PMID- 21215851
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20110408
LR  - 20110110
IS  - 1873-3573 (Electronic)
IS  - 0039-9140 (Linking)
VI  - 83
IP  - 4
DP  - 2011 Jan 30
TI  - Anionic forensic signatures for sample matching of potassium cyanide using high 
      performance ion chromatography and chemometrics.
PG  - 1166-72
LID - 10.1016/j.talanta.2010.08.017 [doi]
AB  - Potassium cyanide was used as a model toxicant to determine the feasibility of 
      using anionic impurities as a forensic signature for matching cyanide salts back 
      to their source. In this study, portions of eight KCN stocks originating from 
      four countries were separately dissolved in water and analyzed by high 
      performance ion chromatography (HPIC) using an anion exchange column and 
      conductivity detection. Sixty KCN aqueous samples were produced from the eight 
      stocks and analyzed for 11 anionic impurities. Hierarchal cluster analysis and 
      principal component analysis were used to demonstrate that KCN samples cluster 
      according to source based on the concentrations of their anionic impurities. The 
      Fisher-ratio method and degree-of-class separation (DCS) were used for feature 
      selection on a training set of KCN samples in order to optimize sample 
      clustering. The optimal subset of anions needed for sample classification was 
      determined to be sulfate, oxalate, phosphate, and an unknown anion named unk5. 
      Using K-nearest neighbors (KNN) and the optimal subset of anions, KCN test 
      samples from different KCN stocks were correctly determined to be manufactured in 
      the United States. In addition, KCN samples from stocks manufactured in Belgium, 
      Germany, and the Czech Republic were all correctly matched back to their original 
      stocks because each stock had a unique anionic impurity profile. The application 
      of the Fisher-ratio method and DCS for feature selection improved the accuracy 
      and confidence of sample classification by KNN.
CI  - Copyright A(c) 2010 Elsevier B.V. All rights reserved.
FAU - Fraga, Carlos G
AU  - Fraga CG
AD  - Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, WA 
      99352, USA. carlos.fraga@pnl.gov
FAU - Farmer, Orville T
AU  - Farmer OT
FAU - Carman, April J
AU  - Carman AJ
LA  - eng
PT  - Journal Article
PT  - Research Support, U.S. Gov't, Non-P.H.S.
DEP - 20100821
PL  - Netherlands
TA  - Talanta
JT  - Talanta
JID - 2984816R
EDAT- 2011/01/11 06:00
MHDA- 2011/01/11 06:01
CRDT- 2011/01/11 06:00
PHST- 2010/06/15 00:00 [received]
PHST- 2010/08/10 00:00 [revised]
PHST- 2010/08/13 00:00 [accepted]
PHST- 2011/01/11 06:00 [entrez]
PHST- 2011/01/11 06:00 [pubmed]
PHST- 2011/01/11 06:01 [medline]
AID - S0039-9140(10)00634-X [pii]
AID - 10.1016/j.talanta.2010.08.017 [doi]
PST - ppublish
SO  - Talanta. 2011 Jan 30;83(4):1166-72. doi: 10.1016/j.talanta.2010.08.017. Epub 2010 
      Aug 21.