Detection and classification of organophosphate nerve agent simulants using support vector machines with multiarray sensors

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 2, 2004, Pages 499-507

  Sadik, Omowunmi ^a   Land Jr , Walker H ^b   Wanekaya, Adam K ^a   Uematsu, Michiko ^a   Embrechts, Mark J ^c   Wong, Lut ^b   Leibensperger, Dale ^b   Volykin, Alex ^b  

^a BINGHAMTON UNIVERSITY   (United States)

^b State University of New York at Binghamton   (United States)

^c RENSSELAER POLYTECHNIC INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AGENTS; CHEMICAL WARFARE; COMPUTATIONAL METHODS; DATA REDUCTION; ENZYMES; POLYNOMIALS; SENSORS;

MULTIARRAY SENSORS; ORGANOPHOSHATE NERVE AGENT SIMULANTS; SUPPORT VECTOR MACHINES;

PHOSPHATES;

EID: 1842639382     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci034220i     Document Type: Article

References (62)

1. (a) Donarski, W. J.; Dumas, D. P.; Heitmeyer, D. P.; Lewis, V. E.; Raushel, F. M. Structure-Activity Relationships in the Hydrolysis of Substrates by the Phosphotriesterase from Pseudomonas diminuta Biochemistry 1989, 28, 4650-4655.
2. (b) Chapalamadugu, S.; Chaudhry, G. S. Microbiological and Biotechnological Aspects of Metabolism of Carbamates and Organophosphates. Crit. Rev. Biotechnol. 1992, 12, 357-389.
3. (c) Food and Agricultural Organization of the United Nations (FAO), Rome, FAO Prod. Yearbook 1989, 43, 320.
4. (a) United States Department of Agriculture. Agricultural Statistics; United States Government Printing Office: Washington, DC, 1992; p 395.
5. (b) Compton, J. A. Military Chemical and Biological Agents; Telford Press: Caldwell, NJ, 1988; p 135.
6. Sherma, J. Pesticides. Anal. Chem. 1993, 65, R40-R54.
7. Sherma, J. Pesticides. Anal. Chem. 1995, 67, R1-R20.
8. (a) Everett, W. R.; Rechnitz, G. A. Mediated Bioelectrocatalytic Determination of Organophosphorus Pesticides with a Tyrosinase-Based Oxygen Biosensor. Anal. Chem. 1998, 70, 807.
9. (b) Mulchandani, A.; Kaneva, I.; Chen, W. Biosensor for Direct Determination of Organophosphate Nerve Agents Using Recombinant Escherichia coli with Surface-Expressed Organophosphorus Hydrolase. 2. Fiber-Optic. Anal. Chem. 1998, 70, 5042.
10. (c) Abad, J. M.; Pariente, F.; Hernandez, Abruna, H. D.; Lorenzo, E. Determination of Organophosphorus and Carbamate Pesticides Using a Piezoelectric Biosensor. Anal. Chem. 1998, 70, 2848.
11. (a) Mulchandani, A.; Mulchandani, A.; Chen, W. Amperometric Thick-Film Strip Electrodes for Monitoring Organophosphate Nerve Agents Based on Immobilized Organophosphorus Hydrolase. Anal. Chem. 1999, 71, 2246.
12. (b) Mulchandani, P.; Chen, W.; Mulchandani, A. Flow Injection Amperometric Enzyme Biosensor for Direct Determination of Organophosphate Nerve Agents. Environ. Sci. Technol. 2001, 35, 2562.
13. (c) Mulchandani, P.; Chen, W.; Mulchandani, A.; Wang, J.; Chen, L. Amperometric microbial biosensor for direct determination of organophosphate pesticides using recombinant micoorganism with surface expressed organophosphorus hydrolase. Biosens. Bioelectron. 2001, 16, 433.
14. Karousos, N. G.; Aoubdi, S.; Way, A. S.; Reddy, S. M. Quartz crystal microbalance determination of organophosphorus and carbamate pesticides. Anal. Chim. Acta 2002, 469, 189.
15. Wang, J.; Krause, R.; Block, K.; Musameh, M.; Mulchandani, A.; Mulchandani, P.; Chen, W.; Schoning, M. J. Dual amperometric-potentiometric biosensor detection system for monitoring organophosphorus neutrotoxins. Anal. Chim. Acta 2002, 469, 197-203.
16. (a) Sadik O. A.; Land W.; Wang J. Targeting Chemical and Biological Warfare Agents at the Molecular Level. Electroanalysis 2003, 15, 1149
