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©	2015		
Chemistry	Ma2ers	Inc. 1	AGAT	Science	and	Technology	Talks	2016	
Making	environmental	data	meaningful	
Use	of	Environmental	Forensics	for	
Petroleum	Releases	
Defining	what	is	yours	and	what	isn’t	
Court	D.	Sandau,	PhD,	PChem	
January	29,	2016	–	AGAT	Science	and	Technology	Talks
©	2015		
Chemistry	Ma2ers	Inc.
Acknowledgements	
2	
•  Phil	Richards,	MChem,	MRes,	PhD,	PChem	
	
	
•  AGAT	Laboratories	Ltd.	
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Environmental Forensic Investigation
‘Forensics’ - the application of scientific knowledge and
analysis for public discussion/debate OR potential
litigious issues
“The application of
scientific methods used
to identify the origin and
timing of a contaminant
release”
AGAT	Science	and	Technology	Talks	2016	 3
©	2015		
Chemistry	Ma2ers	Inc.
Birthplace of Environmental
Forensics
Exxon Valdez 1989
Term “Environmental Forensics”
coined in Dr. Robert Morrison’s first
book since it was used in a peer
reviewed publication.
4	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Petroleum Hydrocarbons – A lot of
Compounds to Choose From
Unresolved Complex
Matter
Nelson et al. Environmental Forensics, 7:33–44, 2006
Straight chained alkanes
PAHs
Biomarkers
The rest
AGAT	Science	and	Technology	Talks	2016	 5	
VOCs
©	2015		
Chemistry	Ma2ers	Inc.
Case	Study	#1	–	Phytogenic	vs.	Petrogenic	
Hydrocarbons	
•  Petroleum	release	in	peat	(bog/fen)	
•  Former	oil	well,	residual	hydrocarbon	impacts	
–  Previous	remedial	work;	admixing	of	soil		
•  Client	seeking	reclamaSon	cerSficate	
	
6	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc. 7	
Muskeg is a very rich organic environment > 50% TOC
PHC Fractions analysis cannot differentiate natural
hydrocarbons (phytogenic) from petroleum hydrocarbons
(petrogenic).
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
PHC	FracKons	Results	
8	AGAT	Science	and	Technology	Talks	2016	
PHC F3 – above guidelines in background areas.
©	2015		
Chemistry	Ma2ers	Inc.
Source	Sample	
9	
F2 F3 F4
31000 210000 430000
Large	UCM		
no	prominent	peaks	
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Natural	Peat	
10	
F2 F3 F4
290 2300 800
Prominent	peaks	
Typical	paYern	for	peat	
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Mixture	of	Source	Material	and	Natural	Peat	
11	
F2 F3 F4
320 3100 1300
Clear	mixture	of	source	
and	peat	chemicals	
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Biomarker	Analysis	
12	
Chemicals	found	in	petrogenic	hydrocarbons	and	not	found	in	
phytogenic	hydrocarbons.		
o  Terpanes – prokaryotes (archaea and bacteria)
o  Steranes – eukaryotes (plants and animals)
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Diagenesis	
Sterols	to	steranes	
13	
Cholestadienol	 Cholestane	
Diagenesis	
Plant	structural	
membrane	chemical	
Oil	biomarker	
Diagenesis	–	low	pressure	and	low	temperature	change	in	
deposited	sediment	as	it	undergoes	solidificaSon.	
