Upload
max-merkies
View
226
Download
0
Embed Size (px)
Citation preview
8/7/2019 Fingerprinting applications equivalency testing of diets
1/37
Fingerprinting applications for
equivalency testing of diets/ foodproducts
More information = better
equivalency testing
8/7/2019 Fingerprinting applications equivalency testing of diets
2/37
8/7/2019 Fingerprinting applications equivalency testing of diets
3/37
What is fingerprinting
Target compound analysis, group type
characterization
Different samples = different properties =
different spectra/ chromatograms =
different fingerprint
8/7/2019 Fingerprinting applications equivalency testing of diets
4/37
What is essential (1)
8/7/2019 Fingerprinting applications equivalency testing of diets
5/37
8/7/2019 Fingerprinting applications equivalency testing of diets
6/37
Essentials (3)
Statistical techniques to discrimminatebetween (many)samples
Classification and similarity basedapproach
Different techniques for differentapplications to generate information
8/7/2019 Fingerprinting applications equivalency testing of diets
7/37
Quality assessment of Curcuma
Longa by GC-MS 33 different batches/ samples of C.L.
(plant) originating from different
geographical locations, different cultivarsand different harvesting times
Goal: To establish a fingerprint method for
quality control
8/7/2019 Fingerprinting applications equivalency testing of diets
8/37
8/7/2019 Fingerprinting applications equivalency testing of diets
9/37
8/7/2019 Fingerprinting applications equivalency testing of diets
10/37
Development a fingerprint method
for Ganoderma Lucidum by LCMS 29 G. L. (mycelia) samples from three
different provinces and six different origins
Dried samples were extracted withchloroform and analyzed by RPLC with
MS detection
8/7/2019 Fingerprinting applications equivalency testing of diets
11/37
Type of analysis
Validation: RSD of the precision was 0,43% and
2,9% (n=6), based on RRT and RPA.
Similarity analysis by using simulated mean
chromatograms
Calculating characteristic values fordiscrimmination of chromatographic fingerprints
8/7/2019 Fingerprinting applications equivalency testing of diets
12/37
Similarity analysis of all 29 peaks
8/7/2019 Fingerprinting applications equivalency testing of diets
13/37
Line chart for visual assessment
8/7/2019 Fingerprinting applications equivalency testing of diets
14/37
TPA a characteristic value
8/7/2019 Fingerprinting applications equivalency testing of diets
15/37
Characteristic
ratios
8/7/2019 Fingerprinting applications equivalency testing of diets
16/37
Assessment of 60 samples of G.L.
from six origins(10 each) Bigger sample size allows for a moreextensive analysis.
The abillity to use other statisticaltechniques to discrimminate betweensamples
No pre-processing of data because ofRPA and RRT
8/7/2019 Fingerprinting applications equivalency testing of diets
17/37
Similarity and HCA
8/7/2019 Fingerprinting applications equivalency testing of diets
18/37
PCA
Discrimmination of 3 groups by province
8/7/2019 Fingerprinting applications equivalency testing of diets
19/37
PCA of log-centered data
Extra group found
because of different
cultivation method
(b) circled items are
possible markers
8/7/2019 Fingerprinting applications equivalency testing of diets
20/37
PLS-DA to confirm
Loadingsplot indicates
6 marker compounds
Leave one out method:
8/7/2019 Fingerprinting applications equivalency testing of diets
21/37
SIMCA
Confirm classification Coomans plot:
New samples can
be tested
Every considered
sample is assigned
to one class accordingto its distance from
the class model.
8/7/2019 Fingerprinting applications equivalency testing of diets
22/37
Marker method
Identical results when
analysis is repeated with
4 peaks instead of 19
8/7/2019 Fingerprinting applications equivalency testing of diets
23/37
2D GCxGC-MS for analyzing olive
oils
Three different types of olive oils subjected
to 2 different types of extraction processes
Aim to compare the results obtained with
RPAs and statistical image treatment
(imageJ)
8/7/2019 Fingerprinting applications equivalency testing of diets
24/37
2D fingerprint
Separation: 1D- volatility 2D-polarity
Size and intensity translated to pixel data/ sector
8/7/2019 Fingerprinting applications equivalency testing of diets
25/37
ANOVA after Tukey validation (loss
of significant figures)
8/7/2019 Fingerprinting applications equivalency testing of diets
26/37
very similar results
8/7/2019 Fingerprinting applications equivalency testing of diets
27/37
In conclusion
ImageJ software allows for virtually
identical results
Selection of marker compounds give even
more discrimmination capacity
Be carefull some information may still be
lost
8/7/2019 Fingerprinting applications equivalency testing of diets
28/37
GCxGC-MS of coffee and hazelnut
Goal: Comparison of data processing
techniques: group-type characterization,
direct image comparison and template
matching
Discrimminate between botanical and
geographical origin and roasting
treatments
8/7/2019 Fingerprinting applications equivalency testing of diets
29/37
Evaluation of different columns sets
8/7/2019 Fingerprinting applications equivalency testing of diets
30/37
Group-type analysis
Discrimmination:
geographical location,
roasting treatment
8/7/2019 Fingerprinting applications equivalency testing of diets
31/37
Direct image comparison
Good for searching
discrimminate analytes
- Distortion effects
8/7/2019 Fingerprinting applications equivalency testing of diets
32/37
Template matching
8/7/2019 Fingerprinting applications equivalency testing of diets
33/37
Analysis Lingusticum Chuanxion
Utilizing 2 fingerprints per sample for
analysis
RPLC fingerprint for moderate and weak
polar compounds
HILIC fingerprint for strong polar
compounds
8/7/2019 Fingerprinting applications equivalency testing of diets
34/37
Fingerprints
8/7/2019 Fingerprinting applications equivalency testing of diets
35/37
Validation with RRT and RPA
8/7/2019 Fingerprinting applications equivalency testing of diets
36/37
Similarity analysis
8/7/2019 Fingerprinting applications equivalency testing of diets
37/37
The End
Questions?
Comments?
Remarks?