Successfully reported this slideshow.
We use your LinkedIn profile and activity data to personalize ads and to show you more relevant ads. You can change your ad preferences anytime.

Future of environmental_forensics_inef2016

598 views

Published on

Closing plenary talk given at the International Network of Environmental Forensics (INEF) 2016 conference held in Orebro, Sweden. Presentation covered the history of PCBs and dioxins and their roles in the birth of environmental forensics. The talk discussed a new definition of the term “Environmental Forensics” and provided five main points regarding environmental forensics investigations.

Published in: Science
  • Be the first to comment

Future of environmental_forensics_inef2016

  1. 1. © 2016 Chemistry Ma2ers Inc. 1 INEF 2016 – Örebro, Sweden Making chemistry data meaningful Future of Environmental Forensics Maybe it should be more complicated? June 30, 2016 6th Interna8onal Network of Environmental Forensics Conference, Örebro, Sweden
  2. 2. © 2016 Chemistry Ma2ers Inc. Summary of INEF 2016 2 INEF 2016 – Örebro, Sweden •  I recently gave the final plenary talk at the Interna8onal Network of Environmental Forensics (INEF) in Örebro, Sweden. •  The conference was held at Örebro Castle from June 27-30, 2016. •  It was a pleasure to provide the audience my thoughts on the future of environmental forensics.
  3. 3. © 2016 Chemistry Ma2ers Inc. Summary of INEF 2016 3 INEF 2016 – Örebro, Sweden
  4. 4. © 2016 Chemistry Ma2ers Inc. Acknoweldgments 4 INEF 2016 – Örebro, Sweden •  Phil Richards, MChem, MRes, PhD, P.Chem
  5. 5. © 2016 Chemistry Ma2ers Inc. 5 INEF 2016 – Örebro, Sweden Quote for the day A people without the knowledge of their past history, origin and culture is like a tree without roots. – Marcus Garvey
  6. 6. © 2016 Chemistry Ma2ers Inc. Selected History of POPs 6 INEF 2016 – Örebro, Sweden •  PCB manufacturing – 1930s •  DDT manufacturing – 1940s •  245-T manufacturing begins – 1940s •  Hexachlorophene produc8on – 1948 •  DDT measured in biota – 1950s •  Vietnam War – Agent Orange use 1961 - 1972 •  PCBs discovered in biota - 1966 •  Times Beach - 1971 •  Seveso Italy - 1976 https://www.yahoo.com/news/bp/december-23-road-contamination-prompts-evacuation-times-beach-145517324.html http://www.toxipedia.org/download/attachments/9353/Seveso.chem.jpg?version=1&modificationDate=1238498605000&api=v2 https://upload.wikimedia.org/wikipedia/commons/3/3e/Agent_Orange_at_Johnston_Atoll_1976.jpg
  7. 7. © 2016 Chemistry Ma2ers Inc. PCBs 7 INEF 2016 – Örebro, Sweden
  8. 8. © 2016 Chemistry Ma2ers Inc. DDT, PCBs & Environmental Research 8 INEF 2016 – Örebro, Sweden •  1950-60s – DDT measured in environment •  1962 – Rachel Carson publishes “Silent Spring” •  DDT/DDE research in Sweden in White Tailed Eagles by Dr. Soren Jensen in 1964 Jensen , Ambio 1972 Vol 1, No. 4
  9. 9. © 2016 Chemistry Ma2ers Inc. AnalyPcal Chemistry of the Time (1960s) 9 INEF 2016 – Örebro, Sweden •  GC-ECD (only seeing electronega8ve compounds) and GC-FID very common •  Mass spectrometry s8ll quite specialized (but needed for iden8fica8on) •  Most analy8cal standards not made yet, need to be synthesized •  Packed GC columns provided very limited resolving power •  No personal computers or google searches •  Literature search began in library, with paper journals and took days/weeks
  10. 10. © 2016 Chemistry Ma2ers Inc. Current Day PCB Analysis 10 INEF 2016 – Örebro, Sweden •  Isotopically labeled standards available •  Large propor8on of the 209 congeners can be chromatographically resolved (in 1D-GC •  Aroclor analysis s8ll quite common •  If congener analysis conducted, only for a reduced number of congeners •  Why? 1242 1254 1260 Dataphobia?