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Source	Sample		
steranes	and	hopanes	
14	
C23,	C24,	C25,	C26	
tricyclic	terpanes	
Hopanes	
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Biomarkers
in Site Samples
Petroleum	
Biomarker	
Standard	
Site									
Sample	
15	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Peat	Sample		
fa2y	acids	and	alcohols	
16	
1.	Hexadecanoic	acid	(C16)	
2.	Octadecanoic	acid	(C18)	
3.	Eicosanoic	acid	(C20)	
4.	Docosanoic	acid	(C22)	
5.	Tetracosanoic	acid	(C24)	
	
6.	Hexacosanol	(C26)	
7.	Octacosanol	(C28)	
8.	Decacosanol	(C30)	
1	 2	
3	 4	
5	
6	
7	 8	
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Peat	Sample		
sterols	
17	
Gamma-sitasterol	Ergosterol	
Cholestadienol	
Cyclolanostanol	
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Plant	cell	structure	
18	
Sterols		
Fa2y	acids	 Fa2y	acids	
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
•  Natural phytogenic hydrocarbons can
be above guidelines peatlands
•  Biomarker analysis can differentiate
phytogenic vs. petrogenic materials
•  Conclusive assessment and
remediation tool
•  Definitive Closure
•  Cost/Time Efficient
•  Everyone Wins
•  Lab - good science
•  Consultant - sound decisions
•  Client - closure and assurance
•  Site - minimal disturbance in a
peatland
Case	Study	#1	-	Conclusions	
19	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Case	Study	#2	–	Tracking	Odours	from	Oil	
and	Gas	AcKviKes	
•  DirecSve	60	requires	no	odours	off-lease	
•  Open	venSng	of	CHOPS	faciliSes	in	area	as	well	
as	other	types	of	producSon	
•  Use	staSsScal	analysis	to	determine	potenSal	
sources	
20	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Potential Sources
•  Source	samples	collected	near	various	operators	in	the	region	
•  Compared	to	samples	from	air	monitoring	trailers	during	
odourous	event	
	•  Odourous	events	were	
triggered	samples	from	
one	of	the	two	
monitoring	staSons	
•  No	events	associated	
with	source	samples	in	
original	publicaSon	of	
results	
AGAT	Science	and	Technology	Talks	2016	 21
©	2015		
Chemistry	Ma2ers	Inc.
VOCs
0"
0.05"
0.1"
0.15"
0.2"
0.25"
0.3"
0.35"
0" 1" 2" 3" 4" 5" 6"
NMHC%(ppm)%
Methane%(ppm)%
Trailer"986"
Hours"Surrounding"
Triggered"Samples"
0"
0.05"
0.1"
0.15"
0.2"
0.25"
0.3"
0.35"
0" 50" 100" 150" 200" 250" 300" 350" 400"
NMHC%
Wind%Direc.on%
Con.nuous%NMHC%Data%Plo6ed%with%Wind%Direc.on%
Trailer"986"
Hours"Surrounding"
Triggered"Samples"
Correlation between
various VOCs.
(methane, NMHCs, TRS,
SO2).
Wind direction data
indicates general origin
from the oilfield
(multiple parties)
Triggered Samples
Other Samples
AGAT	Science	and	Technology	Talks	2016	 22
©	2015		
Chemistry	Ma2ers	Inc.
C6-ratio
1"
2"
3"
4"
5"
6"
7"
8"
9"
10"
11"
12"
397"
14"
15"16"17"
18"
19"
20"
25" 26"
a"
b"
c"
d"
e"
g"
h"
j"
E"
F"
G"
H" I"
J"
K"
L"
M"
A"
B"
N"
O"
Q" R"
0.1"
1"
10"
100"
0.1" 1" 10" 100" 1000" 10000" 100000" 1000000"
cyclohexane*/*benzene*
benzene*concentra0on*(ppbv)*
PotenHal"Source"Facility"(AE)"
Field"Sample"(AE)"
Three"Creeks"Trailer"Sample"
Petrogenic
Combustion
benzene
cyclohexane
AGAT	Science	and	Technology	Talks	2016	 23
©	2015		
Chemistry	Ma2ers	Inc.
Butane isomers
1"
2"
3"
4"5"
6"
7"
8"
9" 10"
11"
12"
14"
15"
16"
17"
18"
19"
20"
21"
22"
23"
24"
25" 26"
a"
b"c"
d"
e"
f" g"
h"
i"
j"
E"
F"
G"
H"
I"
J"
K"
L"
M"
A"
B"
N"
O"
P"
Q"
R"
0.05"
0.5"
5"
0.1" 1" 10" 100" 1000" 10000" 100000" 1000000" 10000000" 100000000"
i"butane)/)n"butane)ra,o)
n"butane)concentra,on)(ppbv))
PotenJal"Source"Facility"(AE)"
Field"Sample"(AE)"
Three"Creeks"Trailer"Sample"
Petrogenic
Combustion
n-butane
i-butane
AGAT	Science	and	Technology	Talks	2016	 24
©	2015		
Chemistry	Ma2ers	Inc.
Better interpretation?
Diagnostic ratios are indicators for only 2 chemicals.
