2262 XXXI International Mineral Processing Congress 2024 Proceedings/Washington, DC/Sep 29–Oct 3
showed that alkyl esteramines and alkyl etheramines form
similar aggregates in water.
ACKNOWLEDGMENTS
Authors would like to thank Kees v. Ginkel, Marc Geurts
and Mark Kean for the valuable scientific discussion and
the experimental work about biodegradability and toxicity.
REFERENCES
Berendsen, H.J.C., Hess, B., Lindahl, E., Van Der
Spoel, D., Mark, A.E. and Groenhof, G., 2005.
GROMACS: fast, flexible, and free. J. Comput. Chem.
26(16), 1701–1718.
Gorochovceva, N., Klingberg, A., &Lannefors, J., 2014.
Development of anionic collectors for direct flotation
of apatite from complex siliceous ores with a focus on
sustainability. In: Proceedings of XXVII International
Mineral Processing Congress, Chile, pp.
Gorochovceva, N., Klingberg, K. A., 2013. Polyester
polyquaternary ammonium compound collectors for
reverse froth flotation of silicates from nonsulfidic ores.
WO2015091308A1.
Habralek, A., et al., 2005. Esters of 6-aminohexanoic acid
as skin permeation enhancers: The effect of branch-
ing in the alkanol moiety, Journal of Pharmaceutical
Sciences, 94, p.1494–1499.
Horn, H.W., Swope, W.C., Pitera, J.W., Madura, J.D.,
Dick, T.J., Hura, G.L. and Head-Gordon, T., 2004.
Development of an improved four-site water model for
biomolecular simulations: TIP4P-Ew. J. Chem. Phys.
120(20), 9665–9678.
Kronberg, B., Holmberg, K., Lindman, B., 2014. Surface
Chemistry of Surfactants and Polymers. John Wiley &
Sons, Ltd, United Kingdom.
Lundborg, M. and Lindahl, E., 2015. Automatic
GROMACS topology generation and comparisons
of force fields for solvation free energy calculations. J.
Phys. Chem. B. 119(3), 810–823.
Stjerndahl, M. &Holmberg, K. (2003) Synthesis and
chemical hydrolysis of surface active esters, Journal of
Surfactants and Detergents, vol 6, no.4 p.311–318.
Smolko-Schwarzmayr, N., Gustafsson, C. E. K.,
Gustafsson, J. O., 2018. Collector composition con-
taining biodegradable compound and process for treat-
ing siliceous ores. WO 2020/00773 A1.
Swisher, R. D., 1987. Surfactant Biodegradation, V18.
Marcel Dekker. Inc, New York.
Venderbosch, R. A. M., Wetzel, A. M., Schwarzmayr, L.,
Jacobson Ingemyr, H. I. B., Smolko-Schwarzmayr, N.,
2018. Esters of amino carboxylic acids and a process to
prepare them. WO2020/007774 A1.
Wang, J., Wolf, R.M., Caldwell, J.W., Kollman, P.A. and
Case, D.A., 2004. Development and testing of a
general amber force field. J. Comput. Chem. 25(9),
1157–1174.
Figure 4. Snapshots from 100 ns molecular dynamics simulations of a) isodecyloxypropylamine and b) isodecyl-6-
aminohexanoate (water and chloride ions are omitted). The left pictures (a and b) show micelles, while the right pictures (a
and b) show the conformation of molecules within the micelle. White beads =hydrogen atoms cyan beads =carbon atoms red
beads =oxygen atoms blue beads =nitrogen atoms
showed that alkyl esteramines and alkyl etheramines form
similar aggregates in water.
ACKNOWLEDGMENTS
Authors would like to thank Kees v. Ginkel, Marc Geurts
and Mark Kean for the valuable scientific discussion and
the experimental work about biodegradability and toxicity.
REFERENCES
Berendsen, H.J.C., Hess, B., Lindahl, E., Van Der
Spoel, D., Mark, A.E. and Groenhof, G., 2005.
GROMACS: fast, flexible, and free. J. Comput. Chem.
26(16), 1701–1718.
Gorochovceva, N., Klingberg, A., &Lannefors, J., 2014.
Development of anionic collectors for direct flotation
of apatite from complex siliceous ores with a focus on
sustainability. In: Proceedings of XXVII International
Mineral Processing Congress, Chile, pp.
Gorochovceva, N., Klingberg, K. A., 2013. Polyester
polyquaternary ammonium compound collectors for
reverse froth flotation of silicates from nonsulfidic ores.
WO2015091308A1.
Habralek, A., et al., 2005. Esters of 6-aminohexanoic acid
as skin permeation enhancers: The effect of branch-
ing in the alkanol moiety, Journal of Pharmaceutical
Sciences, 94, p.1494–1499.
Horn, H.W., Swope, W.C., Pitera, J.W., Madura, J.D.,
Dick, T.J., Hura, G.L. and Head-Gordon, T., 2004.
Development of an improved four-site water model for
biomolecular simulations: TIP4P-Ew. J. Chem. Phys.
120(20), 9665–9678.
Kronberg, B., Holmberg, K., Lindman, B., 2014. Surface
Chemistry of Surfactants and Polymers. John Wiley &
Sons, Ltd, United Kingdom.
Lundborg, M. and Lindahl, E., 2015. Automatic
GROMACS topology generation and comparisons
of force fields for solvation free energy calculations. J.
Phys. Chem. B. 119(3), 810–823.
Stjerndahl, M. &Holmberg, K. (2003) Synthesis and
chemical hydrolysis of surface active esters, Journal of
Surfactants and Detergents, vol 6, no.4 p.311–318.
Smolko-Schwarzmayr, N., Gustafsson, C. E. K.,
Gustafsson, J. O., 2018. Collector composition con-
taining biodegradable compound and process for treat-
ing siliceous ores. WO 2020/00773 A1.
Swisher, R. D., 1987. Surfactant Biodegradation, V18.
Marcel Dekker. Inc, New York.
Venderbosch, R. A. M., Wetzel, A. M., Schwarzmayr, L.,
Jacobson Ingemyr, H. I. B., Smolko-Schwarzmayr, N.,
2018. Esters of amino carboxylic acids and a process to
prepare them. WO2020/007774 A1.
Wang, J., Wolf, R.M., Caldwell, J.W., Kollman, P.A. and
Case, D.A., 2004. Development and testing of a
general amber force field. J. Comput. Chem. 25(9),
1157–1174.
Figure 4. Snapshots from 100 ns molecular dynamics simulations of a) isodecyloxypropylamine and b) isodecyl-6-
aminohexanoate (water and chloride ions are omitted). The left pictures (a and b) show micelles, while the right pictures (a
and b) show the conformation of molecules within the micelle. White beads =hydrogen atoms cyan beads =carbon atoms red
beads =oxygen atoms blue beads =nitrogen atoms