  11. 11. © 2016 Chemistry Ma2ers Inc. Aroclors Herring Gull Human Polar Bear CB153 CB180 CB138/ CB163 CB170/ CB190 CB99 • up to 120 congeners • CDC monitors top 38 How Many PCBs to Measure? 11 INEF 2016 – Örebro, Sweden
  12. 12. © 2016 Chemistry Ma2ers Inc. PCB Metabolites Discovered 12 INEF 2016 – Örebro, Sweden •  A decade later (1976), Dr. Soren Jensen s8ll analyzing PCBs in biota •  Leg the laboratory in a hurry one evening •  Data was collec8ng on a Bal8c Seal sample •  A group of peaks elu8ng late from the GC- ECD •  Chemically synthesized standards to confirm iden8fica8on •  Iden8fied new compound group - metabolites of PCBs –  methylsulfonyl-PCBs –  Opened new research into the field of POP metabolites •  Comparing PCBs to metabolites, need as many PCBs as possible measured in the samples Jensen , Ambio 1976 Vol. 5, No. 5/6, 257-260 Swedish Environmental Protection Agency, Persistent Organic Pollutants, 1998, pp. 152.
  13. 13. © 2016 Chemistry Ma2ers Inc. Was the discovery of PCBs and PCB metabolites Environmental Forensics? 13 INEF 2016 – Örebro, Sweden •  Not for li8ga8on •  Not determining source •  Not determining 8ming of the release •  It was iden8fying the contaminants for the first 8me. That seems to be forensics •  Making scien8fic sense of the data…
  14. 14. © 2016 Chemistry Ma2ers Inc. Environmental forensics is NOT only for li8ga8on 14 INEF 2016 – Örebro, Sweden Point 1
  15. 15. © 2016 Chemistry Ma2ers Inc. Forensics •  Ancient roman 8mes •  Forensics is derived from la8n “forens”, meaning of, belonging to the forum, public 15 INEF 2016 – Örebro, Sweden http://www.crystalinks.com/romelaw.html •  Environmental forensics – determining idenBty, source, or Bming of contaminant release for the purpose of public communicaBon and/or liBgaBon.
  16. 16. © 2016 Chemistry Ma2ers Inc. PCDD/Fs 16 INEF 2016 – Örebro, Sweden
  17. 17. © 2016 Chemistry Ma2ers Inc. Selected History of POPs 17 INEF 2016 – Örebro, Sweden •  PCB manufacturing – 1930 •  DDT manufacturing – 1940 •  245-T manufacturing begins - 1940 •  Hexachlorophene produc8on – 1948 •  DDT measured in biota – 1950s •  Vietnam War – Agent Orange use 1961 - 1972 •  PCBs discovered in biota - 1966 •  Times Beach - 1971 •  Seveso Italy - 1976 Clement R et al., Analytical Chemistry, 1991, 63, 1130A–1139A. 1971 1988
  18. 18. © 2016 Chemistry Ma2ers Inc. Early InvesPgaPons in Dioxin Contaminated Agent Orange and Chlorinated Phenols •  Chromatogram of early dioxin analysis of Agent Orange •  Inves8gators began by iden8fying all congeners for chlorinated dioxins and furans in the chromatograms –  210 congeners exist •  Using mass spectrometry and glass packed columns •  Synthesized compounds for posi8ve iden8fica8on 18 INEF 2016 – Örebro, Sweden Rappe C et al., Chemosphere, 1978, 5, 431–438.
