Design of experiment (DoE) as a tool for the optimization of source conditions in SEC-ESI-MS of functional synthetic polymers synthesized via ATRP

Gruendling, T., Guilhaus, M., & Barner-Kowollik, C. (2009) Design of experiment (DoE) as a tool for the optimization of source conditions in SEC-ESI-MS of functional synthetic polymers synthesized via ATRP. Macromolecular Rapid Communications, 30(8).

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Design of experiment (DoE) is applied to establish the optimum ionization conditions for analyzing synthetic polymers via coupled size exclusion chromatography electrospray ionization mass spectrometry (SEC-ESI-MS) yielding maximum ionization efficiency. The ion source conditions wereoptimizedwithregard totheionization efficiency, theamountof fragmentation,aswellas the formation of salt adducts.A D-optimal experimental design was employed for this purpose and the recorded data were evaluated by a quadratic response surface model, accounting for possible interactions between the individual source settings. It was established that the ionization efficiency can be improved by up to one order of magnitude without compromising the softness of the ionization process and that optimal ionization conditions are found at similar source settings regardless of the charge state. The present optimizationexercisethereforeprovidesahandson guide for the use of experimental design to determine optimum ionization conditions during the SEC-ESI-MS of functional polymers. © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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ID Code: 99212
Item Type: Journal Article
Refereed: Yes
Additional Information: Cited By :31
Export Date: 5 September 2016
Correspondence Address: Barner-Kowollik, C.; Preparative Macromolecular Chemistry, Institut für Technische und Polymerchemie, Universität Karlsruhe (TH)/Karlsruhe Institute of Technology (KIT), Engesserstr. 18, 76128 Karlsruhe, Germany; email:
References: Barner, L., Davis, T.P., Stenzel, M.H., Barner-Kowollik, C., (2007) Macromol. Rapid Commun., 28, p. 539; Stenzel, M.H., (2008) Chem. Commun., 30, p. 3486; Yang, S., Li, Q., Chen, L., Chen, S., (2008) J. Mater. Chem., 18, p. 5599; quot;Handbook of RAFT Polymerization", C. Barner-Kowollik, Ed., Wiley-VCH, Weinheim 2008Perrier, S., Takolpuckdee, P., (2006) J. Polym. Sci. A: Polym. Chem., 43, p. 5347; Matyjaszewski, K., Xia, J., (2001) Chem. Rev., 101, p. 2921; Hawker, C.J., Bosman, A.W., Harth, E., (2001) Chem. Rev., 301, p. 3661; Barner-Kowollik, C., Davis, T.P., Stenzel, M.H., (2004) Polymer, 45, p. 7791; Hart-Smith, G., Lovestead, T., Davis, T.P., Stenzel, M.H., Barner-Kowollik, C., (2007) Biomacromolecules, 8, p. 2404; Hart-Smith, G., Chaffey-Millar, H., Barner-Kowollik, C., (2008) Macro-molecules, 41, p. 3023; Buback, M., Frauendorf, H., Günzler, F., Vana, P., (2007) Polym J. Sci., Polym. Chem., 45, p. 2453; Buback, M., Frauendorf, H., Günzler, F., Vana, P., (2007) Polymer, 48, p. 5590; Szablan, Z., Junkers, T., Koo, S.P.S., Lovestead, T., Davis, T.P., Stenzel, M.H., Barner-Kowollik, C., (2007) Macromolecules, 40, p. 6820; Scrivens, J.H., Jackson, A.T., (2000) Int. J. Mass Spectrom., 200, p. 261; Tanaka, K., (2003) Angew. Chem., Int. Ed., 42, p. 3861; Peacock, P.M., McEwen, C.N., (2006) Anal. Chem., 78, p. 3957; Weidner, S.M., Trimpin, S., (2008) Anal. Chem., 80, p. 4349; Polce, M.J., Ocampo, M., Quirk, R.P., Wesdemiotis, C., (2008) Anal. Chem., 80, p. 347; Gruendling, T., Hart-Smith, G., Davis, T.P., Stenzel, M.H., Barner-Kowollik, C., (2008) Macromolecules, 41, p. 1966; Jackson, A.T., Bunn, A., Priestnall, I.M., Borman, C.D., Irvine, D.J., (2006) Polymer, 47, p. 1044; Jiang, X., Schoenmakers, P.J., Van Dongen, J.L.J., Lou, X., Lima, V., Brokken-Zijp, J., (2003) Anal. Chem., 75, p. 5517; Murgasova, R., Hercules, D.M., (2002) Anal. Bioanal. Chem., 373, p. 481; Gruendling, T., Guilhaus, M., Barner-Kowollik, C., (2008) Anal. Chem., 80, p. 6915; Aaserud, D.J., Prokai, L., Simonsick, W.J.J., (1999) Anal. Chem., 71, p. 4793; Naidong, W., Chen, Y.-L., Shou, W., Jiang, X., (2001) J. Pharm. Biomed. Anal., 26, p. 753; (2006), Practical Guide to Chemometrics", 2nd edition, P. Gemperline, Ed., CRC Press, Boca RatonAsperger, A., Efer, J., Koal, T., Engewald, W., (2001) J. Chromatogr. A, 937, p. 65; Sautour, M., Rouget, A., Dentigny, P., Divies, C., Bensoussan, M., (2001) J. Appl. Microbiol., 91, p. 900; Tak, V., Kanaujia, P.K., Pardasani, D., Kumar, R., Srivastava, R.K., Gupta, A.K., Dubey, D.K., (2007) J. Chromatogr. A, 1161, p. 198; Rudaz, S., Cherkaoui, S., Gauvrit, J.-Y., Lantéri, P., Veuthey, J.-L., (2001) Electrophoresis, 22, p. 3316; Bateman, K., Seto, C., Gunter, B., (2002) J. Am. Soc. Mass Spectrom., 13, p. 2; Riter, L.S., Vitek, O., Gooding, K.M., Hodge, B.D., Julian, R.K.J., (2005) J. Mass Spectrom., 40, p. 565; Meier, M.A.R., Adams, N., Schubert, U.S., (2007) Anal. Chem., 79, p. 863; Hunt, S.M., Sheil, M.M., Belov, M., Derrick, P.J., (1998) Anal. Chem., 70, p. 1812; Cole, R.B., (2000) J. Mass Spectrom., 35, p. 763; Borman, C.D., Jackson, A.T., Bunn, A., Cutter, A.L., Irvine, D.J., (2000) Polymer, 41, p. 6015; Iavarone, A.T., Williams, E.R., (2002) Int. J. Mass Spectrom., 219, p. 63; Bednarek, M., Biedron, T., Kubisa, P., (2000) Macromol. Chem. Phys., 201, p. 58
Keywords: Design of experiment (DoE), ESI source optimization, Ionization efficiency, Poly(methyl methacrylate), Radical polymerization, Response surface design, Reversible addition fragmentation chain transfer (RAFT), Size exclusion chromatography electrospray ionization mass spectrometry (SEC-ESI-MS), Acrylic monomers, Atom transfer radical polymerization, Chromatographic analysis, Design of experiments, Esters, Free radical polymerization, Functional polymers, Gel permeation chromatography, Ion sources, Ionization, Mass spectrometers, Mass spectrometry, Optimization, Polymers, Size exclusion chromatography, Spectrum analysis, Statistics, Surface properties, Electrospray ionization
DOI: 10.1002/marc.200800738
ISSN: 10221336
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > Institutes > Institute for Future Environments
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Deposited On: 22 Sep 2016 04:50
Last Modified: 09 Oct 2016 23:54

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