| Responsible Department | Department of Food Science | ||||||||||||
| Research School | FOOD Denmark | ||||||||||||
| Course Dates | Annually, one week course in the first week of March (2012: 5th - 9th of March, week 10) | ||||||||||||
| Course Abstract | Quantitative nuclear magnetic resonance (qNMR) is becoming an integral part of many scientific areas, especially within metabolomics, and the handling of the data for the results to be quantitatively reliable is an important issue. This 5-day course has as main objective to introduce tools for pre-processing quantitative NMR data for subsequent multivariate data analysis (chemometrics). | ||||||||||||
| Course Registration | To sign up for the course, please send an e-mail to Francesco Savorani, frsa@life.ku.dk. Please also remember to add the course to your PhD plan | ||||||||||||
| Deadline for Registration | Latest February 1st | ||||||||||||
| Credits | 3 (ECTS) | ||||||||||||
| Level of Course | PhD course | ||||||||||||
| Language of Instruction | English | ||||||||||||
| Restrictions | Max 20 students. Knowledge of chemometrics/exploratory data analysis and basic Matlab beforehand. Basic knowledge of 1H liquid-state NMR spectroscopy. | ||||||||||||
| Course Content | |||||||||||||
| After completing the course the student should be able to: KNOWLEDGE -How to measure and transform NMR spectra for them to be quantitative -How to import Bruker NMR spectra into Matlab -How to install new functions or toolboxes into matlab -Reflections about raw NMR data (do I need them all?) -Scripts setup and check (the help function) -Automatic peak referencing -Peak alignment: icoshift -Normalization methods -Importing processed data into LatentiX and some useful LatentiX tips -Basic chemometrics in Latentix -Advanced chemometrics in Matlab: Hints on interval based tools SKILLS -Suggest and apply pre-processing tools on quantitative NMR data COMPETENCES -Carry out chemometrics on proper pre-processed quantitative NMR spectra | |||||||||||||
| Teaching and learning Methods | |||||||||||||
| One week full work onsite with theoretical lectures including examples and exercises finalized with a PCA and an examination. The students will be able to follow all the examples on their own computers and they will work on their own data during exercises. 5 days lectures and exercises: 50 h, literature reading: 30 h. Total 80 h = 3 ECTS | |||||||||||||
| Learning Outcome | |||||||||||||
| Through lectures and exercises, the course will introduce the participants to important pre-processing methods used within NMR - normalization and alignment (referencing, icoshift) of data - and discuss problems, pitfalls and tricks of the trade in relation to quantitative use of NMR spectroscopy. The course will begin with an introduction to quantitative NMR, including possible artifacts which can occur during acquisition and transformation and possibly spoil quantitative features, and the course will end with the participants doing a principal component analysis (PCA) on their own pre-processed NMR data. The content of the course is: Day 1 - Introduction to quantitative NMR, together with Matlab and importing NMR data Day 2 - Dataset structure, cleaning and Normalization Day 3 - Alignment 1 Day 4 - Alignment 2 together with basic chemometrics in LatentiX and advanced chemometrics in Matlab Day 5 - PCA on own NMR dataset and final examination | |||||||||||||
| Course Material | |||||||||||||
| Handouts and scientific papers provided during the course; scripts and source code provided during the course | |||||||||||||
| Course Coordinator | |||||||||||||
| Francesco Savorani, frsa@life.ku.dk, Department of Food Science/Quality and Technology, Phone: Søren Balling Engelsen, se@life.ku.dk, Department of Food Science/Quality and Technology, Phone: 353-33205 | |||||||||||||
| Other Lecturers | |||||||||||||
| Associate Prof. Flemming Hofmann Larsen Associate Prof. Nanna Viereck | |||||||||||||
| Course Fee | |||||||||||||
| There is no course fee for PhD students under the Open Market for Postgraduate Courses in Denmark | |||||||||||||
| Course Costs | |||||||||||||
| No course costs, however, food, drinks and accommodation are not included | |||||||||||||
| Type of Evaluation | |||||||||||||
| In order to pass the course, all participants must perform a PCA on own data and present and discuss the result at an examination on site with the evaluation pass or fail | |||||||||||||
| Work Load | |||||||||||||
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| Other Remarks | |||||||||||||
| For the project work (doing PCA) the participants should bring their own quantitative NMR data set but if not available a training NMR dataset will be provided. | |||||||||||||