  19. 19. © 2016 Chemistry Ma2ers Inc. Rappe C, Gara A, Buser H.R, Chemosphere, 1978, 12, 981 – 991. 19 INEF 2016 – Örebro, Sweden A study of PCDD/Fs in Chlorophenol Formulations
  20. 20. © 2016 Chemistry Ma2ers Inc. Toxicology Takes Over •  In 1973, AhR iden8fied as mediator of dioxin toxicity •  Extensively studied to iden8fy structural requirements for binding to AhR •  TCDD and 2378 subs8tuted PCDDs/PCDFs fit nicely in binding site –  mid-1980s – binding site defined •  Toxic equivalents and toxicity equivalency factors born 20 INEF 2016 – Örebro, Sweden Okey A, Toxicological Sciences, 2007, 98, 5–38. Pandini A. et al, Biochemistry, 2009, 48, 5972–5983
  21. 21. © 2016 Chemistry Ma2ers Inc. Toxicity Equivalency Factors •  EPA proposed TEFs 1989 •  Based on AhR binding affinity •  Need chlorines in the 2,3,7,8 posi8ons for efficient binding •  Only 17 congeners PCDD/Fs have the required 2378 subs8tu8on •  Have been measured ever since 21 INEF 2016 – Örebro, Sweden 1 2 3 4 9 6 8 7 5 PnCDDs
  22. 22. © 2016 Chemistry Ma2ers Inc. Fast Forward to Present Day •  Li8ga8on regarding contaminants at Superfund sites across the US •  Source of dioxin at these loca8ons in ques8on •  With only 2378 subs8tuted congeners for forensics, looks like it is all 2378TCDD INEF 2016 – Örebro, Sweden Photograph by A. L. Young Or is it… 22
  23. 23. © 2016 Chemistry Ma2ers Inc. Company Diamond Alkali Syntex (NEPACCO) Monsanto (Nitro) Occidental (Hooker) Dow (Midland) Hercules and Transvaal/Vertac Order of Addition caustic to TeClBz caustic to TeClBz TeClBz to caustic All in at start caustic to TeClBz All in at start Expect slight differences in PCDD/F fingerprint due to the manner of manufacture (and temperature). 23 INEF 2016 – Örebro, Sweden Different 245-TCP production processes •  245-T produced from 245- trichlorophenol •  In 1960s, US Military (under Defense Produc8on Act of 1950) required all capacity of 245-TCP to produce tac8cal military herbicides •  245-TCP produced from tetrachlorobenzene 1245-Tetrachlorobenzene 245-Trichloroanisole 245-Trichlorophenate Base Heat
  24. 24. © 2016 Chemistry Ma2ers Inc. 24 INEF 2016 – Örebro, Sweden + + -HCl -Cl2 -2HCl 245-TCP 245-TCP 245-TCP 2345-TeCBz 2378-TCDF 2378-TCDD A. Hay, 1982, Plenum Press. Formation of TCDD and TCDF During 245-TCP Production
  25. 25. © 2016 Chemistry Ma2ers Inc. Production of 245-TCP – Process 1 0 20 40 60 80 100 0 50 100 150 200 250 300 CompositionofReactionMass: PercentofmolesofComponentsIndicated Reaction Time: Minutes Caustic added to Tetrachlorobenzene 25 INEF 2016 – Örebro, Sweden
  26. 26. © 2016 Chemistry Ma2ers Inc. Reaction Vessel - 0 minutes Methanol and caustic Tetrachlorobenzene and PCE 0 20 40 60 80 100 0 50 100 150 200 250 300 + + = 2378-TCDF = 2378-TCDD HEAT 26 INEF 2016 – Örebro, Sweden
  27. 27. © 2016 Chemistry Ma2ers Inc. Reaction Vessel - 5 minutes Mostly Tetrachlorobenzene and few molecules of 245TCP 0 20 40 60 80 100 0 50 100 150 200 250 300 + + = 2378-TCDF = 2378-TCDD 245-TCP forms in reactor 27 INEF 2016 – Örebro, Sweden HEAT
