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Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers. / Falkovich, S.; Markelov, D.; Neelov, I.; Darinskii, A.

In: Journal of Chemical Physics, Vol. 139, No. 6, 2013, p. 064903_1-8.

Research output: Contribution to journal › Article

Harvard

Falkovich, S, Markelov, D, Neelov, I & Darinskii, A 2013, 'Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers', Journal of Chemical Physics, vol. 139, no. 6, pp. 064903_1-8. https://doi.org/10.1063/1.4817337

APA

Falkovich, S., Markelov, D., Neelov, I., & Darinskii, A. (2013). Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers. Journal of Chemical Physics, 139(6), 064903_1-8. https://doi.org/10.1063/1.4817337

Vancouver

Falkovich S, Markelov D, Neelov I, Darinskii A. Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers. Journal of Chemical Physics. 2013;139(6):064903_1-8. https://doi.org/10.1063/1.4817337

Author

Falkovich, S. ; Markelov, D. ; Neelov, I. ; Darinskii, A. / Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers. In: Journal of Chemical Physics. 2013 ; Vol. 139, No. 6. pp. 064903_1-8.

BibTeX

@article{f3b75b5ba1c34966be4e66068a28a825,
title = "Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers",
abstract = "Poly-L-lysine (PLL) dendrimers are promising systems for biomedical applications due to their biocompatibility. These dendrimers have a specific topology: two spacers of different lengths come out of each branching point and thus the branching is asymmetric. Because of this asymmetry terminal groups are located at branches of different lengths, unlike dendrimers with a symmetric branching. This paper presents the results of the first systematic molecular dynamics simulation of such asymmetric PLL dendrimers. It is shown that PLL dendrimers are porous molecules with all terminal groups equally accessible to water. We have found that in spite of an asymmetry of branching the general structural characteristics of PLL dendrimers are rather similar to those of dendrimers with symmetric branching. We have also found that the structural characteristics of PLL dendrimers obey the general laws for dendrimers and that their electrostatic properties agree with the predictions of a general analytic theory.",
author = "S. Falkovich and D. Markelov and I. Neelov and A. Darinskii",
year = "2013",
doi = "10.1063/1.4817337",
language = "English",
volume = "139",
pages = "064903_1--8",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics",
number = "6",

}

RIS

TY - JOUR

T1 - Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers

AU - Falkovich, S.

AU - Markelov, D.

AU - Neelov, I.

AU - Darinskii, A.

PY - 2013

Y1 - 2013

N2 - Poly-L-lysine (PLL) dendrimers are promising systems for biomedical applications due to their biocompatibility. These dendrimers have a specific topology: two spacers of different lengths come out of each branching point and thus the branching is asymmetric. Because of this asymmetry terminal groups are located at branches of different lengths, unlike dendrimers with a symmetric branching. This paper presents the results of the first systematic molecular dynamics simulation of such asymmetric PLL dendrimers. It is shown that PLL dendrimers are porous molecules with all terminal groups equally accessible to water. We have found that in spite of an asymmetry of branching the general structural characteristics of PLL dendrimers are rather similar to those of dendrimers with symmetric branching. We have also found that the structural characteristics of PLL dendrimers obey the general laws for dendrimers and that their electrostatic properties agree with the predictions of a general analytic theory.

AB - Poly-L-lysine (PLL) dendrimers are promising systems for biomedical applications due to their biocompatibility. These dendrimers have a specific topology: two spacers of different lengths come out of each branching point and thus the branching is asymmetric. Because of this asymmetry terminal groups are located at branches of different lengths, unlike dendrimers with a symmetric branching. This paper presents the results of the first systematic molecular dynamics simulation of such asymmetric PLL dendrimers. It is shown that PLL dendrimers are porous molecules with all terminal groups equally accessible to water. We have found that in spite of an asymmetry of branching the general structural characteristics of PLL dendrimers are rather similar to those of dendrimers with symmetric branching. We have also found that the structural characteristics of PLL dendrimers obey the general laws for dendrimers and that their electrostatic properties agree with the predictions of a general analytic theory.

U2 - 10.1063/1.4817337

DO - 10.1063/1.4817337

M3 - Article

VL - 139

SP - 064903_1-8

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 6

ER -

ID: 7401130