Abstract
The affinity of azo and anthraquinone dyes for the cellulose fiber was first studied by the fragment approach in terms of the QSPR method. Linear-regression models that can prognosticate this parameter on the basis of descriptors taking into account the fragment composition of a molecule were suggested.
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REFERENCES
Timofei, S., Schmidt, W., Kurunczi, L., and Simon, Z., Dyes Pigm., 2000, vol. 47, nos.1–2, pp. 5–16.
Funar-Timofei, S. and Schruurmann, G., J. Chem. Inf. Compt. Sci., 2002, vol. 42, no.4, pp. 788–795.
Schruurmann, G. and Funar-Timofei, S., J. Chem. Inf. Compt. Sci., 2003, vol. 43, no.5, pp. 1502–1512.
Timofei, S. and Fabian, W.M.F., J. Chem. Inf. Compt. Sci., 1998, vol. 38, no.6, pp. 1218–1222.
Fabian, W.M.F. and Timofei, S., J. Mol. Struct., Theochem, 1996, no. 362, pp. 155–162.
Fabian, W.M.F., Timofei, S., and Kurunczi, L., J. Mol. Struct., Theochem, 1995, no. 340, pp. 73–81.
French, A.D., Battisla, O.A., Cuculo, J.A., and Gray, D.G., Kirk-Othmer Encyclopedia of Chemical Technology, 4th ed., New York: Wiley, 1993, vol. 5, p. 476.
Polanski, J., Gieleciak, R., and Wyszomirski, M., J. Chem. Inf. Comp. Sci., 2003, vol. 43, no.6, pp. 1754–1762.
Zefirov, N.S. and Palyulin, V.A., J.Chem. Inf. Compt. Sci., 2001, vol. 41, no.4, pp. 1022–1027.
Zhokhova, N.I., Palyulin, V.A., Baskin, I.I., et al., Izv. Akad. Nauk. Ser. Khim., 2003, no. 9, pp. 1787–1793.
Zhokhova, N.I., Palyulin, V.A., Baskin, I.I., et al., Zh. Prikl. Khim., 2003, vol. 76, no.12, pp. 1914–1919.
Zhokhova, N.I., Palyulin, V.A., Baskin, I.I., et al., Izv. Akad. Nauk. Ser. Khim., 2003, no. 5, pp. 1005–1009.
Zhokhova, N.I., Palyulin, V.A., Baskin, I.I., et al., Zh. Strukt. Khim., 2004, vol. 45, no.4, pp. 659–668.
Baskin, I.I., Palyulin, V.A., and Zefirov, N.S., QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications, Sanz, F., Giraldo, J., and Manaut, F., Eds., Barcelona: Prous Sci. Publishers, 1995, p. 30.
Baskin, I.I., Palyulin, V.A., and Zefirov, N.S., J. Chem. Inf. Comput. Sci., 1997, vol. 37, no.4, pp. 715–721.
Alberti, G., Cerniani, A., de Giori, M.R., and Seu, G., Tinctoria, 1980, no. 5, pp. 141–143.
Timofei, S., Schmidt, W., Kurunczi, L., et al., Dyes Pigm., 1994, vol. 24, no.4, pp. 267–279.
Petelin, D.E., Palyulin, V.A., and Zefirov, N.S., Dokl. Akad. Nauk, 1992, vol. 324, no.5, pp. 1019–1022.
Zefirov, N.S. and Palyulin, V.A., J. Chem. Inf. Compt. Sci., 2002, vol. 42, no.5, pp. 1112–1122.
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Translated from Zhurnal Prikladnoi Khimii, Vol. 78, No. 6, 2005, pp. 1034–1037.
Original Russian Text Copyright © 2005 by Zhokhova, Baskin, Palyulin, A. Zefirov, N. Zefirov.
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Zhokhova, N.I., Baskin, I.I., Palyulin, V.A. et al. A Study of the Affinity of Dyes for Cellulose Fiber within the Framework of a Fragment Approach in QSPR. Russ J Appl Chem 78, 1013–1017 (2005). https://doi.org/10.1007/s11167-005-0439-0
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DOI: https://doi.org/10.1007/s11167-005-0439-0