  28. 28. © 2016 Chemistry Ma2ers Inc. Reaction Vessel - 30 minutes 50% Tetrachlorobenzene 50% 245TCP 0 20 40 60 80 100 0 50 100 150 200 250 300 + + = 2378-TCDF = 2378-TCDD 28 INEF 2016 – Örebro, Sweden HEAT
  29. 29. © 2016 Chemistry Ma2ers Inc. Reaction Vessel - 60 minutes Trace Tetrachlorobenzene Mostly 245TCP 0 20 40 60 80 100 0 50 100 150 200 250 300 + + = 2378-TCDF = 2378-TCDD 29 INEF 2016 – Örebro, Sweden HEAT
  30. 30. © 2016 Chemistry Ma2ers Inc. 30 Formation of Other PCDD/Fs During 245-TCP Production Any chlorinated benzene Any chlorinated phenol formed Multiple PCDD/F Congeners Add Base •  Chlorinated benzenes not 100% pure •  Any other chlorinated benzenes present would form uninten8onal chlorinated phenols which would form mul8ple PCDDs/PCDFs (other than 2347-TCDD) INEF 2016 – Örebro, Sweden
  31. 31. © 2016 Chemistry Ma2ers Inc. ProducPon of 245-T from 245-TCP 245-T contains predominantly 2378- TCDD as a contaminant BUT… Hypothesis •  The different produc8on processes for 245-TCP (thus, 245-T) would result in different PCDD/F fingerprints •  Fingerprints of PCDD/Fs other than the 2378 subs8tuted congeners would poten8ally dis8nguish between manufacturers 31 INEF 2016 – Örebro, Sweden Rappe C et al., Chemosphere, 1978, 5, 431–438.
  32. 32. © 2016 Chemistry Ma2ers Inc. 32 Dataphobia The fear of having too much data… And the Cl1 to Cl3 homologues INEF 2016 – Örebro, Sweden TEQ in Soil 61800 ng/g TEQ 210 (136 standards) 17 1
  33. 33. © 2016 Chemistry Ma2ers Inc. Environmental forensics inves8ga8ons should not be limited to regulatory compounds. 33 INEF 2016 – Örebro, Sweden Point 2
  34. 34. © 2016 Chemistry Ma2ers Inc. PAHs 34 INEF 2016 – Örebro, Sweden
  35. 35. © 2016 Chemistry Ma2ers Inc. www.chemistry-matters.com 35 US EPA 16 Priority Pollutants PAH CompoundsWhen were the 16 PAHs selected? acenaphthene 1,2-dihydroacenaphthylene 1,8-ethylnaphthalene Naphthyleneethylene peri-ethylenenaphthalene acenaphthylenenaphthalene anthracene paranaphthalene phenanthrene 3-Helicene ravatite 9H-fluorene Fluorene 2,2’-methylenebiphenyl o-biphenylenemethane diphenylenemethane chrysene 1,2-benzophenanthrene benzo(a)phenanthrene fluoranthene Pyrene benzo(def)phenanthrene tetraphene benz(a)anthracene benzo(a)anthracene 1,2-benzanthracene 2,3-benzophenanthrene benzo(b)phenanthrene benzo(e)acephenanthrylene benzo(b)fluoranthene 2,3-benzfluoranthene 3,4-benz(e)acephenanthrylene benzo[k]fluoranthene 11,12-benzofluoranthene 2,3,1’,8’binaphthylene dibenzo(b,jk)fluorene 8,9-benzofluoranthene benzo(k)tetraphene 1,2:5,6-dibenzanthracene dibenzo(a,h)anthracene benzo(pqr)tetraphene benzo(a)pyrene 3,4-benzpyrene 1,2-benzpyrene benzo(def)chrysene benzo(ghi)perylene 1,12-benzoperylene indeno[1,2,3-cd]pyrene 1,1-(1,2-phenylene)pyrene 1,10-(o-phenylene)pyrene 2,3-o-phenylenepyrene 35INEF 2016 – Örebro, Sweden *Established in 1976