17. (b) Ciucu A. A.; Negulescu, C.; Baldwin, R. P. Detection of pesticides using an amperometric biosensor based on ferophthalocyanine chemically modified carbon paste electrode and immobilized bienzymatic system. Biosens. Bioelectron. 2003, 18, 303.
18. (c) Sadik, O. A.; Van Emon J. M, Applications of electrochemical immunosensors to environmental monitoring. Biosens. Bioelectron. 1996, 11, 9.
19. (d) Sadik, O. A.; Ngundi, M. M.; Yan, F. Biotechnology and Bioprocess Engineering 2000, 5, 407.
20. Grate J. W.; RosePehrsson S.; Venezky, D. L.; Klusty, M.; Wohltjen, H. Smart sensor system for trace organophosphorus and organosulfur vapor detection employing a temperature-controlled array of surface acoustic wave sensors, automated sample preconcentration, and pattern recognition. Anal. Chem. 1993, 65, 1868-1881.
21. (a) Grate J. W.; Abraham M. H. Solubility interactions and the design of chemically selective sorbent coatings for chemical sensors and arrays. Sens. Actuators, B 1991, 3, 85.
22. (b) Steter, J. R., Jurs, P. C., Rose, S. L. Anal. Chem. 1986, 58, 860.
23. (c) Pearce T. C.; Gardner J. W.; Friel, S.; Bartlett, P. N.; Blair, N. Electronic Nose for Monitoring the Flavor of Beers. Analyst 1993, 118, 371.
24. (d) Rose-Pehrsson, S. L.; Grate, J. W.; Ballantine, D. S. Jr.; Jurs, P. C. Detection of Hazardous Vapors Including Mixtures Using Pattern-Recognition Analysis of Responses from Surface Acoustic-Wave Devices. Anal. Chem. 1988, 60, 2801.
25. (e) Zellers E. T.; Batterman, S. A.; Han, M.; Patrash, S. J. Optimal Coating Selection for the Analysis of Organic Vapor Mixtures with Polymers-Coated Surface-Acoustic-Wave Sensor Arrays. Anal. Chem. 1995, 67, 1092.
26. (f) Nagle, H. T.; Schiffman, S. S.; Gutierrez-Osuna, R. Electronic nose technology: an overview. IEEE Spectrum 1998, Sept, 22.
27. (f) Lonergan, M. C.; Severin, E. J.; Dolema, B. J.; Beaber, S. A.; Grubbs, R. H.; Lewis, N. S. Array-Based Vapor Sensing Using Chemically Sensitive, Carbon Black-Polymer Resistors. Chem. Mater. 1996, 8, 2298.
28. (g) Grate, J.; Abraham, M. Solubility interactions and the design of chemically selective sorbent coatings for chemical sensors and arrays. Sens. Actuators 1991, 3, 85.
29. (a) Kress-Rogers, E., Ed. Handbook of Biosensors and Electronic Noses; CRC Press: Boca Raton, FL, 1997.
30. (b) Persaud, K. C.; Khaffaf, S. M.; Hobbs, P. J.; Sneath, R. W. Assessment of conducting polymer odor sensors for agricultural malodor measurements. Chem. Senses 1996, 21, 495.
31. (c) Masila, M. M.; Sadik, O. A. Electronic Nose for Detection of Polyaromatic Hydrocarbons. ACS Symp. Ser. 2000, 762, 37.
32. (a) Persaud, K. C.; Khaffaf, S. M.; Payne, J. S.; Pisanelli, A. M.; Lee, D.; Byun, H. Sensor array techniques for mimicking the mammalian olfactory system. Sens. Actuators, B 1996, 35, 267.
33. (b) Persaud, K. C.; Khaffaf, S. M.; Hobbs, P. J.; Sneath, R. W. Assessment of conducting polymer odor sensors for agricultural malodor measurements. Chem. Senses 1996, 21, 495.
34. (a) Walt, D. R.; Dickinson, T. A.; White, J.; Kauer, J.; Johnson, S.; Engelhart, H.; Sutter, H.; Jurs, P. Optical sensor arrays for odor recognition Biosens. Bioelectron. 1998, 13, 697.
35. (b) Dickinson, T. A.; White, J.; Kauer, J.; Walt, D. R. A chemical-detecting system based on a cross-reactive optical sensor array. Nature 1996, 382, 697.
36. (c) Rakow, N. A.; Suslick, K. S. A colorimetric sensor array for odor visualization. Nature 2000, 406, 710.
37. (a) Jurs, P. C.; Bakken, G. A.; McClelland, H. E. Computational Methods for the Analysis of Chemical Sensor Array Data from Volatile Analytes. Chem. Rev. 2000, 100, 2649.
38. (b) Hines, E. L.; Llobet, E.; Gardner, J. W. Electronic noses: A review of signal processing techniques. IEEE Proc. Circuits Devices Syst. 1999, 146, 297.
