Weighted Target Testing (WTT) - An improved principle for modeling reaction kinetics

Chemometrics and Intelligent Laboratory Systems

Volumn 96, Issue 2, 2009, Pages 123-131

  Imlinger, Nicolas C ^a,b,c   Krell, Manfred ^a   Buchmeiser, Michael R ^b,c  

^a WACKER CHEMIE AG   (Germany)

^b LEIBNIZ INSTITUTE OF SURFACE ENGINEERING IOM   (Germany)

^c UNIVERSITY OF LEIPZIG   (Germany)

Author keywords

Chemometrics; Hard modeling; Reaction kinetics; Spectroscopy; Weighted Target Testing (WTT)

Indexed keywords

ARTICLE; CHEMICAL REACTION KINETICS; CONTROLLED STUDY; COST; MATHEMATICAL MODEL; PERFORMANCE; PRIORITY JOURNAL; SIMULATION; SPECTROSCOPY; TIME SERIES ANALYSIS; WEIGHTED TARGET TESTING;

EID: 64249143625     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemolab.2008.04.001     Document Type: Article

References (46)

1. Imlinger N.C., Krell M., and Buchmeiser M.R. Monatsh. Chem. 138 (2007) 285-291
2. N.C. Imlinger, C. Blattner, M. Krell, and M.R. Buchmeiser, Proceedings of the 10th Scandinavian Symposium on Chemometrics, 10-15 June 2007, Lappeenranta, Finland. J. Chemom., submitted for publication.
3. Zogg A., Fischer U., and Hungerbühler K. Chemometr. Intell. Lab. Syst. 71 (2004) 165-176
4. Puxty G., Maeder M., Rhinehart R.R., Samir A., Moore S., and Gemperline P.J. J. Chemom. 19 (2005) 329-340
5. Puxty G., Fischer U., Jecklin M., and Hungerbühler K. Chimia 60 (2006) 605-610
6. Tauler R., Smilde A., and Kowalski B. J. Chemom. 9 (1995) 31-58
7. Gemperline P.J., and Cash E. Anal. Chem. 75 (2003) 4236-4243
8. de Juan A., and Tauler R. Crit. Rev. Anal. Chem. 36 (2006) 163-176
9. Ruckebusch C., de Juan A., Duponchel L., and Huvenne J.P. Chemometr. Intell. Lab. Syst. 80 (2006) 209-214
10. Windig W., and Guilment J. Anal. Chem. 63 (1991) 1425-1432
11. Maeder M. Anal. Chem. 59 (1987) 527-530
12. Keller H.R., and Massart D.L. Chemom. Intell. Lab. Syst. 12 (1992) 209-224
13. Malinowski E.R. Factor Analysis in Chemistry (2002), John Wiley & Sons, Inc., New York, U.S.A.
14. de Juan A., Maeder M., Martinez M., and Tauler R. Chemometr. Intell. Lab. Syst. 54 (2000) 123-141
15. Diewok J., de Juan A., Maeder M., Tauler R., and Lendl B. Anal. Chem. 75 (2003) 641-647
16. Blanchet L., Ruckebusch C., Huvenne J.P., and de Juan A. Chemometr. Intell. Lab. Syst. 89 (2007) 26-35
17. Taavitsainen V.-M., and Jalava J.-P. Chemometr. Intell. Lab. Syst. 29 (1995) 307-319
18. Haario H., and Taavitsainen V.-M. Chemometr. Intell. Lab. Syst. 44 (1998) 77-98
19. Taavitsainen V.-M., and Haario H. J. Chemom. 15 (2001) 215-239
20. Taavitsainen V.-M., Haario H., and Laine M. J. Chemom. 17 (2003) 140-150
21. Dyson R., Maeder M., Puxty G., and Neuhold Y.-M. Inorg. React. Mech. 5 (2003) 39-46
22. Shrager R.I. Chemometr. Intell. Lab. Syst. 1 (1986) 59-70
23. Bijlsma S., Louwerse D.J., and Smilde A.K. AIChE J. 44 (1998) 2713-2723
24. Maeder M., and Zuberbühler A.D. Anal. Chem. 62 (1990) 2220-2224
25. Puxty G., Maeder M., and Hungerbühler K. Chemometr. Intell. Lab. Syst. 81 (2006) 149-164
26. Maeder M., Neuhold Y.-M., Puxty G., and Gemperline P. Chemometr. Intell. Lab. Syst. 82 (2006) 75-82
27. Maeder M., and Neuhold Y.-M. Practical Data Analysis in Chemistry (2007), Elsevier B.V., Amsterdam, NL
28. Wold S., Esbensen K., and Geladi P. Chemometr. Intell. Lab. Syst. 2 (1987) 37-52
29. Furusjö E., and Danielsson L.-G. Anal. Chim. Acta. 373 (1998) 83-94
30. Furusjö E., and Danielsson L.-G. Chemometr. Intell. Lab. Syst. 50 (2000) 63-73
31. Furusjö E., and Danielsson L.-G. J. Chemom. 14 (2000) 483-499
32. Amrhein M., Srinivasan B., Bonvin D., and Schumacher M.M. Chemometr. Intell. Lab. Syst. 33 (1996) 17-33
33. G.D. Puxty, Ph. D. Thesis, University of Newcastle, 2004.
34. Y.-M. Neuhold, Ph. D. Thesis, Universität Basel, 1999.
35. Bijlsma S., and Smilde A.K. J. Chemom. 14 (2000) 541-560
36. Bijlsma S., Louwerse D.J., Windig W., and Smilde A.K. Anal. Chim. Acta 376 (1998) 339-355
37. Bijlsma S., Louwerse D.J., and Smilde A.K. J. Chemom. 13 (1999) 311-329
38. Bijlsma S., Boelens H.F.M., Hoefsloot H.C.J., and Smilde A.K. J. Chemom. 16 (2002) 28-40
39. Long C. Math. Mag. 56 (1983) 161-167
40. Hairfield E.M., Moomaw E.W., Tamburri R.A., and Vigil R.A. J. Chem. Educ. 62 (1985) 175-177
41. Chen Z.-P., Liang Y.-Z., Jiang J.-H., Li Y., Qian J.-Y., and Yu R.-Q. J. Chemom. 13 (1999) 15-30
42. M. Amrhein, Ph. D. Thesis, École Polytechnique Fédérale de Lausanne, 1998.
43. Neuhold Y.-M., and Maeder M. J. Chemom. 16 (2002) 218-227
44. Ruckebusch C., Aloise S., Blanchet L., Huvenne J.P., and Buntinx G. Chemometr. Intell. Lab. Syst. 91 (2007) 17-27
45. Bisby R.H., and Thomas E.W. J. Chem. Educ. 63 (1986) 990-992
46. Chau F.T., and Mok K.W. Comput. Chem. 16 (1992) 239-242