  36. 36. © 2016 Chemistry Ma2ers Inc. Double RaPo Plots to DisPnguish Source 36 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) INEF 2016 – Örebro, Sweden Kinetically Favoured Thermodynamically Favoured
  37. 37. © 2016 Chemistry Ma2ers Inc. Know the fundamental principles behind the graphs and diagnos8c ra8os. 37 INEF 2016 – Örebro, Sweden Point 3
  38. 38. © 2016 Chemistry Ma2ers Inc. Expanding the List of PAHs Alkylated-PAHs and Other PAHs C1-Phenanthrenes 1 2 3456 7 8 9 10 CH3 C2-Phenanthrenes Phenanthrene CH3 CH3 CH3 H3C CH2 CH3 C3-Phenanthrenes C4-Phenanthrenes… (?) CH3 CH3 CH3 CH2 H2C CH3 (5) (30) (?) 38 INEF 2016 – Örebro, Sweden
  39. 39. © 2016 Chemistry Ma2ers Inc. Chromatography Gets Busy C1-DBT C2-DBT C3-DBT C4-DBT 39 INEF 2016 – Örebro, Sweden
  40. 40. © 2016 Chemistry Ma2ers Inc. Expanding the List of PAHs •  Heteroatom PAHs need to be included (collec8vely called NSO- heterocycles) •  Proposed 40 PAHs and 23 NSO- heterocycles 40 INEF 2016 – Örebro, Sweden Anderson JT et al., PACs, 2015, 35, 330. Carbazole Benzothiophene Quinolinone
  41. 41. © 2016 Chemistry Ma2ers Inc. Petroleum Hydrocarbons 41 INEF 2016 – Örebro, Sweden
  42. 42. © 2016 Chemistry Ma2ers Inc. TPH nC32 nC8 nC9 nC10 nC12 nC11 nC13 nC14 nC15 nC16 nC17 nC18 nC19 nC20 nC21 nC22 nC23 nC24 nC25 nC26 nC27 nC29 nC28 nC30 nC31 nC33 nC34 nC35 nC36 nC37 nC38 Gasoline Diesel Lubricating Oils C6 C10 F1 C16 F2 C34 C50 F4F3 PAHs Biomarkers 42 INEF 2016 – Örebro, Sweden
  43. 43. © 2016 Chemistry Ma2ers Inc. 43 Muskeg is a very rich organic environment > 50% TOC PHC Fractions analysis cannot differentiate natural hydrocarbons (phytogenic) from petroleum hydrocarbons (petrogenic). INEF 2016 – Örebro, Sweden
  44. 44. © 2016 Chemistry Ma2ers Inc. Origin of PHCs – Recent Case Study PHCs Present? 44 INEF 2016 – Örebro, Sweden
  45. 45. © 2016 Chemistry Ma2ers Inc. PHC FracPons Results 45 PHC F3 – above guidelines in background areas. INEF 2016 – Örebro, Sweden
  46. 46. © 2016 Chemistry Ma2ers Inc. Natural Peat 46 F2 F3 F4 290 2300 800 Prominent peaks Typical paoern for peat INEF 2016 – Örebro, Sweden
  47. 47. © 2016 Chemistry Ma2ers Inc. Mixture of Source Material and Natural Peat 47 F2 F3 F4 320 3100 1300 Clear mixture of petroleum source and peat chemicals INEF 2016 – Örebro, Sweden
  48. 48. © 2016 Chemistry Ma2ers Inc. Biomarker Analysis 48 Chemicals found in petrogenic hydrocarbons and not found in phytogenic hydrocarbons. o  Terpanes – prokaryotes (archaea and bacteria) o  Steranes – eukaryotes (plants and animals) INEF 2016 – Örebro, Sweden
  49. 49. © 2016 Chemistry Ma2ers Inc. Diagenesis Sterols to Steranes 49 Cholestadienol Cholestane Diagenesis Plant structural membrane chemical Oil biomarker Diagenesis – low pressure and low temperature change in deposited sediment as it undergoes solidifica8on. INEF 2016 – Örebro, Sweden
  50. 50. © 2016 Chemistry Ma2ers Inc. Source Sample Steranes and Hopanes 50 C23, C24, C25, C26 Tricyclic Terpanes Hopanes INEF 2016 – Örebro, Sweden
