Non-Target Screening of Complex Organic Mixtures by Chromatography - HRMS
PhD School at the Faculty of SCIENCE at University of Copenhagen
Non-Target Screening of Complex Organic Mixtures by Chromatography–HRMS: Applications in environmental, biological, and bio-based systems
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This is a toolbox course where 80% of the seats are reserved to PhD students enrolled at the Faculty of SCIENCE at UCPH and 20% of the seats are reserved to PhD students from other Danish Universities/faculties (except CBS). Seats will be allocated on a first-come, first-served basis and according to the applicable rules.
Anyone can apply for the course, but if you are not a PhD student at a Danish university (except CBS), you will be placed on the waiting list until enrollment deadline. After the enrollment deadline, available seats will be allocated to applicants on the waiting list.
Aim and Content
This course introduces students to suspect and non-target screening (SS/NTS) for identifying unknown chemicals in environmental, biological and bio-based samples. Students will learn analytical workflows for prioritization of unknowns and compound identification using high-resolution mass spectrometry (HRMS) with a focus on liquid chromatography (LC), gas chromatography (GC) and supercritical fluid chromatography (SFC).
Hands-on sessions will involve applying NTS to real selected samples (e.g., water, soil, biological organisms, bio oils). Students will work in small groups to design and execute research projects, covering sample preparation (e.g., solid-phase extraction, vacuum evaporation up-concentration), data analysis using software like MSDial and MZmine, and compound prioritization via R scripts and suspect screening libraries.
Learning outcomes
Knowledge:
• Understand the principles and differences between suspect screening and non-target screening (SS/NTS)
• Understand key steps in NTS workflows, including sample preparation, HRMS data acquisition, data processing, and prioritization
• Understand the strengths, limitations, and sources of uncertainty in NTS for complex environmental, biological, and bio-based samples
Skills:
• Design and execute NTS workflows for complex samples, including appropriate sample preparation and analytical strategies
• Process and interpret HRMS data using relevant software tools (e.g. MS-Dial, MZmine) and apply filtering and prioritization approaches
• Communicate NTS results clearly in written and oral formats, including interpretation of uncertainties and limitations
Competences:
• Critically evaluate NTS workflows, including analytical platforms, data processing, and identification strategies
• Assess the reliability and quality of NTS results and identify potential sources of bias or error
• Apply NTS approaches to new sample types and research questions, selecting appropriate methods and interpreting results in context
Target Group
PhD students from various scientific disciplines working with analytical chemistry and are about to apply non-target screening workflows on environmental, biological and bio-based samples
Recommended Academic Qualifications
University-level analytical chemistry knowledge required (chromatography and mass spectrometry) and some interest in data science workflows.
Research Area
Analytical Chemistry; Data Science, Environmental Chemistry; Food Chemistry; Plant and Soil Chemistry, Biotechnology, Sustainable Fuels and other non-chemistry research areas
Teaching and Learning Methods
Lectures, theoretical and practical exercises, laboratory experiments. Some of the lectures and theoretical exercises can be followed online.
Type of Assessment
Completion of report on NTS project (50%), and oral exam of curriculum (50%).
Literature
Scientific papers on NTS and electronic resources via software Absalon
Course coordinator
Professor Jan H Christensen (PLEN)
Guest Lecturers
Asger Geppel and other researchers from Novonesis during visit to Novonesis.
Dates
Half Mondays, Tuesdays and Fridays
Start Date: 26. April 2027
End Date: 18. June 2027
Expected frequency
The course is recurrent annually in the same time period
Course location
Frederiksberg Campus
Registration
Deadline: April 5, 2027.
Requirements for signing up
PhD students must contact the course coordinator before registration to ensure prerequisites are met.
Seats to PhD students from other Danish universities will be allocated on a first-come, first-served basis and according to the applicable rules.
Applications from other participants will be considered after the deadline for registration.
Course fee and participant fee
PhD courses offered at the Faculty of SCIENCE have course fees corresponding to different participant types.
In addition to the course fee, there might also be a participant fee.
If the course has a participant fee, this will apply to all participants regardless of participant type - and in addition to the course fee.
Course fee
• Participant fee (materials and laboratory expenses): DKK 5.000
• PhD student enrolled at SCIENCE: DKK 0
• PhD student from Danish PhD school Open market: DKK 0
• PhD student from Danish PhD school not Open market: DKK 9.000
• PhD student from foreign university: DKK 9.000
• Master's student from Danish university: DKK 0
• Master's student from foreign university: DKK 9.000
• Non-PhD student employed at a university (e.g., postdocs): DKK 9.000
• Non-PhD student not employed at a university (e.g., from a private company): DKK 25.200
You will receive an email with a link and instructions for payment after completing the course.
Cancellation policy
•Cancellations made up to two weeks before the course starts are free of charge.
•Cancellations made less than two weeks before the course starts will be charged a fee of DKK 3.000
•Participants with less than 80% attendance cannot pass the course and will be charged a fee of DKK 5.000
•No-show will result in a fee of DKK 5.000
•Participants who fail to hand in any mandatory exams or assignments cannot pass the course and will be charged a fee of DKK 5.000