But, we can do better… we can develop analysis to
consider variability within all chemicals –
Principle Components Analysis (PCA)
A multi-variate statistical analysis that can be used
as an exploratory data analysis technique
AGAT	Science	and	Technology	Talks	2016	 25
©	2015		
Chemistry	Ma2ers	Inc.
PCA
1"
2"
3"
4"
5"
6"
7" 8"
9"
10"
11"
12"
13"
14"
15"
16"
17"
18"
19"
20"
21"
22"
23"
24"
25"
26"
A"
B"
C"
D"
E"
F"
G"
J"I" H"
K"
L"
M"
93"
92"
91"
0"
1"
2"
3"
4"
92" 91" 0" 1" 2" 3" 4" 5" 6"
Principle)Component)2)
Principle)Component)1)
Poten?al"Source"Facility"(AE)"
Three"Creeks"Trailer"Sample"
Combustion
Toluene-rich
sourcePetrogenic
AGAT	Science	and	Technology	Talks	2016	 26
©	2015		
Chemistry	Ma2ers	Inc.
R&D for a Solution
•  Working with laboratories and
industry to develop new forensics
approach for source apportionment
•  Using 2D-GC-TOFMS we can:
•  Detect unlimited numbers of
VOCs
•  Detect very low concentrations of
VOCs
•  Identify every compound with
full scan mass spectrometry and
library matches
•  Provides un-paralleled fingerprinting
capabilities to determine source
AGAT	Science	and	Technology	Talks	2016	 27
©	2015		
Chemistry	Ma2ers	Inc.
•  Routine air monitoring of VOCs provides valuable data to
potentially determine sources
•  Need to use the right marker compounds and statistical analysis
techniques
•  More data could provide better fingerprinting (future of
environmental forensics)
Case	Study	#2	-	Conclusions	
28	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Case	Study	#3	–	PAHs	in	Sediments	
•  Sediments	in	waterways	serve	as	sinks	to	PAHs	
•  Runoff	from	mulSple	sources	make	paYern	
assessment	difficult	
29	AGAT	Science	and	Technology	Talks	2016	
•  Expanded	suite	of	
alkylated	and	parent	
PAHs	helps	with	
idenSficaSon	of	
sources	
Days Weeks Months Years
BTEX
Alkanes
Biomarkers
PAHs
©	2015		
Chemistry	Ma2ers	Inc.
Fingerprint Graphs
0%#
2%#
4%#
6%#
8%#
10%#
12%#
NAP#
C1#NAP#
C2#NAP#
C3#NAP#
C4#NAP#
ACE#
C1#ACE#
BPH#
C1#BPH#
C2#BPH#
FLU#C1#FLU#C2#FLU#C3#FLU#PHE/ANT#
C1#PHE/ANT#
C2#PHE/ANT#
C3#PHE/ANT#
C4#PHE/ANT#
DBT#
C1#DBT#
C2#DBT#
C3#DBT#
C4#DBT#FLRN/PYR#
C1#FLRN/PYR#
C2#FLRN/PYR#
C3#FLRN/PYR#
C4#FLRN/PYR#B(a)A/CHR#
C1#B(a)A/CHR#
C2#B(a)A/CHR#
C3#B(a)A/CHR#
C4#B(a)A/CHR#
BFLRN/BPYR#
C1#BFLRN/BPYR#
C2#BFLRN/BPYR#
Bunker'C')'0%'
Naphthalene
C1-Naphthalenes
C2-Naphthalenes
C3-Naphthalenes
… …
…
30	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Oil Types
0%#
2%#
4%#
6%#
8%#
10%#