  51. 51. © 2016 Chemistry Ma2ers Inc. Biomarkers in Site Samples Petroleum Biomarker Standard Site Sample 51 INEF 2016 – Örebro, Sweden
  52. 52. © 2016 Chemistry Ma2ers Inc. Peat Sample Fa2y Acids and Alcohols 52 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 INEF 2016 – Örebro, Sweden
  53. 53. © 2016 Chemistry Ma2ers Inc. Peat Sample Sterols 53 Gamma-sitasterol Ergosterol Cholestadienol Cyclolanostanol INEF 2016 – Örebro, Sweden
  54. 54. © 2016 Chemistry Ma2ers Inc. Plant cell structure 54 Sterols Fa2y acids Fa2y acids INEF 2016 – Örebro, Sweden
  55. 55. © 2016 Chemistry Ma2ers Inc. The science needs to be communicated so non-scien8sts can understand and communicated with scien8fic certainty (as much as possible). 55 INEF 2016 – Örebro, Sweden Point 4 Science is not finished unBl it is communicated. - Mark Walport
  56. 56. © 2016 Chemistry Ma2ers Inc. State of Knowledge – AnalyPcal Chemistry 56 INEF 2016 – Örebro, Sweden •  We can: – extract more things and analyze more frac8ons easier – separate more compounds for iden8fica8on and quan8fica8on – measure compounds to extremely low concentra8ons (ppq)
  57. 57. © 2016 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] How Low Can We Go? Jef Focant, Donald G. Patterson Jr, Wayman Turner Zoex - loop modulator 57 INEF 2016 – Örebro, Sweden
  58. 58. © 2016 Chemistry Ma2ers Inc. Extreme Sensitivity (2,3,7,8-TCDD) Weight Moles Molecules Microgram (10-6) 3 Nanomoles (10-9) 2,000,000,000,000,000 Nanogram (10-9) 3 Picomoles (10-12) 2,000,000,000,000 Picogram (10-12) 3 Femtomoles (10-15) 2,000,000,000 Femtogram (10-15) 3 A2omoles (10-18) 2,000,000 A2ogram (10-18) 3 Zeptomoles (10-21) 2,000 Zeptogram (10-21) 3 Yaktomoles (10-24) 2 Yaktogram (10-24) 3 Fantomoles (10-27) 0.002 Currently at the attogram level with cryofocusing coupled with high resolution mass spectrometry Dr. Donald G. Patterson, Jr. 58 INEF 2016 – Örebro, Sweden
  59. 59. © 2016 Chemistry Ma2ers Inc. Complexity? Conventional GC Analysis Unresolved Complex Matter Nelson et al. Environmental Forensics, 7:33–44, 2006 59 INEF 2016 – Örebro, Sweden
  60. 60. © 2016 Chemistry Ma2ers Inc. Two-Dimensional Gas Chromatography Nelson et al. Environmental Forensics, 7:33–44, 2006 6060 INEF 2016 – Örebro, Sweden A few more than 16 PAHs! (0.2 - 7% of oil)
  61. 61. © 2016 Chemistry Ma2ers Inc. Environmental Forensics in the Gulf Oil Spill •  Reddy et al. sampled oil directly above well to conduct comprehensive characterization –  Gas isotopes, GOR, fluid characteristics, API etc. –  Fingerprinted with 2D-GC-TOF –  Could distinguish between crudes Reddy et al. 2011, PNAS Early Edition, p.1-6 61 INEF 2016 – Örebro, Sweden
  62. 62. © 2016 Chemistry Ma2ers Inc. Environmental Forensics in the Gulf Oil Spill •  Hall et al. took 41 samples (slicks, scrapings off rocks, grasses and debris, sand patties etc) •  Oxidized hydrocarbons comprised of more than 50% of extractable hydrocarbons •  Used 2D-GC-TOF of samples compared to oil to assess weathering of oil spill using chemometric techniques Hall et al. 2013, Marine Pollution Bulletin, 75 (1–2), 140 62 INEF 2016 – Örebro, Sweden
