REIMS LiveID - Microsep (Pty) Ltd – Laboratory,...
29
©2017 Waters Corporation 1 REIMS LiveID A Direct MS Sampling Technology Mark N Groudas VP Americas Field Operations Waters Corporation 27 th July 2017
Transcript of REIMS LiveID - Microsep (Pty) Ltd – Laboratory,...
copy2017 Waters Corporation 1
REIMS LiveIDA Direct MS Sampling Technology
Mark N Groudas
VP Americas Field Operations
Waters Corporation
27th July 2017
copy2017 Waters Corporation 2
Sample
Hand-held sampling device
DiathermyGenerator
InformaticsSystem
REIMSSource
Waters REIMS Research SystemRapid Evaporative Ionisation Mass Spectrometry
Xevo G2-XS QTOF
copy2017 Waters Corporation 3
How does it work
To the atmospheric inlet of a mass spectrometer
copy2017 Waters Corporation 4
Workflow
Acquire Import Analyze Identify Review
o Fast direct ionizationo No sample prep requiredo No chromatography required
copy2017 Waters Corporation 5
Workflow
Acquire Import Analyze Identify Review
o Easily manage large datasetso Handle multiple replicateso Enhance data quality
copy2017 Waters Corporation 6
Workflow
Acquire Import Analyze Identify Review
o Easy to use multivariate statisticso Differentiate sample groupso Highlight significant features
copy2017 Waters Corporation 7
Workflow
Acquire Import Analyze Identify Review
Flexible compound search methods oCompatible with popular databases o
Confident assignments o
copy2017 Waters Corporation 8
Workflow
Acquire Import Analyze Identify Review
Effective visualization tools oIntegrate with other informatics o
Employ pathway analysis o
copy2017 Waters Corporation 9
Application example ndash Food Research
copy2017 Waters Corporation 10
REIMS for food research workflow
chemometric profiling
Quality amp product
consistency
Different species
Different production
Biomarker discovery
Model training amp validation
Real time recognition
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 2
Sample
Hand-held sampling device
DiathermyGenerator
InformaticsSystem
REIMSSource
Waters REIMS Research SystemRapid Evaporative Ionisation Mass Spectrometry
Xevo G2-XS QTOF
copy2017 Waters Corporation 3
How does it work
To the atmospheric inlet of a mass spectrometer
copy2017 Waters Corporation 4
Workflow
Acquire Import Analyze Identify Review
o Fast direct ionizationo No sample prep requiredo No chromatography required
copy2017 Waters Corporation 5
Workflow
Acquire Import Analyze Identify Review
o Easily manage large datasetso Handle multiple replicateso Enhance data quality
copy2017 Waters Corporation 6
Workflow
Acquire Import Analyze Identify Review
o Easy to use multivariate statisticso Differentiate sample groupso Highlight significant features
copy2017 Waters Corporation 7
Workflow
Acquire Import Analyze Identify Review
Flexible compound search methods oCompatible with popular databases o
Confident assignments o
copy2017 Waters Corporation 8
Workflow
Acquire Import Analyze Identify Review
Effective visualization tools oIntegrate with other informatics o
Employ pathway analysis o
copy2017 Waters Corporation 9
Application example ndash Food Research
copy2017 Waters Corporation 10
REIMS for food research workflow
chemometric profiling
Quality amp product
consistency
Different species
Different production
Biomarker discovery
Model training amp validation
Real time recognition
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 3
How does it work
To the atmospheric inlet of a mass spectrometer
copy2017 Waters Corporation 4
Workflow
Acquire Import Analyze Identify Review
o Fast direct ionizationo No sample prep requiredo No chromatography required
copy2017 Waters Corporation 5
Workflow
Acquire Import Analyze Identify Review
o Easily manage large datasetso Handle multiple replicateso Enhance data quality
copy2017 Waters Corporation 6
Workflow
Acquire Import Analyze Identify Review
o Easy to use multivariate statisticso Differentiate sample groupso Highlight significant features
copy2017 Waters Corporation 7
Workflow
Acquire Import Analyze Identify Review
Flexible compound search methods oCompatible with popular databases o
Confident assignments o
copy2017 Waters Corporation 8
Workflow
Acquire Import Analyze Identify Review
Effective visualization tools oIntegrate with other informatics o
Employ pathway analysis o
copy2017 Waters Corporation 9
Application example ndash Food Research
copy2017 Waters Corporation 10
REIMS for food research workflow
chemometric profiling
Quality amp product
consistency
Different species
Different production
Biomarker discovery
Model training amp validation
Real time recognition
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 4
Workflow
Acquire Import Analyze Identify Review
o Fast direct ionizationo No sample prep requiredo No chromatography required
copy2017 Waters Corporation 5
Workflow
Acquire Import Analyze Identify Review
o Easily manage large datasetso Handle multiple replicateso Enhance data quality
copy2017 Waters Corporation 6
Workflow
Acquire Import Analyze Identify Review
o Easy to use multivariate statisticso Differentiate sample groupso Highlight significant features