12%#
14%#
16%#
18%#
NAP#
C1#NAP#
C2#NAP#
C3#NAP#
C4#NAP#
ACE#
C1#ACE#
BPH#
C1#BPH#
C2#BPH#
FLU#C1#FLU#C2#FLU#C3#FLU#PHE/ANT#
C1#PHE/ANT#
C2#PHE/ANT#
C3#PHE/ANT#
C4#PHE/ANT#
DBT#
C1#DBT#
C2#DBT#
C3#DBT#
C4#DBT#FLRN/PYR#
C1#FLRN/PYR#
C2#FLRN/PYR#
C3#FLRN/PYR#
C4#FLRN/PYR#B(a)A/CHR#
C1#B(a)A/CHR#
C2#B(a)A/CHR#
C3#B(a)A/CHR#
C4#B(a)A/CHR#
BFLRN/BPYR#
C1#BFLRN/BPYR#
C2#BFLRN/BPYR#
K1A$Source+
0%#
2%#
4%#
6%#
8%#
10%#
12%#
14%#
16%#
Naphthalene#
C1#naphthalene#
C2#naphthalene#
C3#naphthalene#
C4#naphthalene#
Acenaphthene#
C1#acenaphthene#Biphenyl#
C1#biphenyl#
C2#biphenyl#Fluorene#
C1#fluorene#
C2#fluorene#
C3#fluorene#
Phenanthrene/Anthracene#
C1#phenanthrene/anthracene#
C2#phenanthrene/anth.#
C3#phenanthrene/anth.#
C4#phenanthrene/anth.#
Dibenzothiophene#
C1#dibenzothiophene#
C2#dibenzothiophene#
C3#dibenzothiophene#
C4#dibenzothiophene#
Fluoranthene/Pyrene#
C1#fluoranthene/pyrene#
C2#fluoranthene/pyrene#
C3#fluoranthene/pyrene#
C4#fluoranthene/pyrene#
Benz(a)anthracene/Chrysene#
C1#B(a)A/chrysene#
C2#B(a)A/chrysene#
C3#B(a)A/chrysene#
C4#B(a)A/chrysene#
Benzofluoranthene/Benzopyrene#
C1#benzofluoranthene/benzopyrene#
C2#benzofluoranthene/benzopyrene#
Plains'Product'
Light Crude
Light PAHs dominant
Nice bell-shaped patterns
Bitumen
Heavy PAHs dominant
Mixed patterns
31	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Product Types
0%#
2%#
4%#
6%#
8%#
10%#
12%#
14%#
NAP#
C1#NAP#
C2#NAP#
C3#NAP#
C4#NAP#
ACE#C1#ACE#
BPH#
C1#BPH#
C2#BPH#
FLU#C1#FLU#C2#FLU#C3#FLU#PHE/ANT#
C1#PHE/ANT#
C2#PHE/ANT#
C3#PHE/ANT#
C4#PHE/ANT#
DBT#C1#DBT#
C2#DBT#
C3#DBT#
C4#DBT#FLRN/PYR#
C1#FLRN/PYR#
C2#FLRN/PYR#
C3#FLRN/PYR#
C4#FLRN/PYR#B(a)A/CHR#
C1#B(a)A/CHR#
C2#B(a)A/CHR#
C3#B(a)A/CHR#
C4#B(a)A/CHR#BFLRN/BPYR#
C1#BFLRN/BPYR#
C2#BFLRN/BPYR#
No.$5$Fuel$Oil$,$0%$
0%#
5%#
10%#
15%#
20%#
25%#
30%#
NAP#
C1#NAP#
C2#NAP#
C3#NAP#
C4#NAP#
ACE#C1#ACE#
BPH#
C1#BPH#
C2#BPH#
FLU#C1#FLU#C2#FLU#C3#FLU#PHE/ANT#
C1#PHE/ANT#
C2#PHE/ANT#
C3#PHE/ANT#
C4#PHE/ANT#
DBT#
C1#DBT#
C2#DBT#
C3#DBT#
C4#DBT#FLRN/PYR#
C1#FLRN/PYR#
C2#FLRN/PYR#
C3#FLRN/PYR#
C4#FLRN/PYR#B(a)A/CHR#
C1#B(a)A/CHR#
C2#B(a)A/CHR#
C3#B(a)A/CHR#
C4#B(a)A/CHR#BFLRN/BPYR#
C1#BFLRN/BPYR#
C2#BFLRN/BPYR#
Diesel&Fuel&)&0%&
0%#
10%#
20%#
30%#
40%#
50%#
60%#
NAP#
C1#NAP#
C2#NAP#
C3#NAP#
C4#NAP#
ACE#
C1#ACE#
BPH#
C1#BPH#
C2#BPH#
FLU#C1#FLU#C2#FLU#C3#FLU#PHE/ANT#
C1#PHE/ANT#
C2#PHE/ANT#
C3#PHE/ANT#
C4#PHE/ANT#
DBT#
C1#DBT#
C2#DBT#
C3#DBT#
C4#DBT#FLRN/PYR#
C1#FLRN/PYR#
C2#FLRN/PYR#
C3#FLRN/PYR#