39. (c) Gardner, J. W.; Batlett, P. N. Pattern Recognition in Gas Sensing. In Techniques and Mechanisms in Gas Sensing; Moseley, P. T., Norris, J., William, D., Eds.; Adam-Hilger: Bristol, UK, 1981.
40. Masila, M.; Breimer, M.; Sadik, O. A. Electronic Noses and Sensor Array Based Systems - Design and Applications; Hurst, W. J., Ed.; Technomic: Lancaster, PA, 1999; p 27.
41. Roca, S.; Delgadillo, I.; Ferrer Correia, A. J.; Barroa, A.; Wells, P. Application of an Electronic Aroma Sensing System to Cork Stopper Quality Control. J. Agric. Food Chem. 1998, 46, 145.
42. 2S analysis and olfatometry. Water Res. 1999, 33, 453.
43. (b) Stuetz, R. M.; Fenner, R. A.; Engin, G. Characterization of wastewater using an electronic nose. Water Res. 1999, 33, 442.
44. Gibson, T. D.; Presser, O.; Holberg, J. N.; Marshall, R. W.; Corcoran, P.; Lowery, P.; Ruck-Keene, E. A.; Heron, S. Detection and simultaneous identification of microorganisms from headspace samples using an electronic nose. Sens. Actuators, B 1997, 44, 413.
45. Pal, R. N. Soft computing for feature analysis. Fuzzy Sets Syst. 1999, 103, 201.
46. (a) Vapnik, V. Statistical Learning Theory; Wiley: New York, 1998.
47. (b) Vapnik, V. M. The Nature of Statistical Learning Theory; Wiley: New York, 1995.
48. (c) Cristianini, N.; Shawne-Taylor, C. Support Vector Machines and other Kernel-Based Learning Methods; Cambridge University Press: Cambridge, 2000.
49. (d) Platt, J. C. Fast training of Support Vector Machines Using Sequential Minimal Optimization. In Advances in Kernel Methods: Support Vector Training; Scholkopf, B., Burges, C., Smola, A., Eds.; MIT Press: Cambridge, MA, 1998 p. 185.
50. (a) Embrechts, M. J.; Bennet, K. P.; Breneman, C. www.drugmining.com, 2000.
51. (b) Keerthi, S. S.; Shevade, S. K. SMO algorithm for least-squares SVM formulations. Neural Comput, 2003, 15, 487-507.
52. (c) Evgeniou, T.; Pontil, M.; Poggio, T. Statistical Learning Theory: A primer. Int. J. Comput. Vision 2000, 38, 9-13.
53. (d) Evgeniou, T.; Pontil, M.; Poggio, T. Regularization Networks and Support Vector Machines. In Advances in Large Margin Classifiers; MIT Press: Cambridge, MA, 2000.
54. (a) Fung, G.; Mangasarian, O. L. Proximal Support Vector Machine Classifiers. In Proceedings KDD 2001, San Francisco, CA, 2001.
55. (b) Poggio T.; Smale, S. The Mathematics of Learning: Dealing with Data. To appear in Not. AMS, 2003.
56. (c) Schölkopf, B.; Smola, A. J. Learning with Kernels; MIT Press: Cambridge, MA, 2002.
57. Suykens, J. A. K.; VandeWalle, J. Least-squares support vector classifiers. Neural Process. Lett. 1999, 9, 293-300.
58. Drucker, H.; Wu, D.; Vapnik, V. N. Support Vector Machine for spam categorization. IEEC Trans. Neural Network 1999, 10, 1048-1054.
59. DeCoste, B.; Scholkopf B. Training invariant support vector machines. Mach. Learn. 2002, 46, 161-190.
60. Furey, T. S.; Cristianini N.; Duffy, N.; Bednarski, D. W.; Schummer, M.; Haussler D. Support vector machine classification and validation of cancer tissue samples using microarray expression data. Bioinformatics 2000, 16, 906-914.
61. Distance, C.; Ancona, N.; Siciliano, P. Support vector machines for olfactory signals recognition. Sens. Actuators, B 2003, 88, 30-39.
62. Land, W.; Sadik, O.; Leibensperger, D.; Breimer, M. Smart Engineering System Design: Neural Networks, Fuzzy Logic, Evolutionary Programming, Complex Systems and Artificial Life, Proceedings of the Artificial Neural Networks in Engineering Conference (ANNIE 2002); Cihan, A., Dagli, H., Buczak, A. L., Ghosh, J., Embrechts, M. J., Ersoy, O., Kernel, S. L., Eds., ASME Press: New York. 2002; Vol 12, pp 811-816.