copy2017 Waters Corporation 7
Workflow
Acquire Import Analyze Identify Review
Flexible compound search methods oCompatible with popular databases o
Confident assignments o
copy2017 Waters Corporation 8
Workflow
Acquire Import Analyze Identify Review
Effective visualization tools oIntegrate with other informatics o
Employ pathway analysis o
copy2017 Waters Corporation 9
Application example ndash Food Research
copy2017 Waters Corporation 10
REIMS for food research workflow
chemometric profiling
Quality amp product
consistency
Different species
Different production
Biomarker discovery
Model training amp validation
Real time recognition
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 5
Workflow
Acquire Import Analyze Identify Review
o Easily manage large datasetso Handle multiple replicateso Enhance data quality
copy2017 Waters Corporation 6
Workflow
Acquire Import Analyze Identify Review
o Easy to use multivariate statisticso Differentiate sample groupso Highlight significant features
copy2017 Waters Corporation 7
Workflow
Acquire Import Analyze Identify Review
Flexible compound search methods oCompatible with popular databases o
Confident assignments o
copy2017 Waters Corporation 8
Workflow
Acquire Import Analyze Identify Review
Effective visualization tools oIntegrate with other informatics o
Employ pathway analysis o
copy2017 Waters Corporation 9
Application example ndash Food Research
copy2017 Waters Corporation 10
REIMS for food research workflow
chemometric profiling
Quality amp product
consistency
Different species
Different production
Biomarker discovery
Model training amp validation
Real time recognition
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 6
Workflow
Acquire Import Analyze Identify Review
o Easy to use multivariate statisticso Differentiate sample groupso Highlight significant features
copy2017 Waters Corporation 7
Workflow
Acquire Import Analyze Identify Review
Flexible compound search methods oCompatible with popular databases o
Confident assignments o
copy2017 Waters Corporation 8
Workflow
Acquire Import Analyze Identify Review
Effective visualization tools oIntegrate with other informatics o
Employ pathway analysis o
copy2017 Waters Corporation 9
Application example ndash Food Research
copy2017 Waters Corporation 10
REIMS for food research workflow
chemometric profiling
Quality amp product
consistency
Different species
Different production
Biomarker discovery
Model training amp validation
Real time recognition
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 7
Workflow
Acquire Import Analyze Identify Review
Flexible compound search methods oCompatible with popular databases o
Confident assignments o
copy2017 Waters Corporation 8
Workflow
Acquire Import Analyze Identify Review
Effective visualization tools oIntegrate with other informatics o
Employ pathway analysis o
copy2017 Waters Corporation 9
Application example ndash Food Research
copy2017 Waters Corporation 10
REIMS for food research workflow
chemometric profiling
Quality amp product
consistency
Different species
Different production
Biomarker discovery
Model training amp validation
Real time recognition
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 8
Workflow
Acquire Import Analyze Identify Review
Effective visualization tools oIntegrate with other informatics o
Employ pathway analysis o
copy2017 Waters Corporation 9
Application example ndash Food Research
copy2017 Waters Corporation 10
REIMS for food research workflow
chemometric profiling
Quality amp product
consistency
Different species
Different production
Biomarker discovery
Model training amp validation
Real time recognition
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 9
Application example ndash Food Research
copy2017 Waters Corporation 10
REIMS for food research workflow
chemometric profiling
Quality amp product
consistency
Different species
Different production
Biomarker discovery
Model training amp validation
Real time recognition
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 10
REIMS for food research workflow
chemometric profiling
Quality amp product
consistency
Different species
Different production
Biomarker discovery
Model training amp validation
Real time recognition
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 11
Direct analysis for flexible amp rapid screening
SamplingDetermination
(5s)
Data analysis (2s)
Report
Point-of-control analysis
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 12
How REIMS helps the food industry
Speciality products
Ensuring the authenticity of protected
status products (PDO PGI TSG)
eg Buerre drsquoArdenne Mortadella di Bologna
Bronte pistachio nuts Parmigiano-Reggiano
botanic origin of honeyhellip
Speciation
Verification of fish and meat species
identity
eg raw product to highly processed foods
canned meatfish gelatine stocks
Production methods
Organic vs conventional production
Capture method (line vs trawl caught fish)
Dietary regime and husbandry (grass fed vs
industrial feed)
Quality composition amp safety
Carcass consistency amp quality