C4#FLRN/PYR#B(a)A/CHR#
C1#B(a)A/CHR#
C2#B(a)A/CHR#
C3#B(a)A/CHR#
C4#B(a)A/CHR#
BFLRN/BPYR#
C1#BFLRN/BPYR#
C2#BFLRN/BPYR#
Gasoline Diesel
Fuel Oil
32	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Petrogenic / Pyrogenic
0%#
5%#
10%#
15%#
20%#
25%#
30%#
35%#
NAP#
C1#NAP#
C2#NAP#
C3#NAP#
C4#NAP#
ACE#
C1#ACE#
BPH#
C1#BPH#
C2#BPH#
FLU#C1#FLU#C2#FLU#C3#FLU#PHE/ANT#
C1#PHE/ANT#
C2#PHE/ANT#
C3#PHE/ANT#
C4#PHE/ANT#
DBT#
C1#DBT#
C2#DBT#
C3#DBT#
C4#DBT#FLRN/PYR#
C1#FLRN/PYR#
C2#FLRN/PYR#
C3#FLRN/PYR#
C4#FLRN/PYR#B(a)A/CHR#
C1#B(a)A/CHR#
C2#B(a)A/CHR#
C3#B(a)A/CHR#
C4#B(a)A/CHR#
BFLRN/BPYR#
C1#BFLRN/BPYR#
C2#BFLRN/BPYR#
EPRI%Study%PAHs%.%Petroleum%Tar%%
0%#
2%#
4%#
6%#
8%#
10%#
12%#
14%#
NAP#
C1#NAP#
C2#NAP#
C3#NAP#
C4#NAP#
ACE#
C1#ACE#
BPH#
C1#BPH#
C2#BPH#
FLU#C1#FLU#C2#FLU#C3#FLU#PHE/ANT#
C1#PHE/ANT#
C2#PHE/ANT#
C3#PHE/ANT#
C4#PHE/ANT#
DBT#
C1#DBT#
C2#DBT#
C3#DBT#
C4#DBT#FLRN/PYR#
C1#FLRN/PYR#
C2#FLRN/PYR#
C3#FLRN/PYR#
C4#FLRN/PYR#B(a)A/CHR#
C1#B(a)A/CHR#
C2#B(a)A/CHR#
C3#B(a)A/CHR#
C4#B(a)A/CHR#
BFLRN/BPYR#
C1#BFLRN/BPYR#
C2#BFLRN/BPYR#
No.$5$Fuel$Oil$,$0%$
Petrogenic
Bell-shaped family groups
Oil products
Pyrogenic
scree-shaped family groups
Combustion products
33	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc. 34	
Fluoranthene Pyrene
10 1
1 10
Pyrogenic
Petrogenic
•  Formed within different environments
•  Both have similar responses in the environment
(biological decomposition rate)
(water solubility)
•  FLRN – kinetically favoured, PYR – themodynamically
favoured
Foundation of PAH Ratios
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Double	RaKo	Plots	to	DisKnguish	Source	
35	
0.0#
0.2#
0.4#
0.6#
0.8#
1.0#
1.2#
1.4#
0.0# 0.2# 0.4# 0.6# 0.8# 1.0# 1.2# 1.4# 1.6#
IcdP#/#BghiP#
FLRN#/#PYR#
Field&Data& MGP&Source&1& MGP&Source&2& Petroleum&Source&3&
Petroleum)
Liquid)Fuel)
Coal)pyrolysis/combus7on)
Pyrolysis/Combus7on)
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Principle Components Analysis
A double ratio plot is good for 4 compounds.
But, we can do better… we can develop analysis to
consider variability within all chemicals –
Principle Components Analysis (PCA)
AGAT	Science	and	Technology	Talks	2016	 36
©	2015		
Chemistry	Ma2ers	Inc.
!4#
!2#
0#
2#
4#
6#
8#
!6# !4# !2# 0# 2# 4# 6# 8# 10# 12# 14#
PC2$
PC1$
Oil#Product#
Upstream#of#Spill#
Downstream#of#Spill#
Principle Components Analysis
Spill Oil
Non-impacted Area
Other Areasx
AGAT	Science	and	Technology	Talks	2016	 37
©	2015		
Chemistry	Ma2ers	Inc.