  63. 63. © 2016 Chemistry Ma2ers Inc. Picture is Work a Thousand Words Dr. Ralph Ruffolo 6363 INEF 2016 – Örebro, Sweden
  64. 64. © 2016 Chemistry Ma2ers Inc. Need Visuals for Communication Gas Station 1 Gas Station 2 Dr. Ralph Ruffolo 64 INEF 2016 – Örebro, Sweden
  65. 65. © 2016 Chemistry Ma2ers Inc. Use of powerful visuals to simplify the complexity into something that is easy to understand and retain. 65 INEF 2016 – Örebro, Sweden Point 5
  66. 66. © 2016 Chemistry Ma2ers Inc. What is holding back environmental forensics? OR What is the next step? 66 INEF 2016 – Örebro, Sweden
  67. 67. © 2016 Chemistry Ma2ers Inc. Handling more data/informaPon 67 INEF 2016 – Örebro, Sweden http://photos1.blogger.com/blogger/6941/1270/1600/toomuchpaper.jpg
  68. 68. © 2016 Chemistry Ma2ers Inc. MulP-Variate StaPsPcal Analysis 68 INEF 2016 – Örebro, Sweden •  Even a PCA requires data input, cannot just dump in 2D-GC raw data files •  More efficient data handling techniques are required
  69. 69. © 2016 Chemistry Ma2ers Inc. 2D-GC Chromatogram •  Benzene •  Toluene •  C2-benzenes •  C3-benzenes •  C4-benzenes •  C5-benzenes •  C1-Naphthalenes •  Indanes (throughout) 6th Multidimensional Chromatography Workshop Jan 6 & 7, 2015 69 INEF 2016 – Örebro, Sweden
  70. 70. © 2016 Chemistry Ma2ers Inc. PCA Data Interpretation -8 -6 -4 -2 0 2 4 6 8 10 -10 -8 -6 -4 -2 0 2 4 6 8 10 12 PC2(13.31%) PC1 (61.03%) PC1 describes process of fire-alteration 6th Multidimensional Chromatography Workshop Jan 6 & 7, 2015 Fresh gasolinesBurnt gasolines 70 INEF 2016 – Örebro, Sweden
  71. 71. © 2016 Chemistry Ma2ers Inc. Middle East Crude Oil 1 Saskatchewan Crude Middle East Crude Oil 2 Middle East Crude Oil 3 Crude Oil Investigation 71 INEF 2016 – Örebro, Sweden
  72. 72. © 2016 Chemistry Ma2ers Inc. Big Data is Coming – Are you Ready? 72 INEF 2016 – Örebro, Sweden http://itknowledgeexchange.techtarget.com/IT-watch-blog/files/2013/05/shutterstock_134968730.jpg
  73. 73. © 2016 Chemistry Ma2ers Inc. Concluding Statements •  Environmental forensics should be founded on fundamental science –  Know the background science so it can be explained •  Communica8on of EFIs is more important than the inves8ga8on itself –  There is some mistrust of scien8sts saying “trust me” •  Don’t be afraid of more data –  Expand chemicals for inves8ga8ons beyond regula8on requirements •  Need to prepare for data 73 INEF 2016 – Örebro, Sweden
  74. 74. © 2016 Chemistry Ma2ers Inc. Thank you for your attention Contact Info: Chemistry Matters Inc. Court Sandau Cell: 403.669.8566 Email: csandau@chemistry-matters.com URL: chemistry-matters.com Visit my website and sign up for email for automatic receipt of my blogs! Twitter: @Chem_Matters Slideshare: www.slideshare.net/csandau 74 www.chemistry-maoers.com

×