Grading of raw product prior to processing
Securing protein supply nutritional value of
meats amp value added products eg Ω36 ratio
Product extension offal in processed products
Product spoilage indicators
ndash Food pathogens
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 13
Discovery experiment Progenesis QI (EZinfo) S Plot
Markers for Cod
Confidence o
f diffe
rence
Magnitude of difference
Markers for Whiting
S-Plot (Whiting = -1 Cod =1
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 14
Oceana survey undertaken in 2015
Only 6 of Northern red
snapper fish collected were
truly red snapper
84 of tuna sold in sushi
restaurants was escolar
(health effects)
Almost 50 of all grocery
stores visited in Boston sold
mislabelled fish
31 of cod in Boston was
mislabelled
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 15
Processed product authenticity burger composition
100 beef burger
composition
Burger containing
ge10 (ww) horse
meat
Burger containing
ge1 (ww) horse
meat
Sample contains horse
meat exceeding the
screening detection
limit of 1
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 16
Rapid detection of ldquoboar taintrdquo in porcine fat
Model training and in silico validation
LiveID PCALDA model space generated for porcine fat populations
(received from 2 different suppliers) screened positive for boar taint
negative for boar taint using ca60 biological replicates and 250 spectra
per class and fat from female animals using ca 30 biological replicates
and 70 spectra
Increasing awareness of animal welfare has led to aEuropean Treaty announcing a voluntary ban on thesurgical castration of male piglets by 2018 It isexpected that this will result in the increased productionof intact male pigs
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 17
Retail sample obtained fat tissue sampled and
classified using the combined model
Retail sample of porcine fat
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 18
Speciation buffalo vs bovine spectra
REIMS Tof MS neg ion IPA 150 ulmin 50-1200 mz
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 19
Nutritional quality amp characteristics
Polyunsaturated fatty acid (PUFA) content
Arachidonic acid Ω6C20H32O2
Eicosapentaenoic acidΩ3
C20H30O2
Good ratio of Ω36 acids
Ω3Ω6 = 03
Ω3Ω6 = 007
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 20
Authenticity of Sicilian pistachio nuts
Collaboration with Prof Luigi Mondello
Dipartimento di Scienze Chimiche Biologiche
Farmaceutiche ed Ambientali - University of Messina Italy
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 21
Product authenticity
Belgian butter PDO status (1996)
Walloon Agricultural Research Centre Belgian butter authenticity project
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 22
Honey authenticity
Phytochemical markers of botanical amp geographical
origins
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 23
Analysis of Mastitis Milk Samples
bull Most common disease in dairy cows in USbull asymp $2 billion annual cost
bull REIMS could provide rapid diagnostic test for mastitis directly from milk sample
bull Proof-of-concept study using automated LA-REIMS platform
bull Approx 150 milk samples from cows withwithout mastitis
bull Traditional microbiology tests completed
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 24
More applications ndash Health Sciences Research
The REIMS Research System with iKnife Sampling is intended for research use only and is not intended for diagnostic or therapeutic use
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 25
iKnife
Atmosphericinterface
Electrosurgical unit
Venturi air jetpump
Custom designed handpiece
-+
-
-
+
+
-
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 26
iKnife
L-REIMS
Analysis of microbes
iEndoscope
Real Time Diagnostics (REIMS)
Zoltan Takats ndash Imperial College UK
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 27
Summary amp future prospects
REIMS LiveID for food integrity
ndash REIMS is a direct analysis technique results possible in seconds
o New ambient ionisation technique
LiveID enables real-time classification of samples from direct-analysis MS data
o Is my sample authentic or fake
ndash Point-of-control analysishellip bringing the analysis to the sample
Chemometric profiling
ndash Holistic profiling for quality amp process control
ndash Detection of the ldquounexpectedrdquo for authenticity
ndash Potential to identify amp verify unique product markers
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
copy2017 Waters Corporation 28
Acknowledgements
Prof Zoltan Takats (Imperial College London)
Prof Chris Elliott Dr Olivier Chevallier Connor Black (Queens University Belfast
UK)
Dr Giorgio Fedrizzi (Istituto Zooprofilattico della Lombardia e Emilia Romagna
Bologna Italy)
Prof Lynn Van Haecke Kaat Verplanken (University of Ghent Belgium)
Prof Luigi Modello Dr Francesca Rigano (University of Messina Sicily Italy)
Matthew Sharman (FERA Science Ltd York UK)
Renata Jandova Dr Emrys Jones Dr Julia Balog Dr Steve Pringle Dr Mike
Morris (Waters Manchester and Budapest)