!4#
!2#
0#
2#
4#
6#
8#
!6# !4# !2# 0# 2# 4# 6# 8# 10# 12# 14#
PC2$
PC1$
Oil#Product#
Upstream#of#Spill#
Downstream#of#Spill#
PAHs from Spill Oil
PAHs not from Spill Oil
Principle Components Analysis
Spill Oil
Non-impacted Area
Other Areasx
38	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
•  PAH fingerprints and marker compounds can identify
multiple sources
•  Use of patterns, marker compounds, double ratio plots,
and statistics can help determine when multiple sources
are mixed together
Case	Study	#3	-	Conclusions	
39	AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
12C-2378-
TCDD
in Serum
Using cryo-focusing and HRMS, can achieve 540 ag 2378-
TCDD, assuming 70 % recovery; S/N 474 (4 Sigma)
m/z 319.8965 [M]
Dr. Donald G. Patterson, Jr and Wayman Turner at CDC
Zoex - loop
modulator
40	AGAT	Science	and	Technology	Talks	2016	
Where	is	Science	Going?
©	2015		
Chemistry	Ma2ers	Inc.
Where	is	Science	Going?	
41	
Genomic Testing
AGAT	Science	and	Technology	Talks	2016	
Microarray Analysis
http://www.mdpi.com/1422-0067/11/9/3397?trendmd-shared=0
http://csmbio.csm.jmu.edu/bioweb/Bio480/Fall07/
microarray/group9/understanding_oxidative_pathways.htm
Big Data!!!
©	2015		
Chemistry	Ma2ers	Inc.
Conventional GC Analysis
Unresolved Complex
Matter
Nelson et al. Environmental Forensics, 7:33–44, 2006
Straight chained alkanes
PAHs
Biomarkers
The rest
AGAT	Science	and	Technology	Talks	2016	 42
©	2015		
Chemistry	Ma2ers	Inc.
Two-Dimensional
Gas Chromatography
Nelson et al. Environmental Forensics, 7:33–44, 2006
AGAT	Science	and	Technology	Talks	2016	 43
©	2015		
Chemistry	Ma2ers	Inc.
40 60 80 100 120 140 160 180 200 220 240
500
1000
93
77
39 12167 10750 136
Peak True - sample "L1019714-37 straight:1", peak 435, at 2486 , 1.350 sec , sec
40 60 80 100 120 140 160 180 200 220 240
500
1000
93
77
41
12110553 67 136
Library Hit - similarity 836, "à-Pinene"
4D
1D
2D
3D
AGAT	Science	and	Technology	Talks	2016	 44	
Four Dimensions?
©	2015		
Chemistry	Ma2ers	Inc.
Local Supply of Shell Diesel
AGAT	Science	and	Technology	Talks	2016	 45
©	2015		
Chemistry	Ma2ers	Inc.
Middle East Crude Oil Investigation
Alkyl	Phenanthrenes/Anthracenes
Alkyl	Naphthalenes
Alkyl	Benzenes
Alkanes
AGAT	Science	and	Technology	Talks	2016	 46
©	2015		
Chemistry	Ma2ers	Inc.
2D-GC Chromatogram
Gasoline sample
Soil sample
Arson	InvesKgaKon	
AGAT	Science	and	Technology	Talks	2016	 47	
©	2015		
Chemistry	Ma2ers	Inc.
©	2015		
Chemistry	Ma2ers	Inc.
Comparison of Gasolines
Esso
Shell
48© 2015
Chemistry Matters Inc.
©	2015		
Chemistry	Ma2ers	Inc. AGAT	Science	and	Technology	Talks	2016	 48
©	2015		
Chemistry	Ma2ers	Inc. 49	
Conclusions	
•  Environmental	Forensics	can	be	used	
to	help	determine	the	source	of	most	
contaminaSon	
•  Some	techniques	are	just	good,	solid	
science	
•  New	techniques	use	latest	
instrumentaSon	and	new	methods	of	
analysis	
AGAT	Science	and	Technology	Talks	2016
©	2015		
Chemistry	Ma2ers	Inc.
Thank you for your attention
Contact Info:
Chemistry Matters Inc.
Court Sandau
Cell: 403.669.8566
URL: chemistry-matters.com
Visit my website and sign up for email for automatic
receipt of my blogs!
Twitter: @Chem_Matters
LinkedIn: ca.linkedin.com/in/courtsandau
Slideshare: www.slideshare.net/csandau
50	AGAT	Science	and	Technology	Talks	2016

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