Thesis project: Advanced mass spectrometry

Job description
Master thesis in advanced mass spectrometry - Approach by Chemistry or AI modelling 


If you’re inspired by the possibilities of science to make a difference and ready to discover what you can do – join us!

Thesis type: 30/60 credits
Project start: August/September 2022
Student location: On Site, Gothenburg Sweden
Contact persons AstraZeneca: Gustaf Hulthe, Mats Josefson, and  Fritz Schweikart  


Mass Spectrometry fragmentation is a very attractive approach to investigate chemical structures as MSMS can be done directly on any component in a complex mixture and as very little material is used compare to NMR or IR. However, data is more difficult to interpret compared to NMR and IR, and to reach understanding of more details of the molecule, several fragmentation methods have to be combined. 

Responsibilities
In this work, we will systematically investigate available fragmentation methods and apply them on selected test compound. We have several advances MS instrument to work with, together filling almost all commercial available ways of MS-fragmentation. For test substances, we can choose freely among our substance library of ca 1 million compounds to highlight similarities and differences of fragmentation. The work is both practical and theoretical with the aim to gain considerable insight in approaches to structure analysis by MS. 

Qualifications
 A strong knowledge in organic and physical chemistry is desirable as much discussion will be focused around comparing kinetically and thermodynamically favorable degradation pathways. The goal is to build understanding of the various fragmentation methods to predict how new structures would fragment through the tested routes. 
An alternative approach to a strong focus on chemistry, can be to build machine learning models, to explain the differences between fragmentation methods by artificial intelligence. This approach will implement some published MSMS fragmentation models and apply transfer learning with your measured data, to make a model that proposes fragmentation spectra from any molecule when using the studied fragmentation methods. 

If there are two students these two approaches can be applied in parallel. Otherwise we chose the approach which best fit the background of the student. 

Application
Deadline: 2022-04-03 , selection and interviews will be ongoing. The position may be filled before the last day of application, therefore, apply as soon as possible.

For more information:
Please contact Veronika Knudsen veronika.knudsen@randstad.se 

About the company
 With more than 2,400 employees from 50 countries, the vibrant Gothenburg site helps to support the entire life-cycle of AstraZeneca medicines, from drug discovery and clinical trials, to global commercialisation and product maintenance. Gothenburg is one of AstraZeneca’s three strategic, global R&D centres, alongside Cambridge and Gaithersburg, and plays a central role in our mission to deliver life-changing medicines to patients.

At AstraZeneca we are guided in our work by a strong set of values, and we’re resetting expectations of what a bio-pharmaceutical company can be. By truly following the science, we pioneer new methods, new thinking and bring unexpected teams together. From scientists to sales, lab techs to legal, we’re on a mission to turn ideas into life-changing medicines that transform lives. We need great people who share our passion for science and have the drive and determination to meet the unmet needs of patients around the world. If you’re swift to action, confident to lead, willing to collaborate, and curious about what science can do, then you’re our kind of person.