chemometrics actually is so people know what we are talking about. Chemometrics is a broadly based scientific discipline which involves extracting and visualising information from complicated chemical systems.
Advanced measurements
Chemometrics is often based on advanced measurements, for example of spectroscopic data, very often measured directly on, e.g., a steak etc. Such measurements generate thousands of figures that reflect the chemical and physical complexity of the sample, a so-called fingerprint.
Figures produce lots of new information
In themselves, the figures do not make a lot of sense, but the mathematical models used in chemometrics can transform the figures into significant parameters such as the concentration of a substance, the tenderness of meat, the risk of contracting cancer, consumer preferences etc.
The explorative element
It means that a single measurement can suddenly provide lots of information, information which is more relevant than with traditional methods. It also means that you can obtain new knowledge about a problem rather than only using hypotheses postulated in advance. This is a very important explorative aspect of chemometrics.
Chemometrics is thus essential in production (e.g. food, pharmacy, oil), in clinical and nutritional studies, in molecular modelling within drugs or food development and in a number of other areas.
At LIFE, it is primarily within food quality and metabolomics (complex biological processes) that chemometrics is used. For example, we use chemometrics to determine the functional properties of pectin or to optimise chocolate production.
However, there are also many other areas which benefit from statistical and mathematical tools. For example, work is being conducted with chemometrics to understand complex processes in the development of diabetes, obesity and other lifestyle-related diseases. Chemometrics is also being used to optimise drugs production or to understand the complexities of polluted soil.
LIFE is leading the way within a number of important areas, such as alignment and tensor or multi-aspect analysis. These are difficult concepts, but the techniques are critical in, for example, metabolomics, which involves measuring a metabolic fingerprint (100s or 1000s of metabolites in e.g. urine) and relating all these measurements to, for example, food intake or illness.
Alignment is used to align chromatographic data to allow a comparison of measurements made on various samples. Tensor models are methods capable of chromatographic separation of measurements mathematically, i.e. the mathematical separation of substances to acquire new and valuable knowledge.
These are just a few of the areas in which LIFE has been a driving force and contributed to profiling the research area internationally.
World’s first PAT programme
It should also be mentioned that when we launched a programme in process-analytical technology (PAT), we were the first in the world to do so, and the initiative was supported by both the US Food and Drug Administration (FDA) and most major pharmaceutical companies.
Process-analytical technology is a new concept which covers methods that have been used increasingly in recent decades. Basically, the PAT programme focuses on new methods such as chemometrics and spectroscopy.
When these are applied for production purposes, processes can be managed and optimised on a rational basis.
A 100% rational basis of assessment
Many processes are controlled with reference to experience, gut feeling and whatever is available. PAT makes it possible to understand and control processes far more effectively and rationally.
This makes it possible to automate and optimise processes and also handle processes when the experienced operators are not present. Novozymes has earlier implemented such methods to be able to immediately and without having to await difficult laboratory analyses ascertain whether the production of an enzyme was running as it should.
Which promising research projects would you otherwise like to mention?
At the moment we are working on a major cancer diagnostics project which is funded by the Villum Foundation. We are using new measuring principles on blood samples and advanced mathematical models to diagnose cancer sooner.
Another interesting project is QbD (Quality by Design); together with Novo Nordisk, Arla, Lundbeck, CMC Biologics, Carometec and others we are seeking to develop better methods for producing, e.g., insulin and cheese of a high and uniform quality.
We have set ourselves many specific targets for the future, but locally you could say that we want chemometrics and multi-aspect analysis to become known and popular throughout most of LIFE. Once that has been achieved, we will have the desired impact.
Our methods are not relevant to everybody, but we believe that many, many more people would benefit and want to work with us if they knew more about what we have to offer. We are also convinced that new synergies and research areas would emerge, for example within diagnostics, pathology and environmental monitoring.
How will LIFE students benefit from the elite research area?
LIFE students benefit from the research area in countless ways. In the past 10 years or so, our non-compulsory basic chemometrics course has been attended by most food science students. They choose the elective because it is relevant and useful both during and after their studies.
Visitors, students and partners from all over the world
Our research area also benefits students working on their theses etc.
We often receive inspiring visitors and partners from all over the world. Recently, one of our students ventured to South Africa to learn more about wine, while another student went to London to take a look at pharmaceuticals.
We are part of an enormous international network of businesses and authorities. We are involved in research projects, industrial PhD fellowships and an industrial consortium by the name of Odin with a number of Danish industries. We teach the industry about the latest methods, and together we identify new areas where research is called for.
Developing research ambitions with industry
Moreover, we offer supplementary courses. Generally speaking, industry and the authorities are utterly and completely integrated in the research area’s activities.
We are very much developing our research ambitions in communication with industry, in that way ensuring that our work is relevant.
Where can you follow the elite research area’s results?
Our website www.models.life.ku.dk has 5,000-10,000 unique visitors each month. It provides information about chemometrics and related topics.
Who is behind the elite research area?
Kirsten Jenlev, - last update:29 September 2011