NMR relaxation in semiflexible Vicsek fractals

Markelov, Denis A.; Fürstenberg, Florian; Dolgushev, Maxim

doi:10.1016/j.polymer.2018.04.022

Cited by 10 publications

(5 citation statements)

References 79 publications

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“…We see that with distance from the end of the side segment, the mobility decreases. This behavior is related to the NMR semiflexibility effect of hyperbranched macromolecules [ 100 , 101 , 102 ] and is discussed in some detail for lysine dendrimers [ 43 ].…”

Section: Resultsmentioning

confidence: 99%

Why the Orientational Mobility in Arginine and Lysine Spacers of Peptide Dendrimers Designed for Gene Delivery Is Different?

Bezrodnyi

Shavykin

Mikhtaniuk

et al. 2020

IJMS

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New peptide dendrimer with Lys-2Arg repeating units was recently studied experimentally by NMR (RSC Advances, 2019, 9, 18018) and tested as gene carrier successfully (Int. J. Mol. Sci., 2020, 21, 3138). The unusual slowing down of the orientational mobility of 2Arg spacers in this dendrimer was revealed. It has been suggested that this unexpected behavior is caused by the Arg-Arg pairing effect in water, which leads to entanglements between dendrimer branches. In this paper, we determine the reason for this slowing down using atomistic molecular dynamics simulation of this dendrimer. We present that the structural properties of Lys-2Arg dendrimer are close to those of the Lys-2Lys dendrimer at all temperatures (Polymers, 2020, 12, 1657). However, the orientational mobility of the H-H vector in CH2-N groups of 2Arg spacers in Lys-2Arg dendrimer is significantly slower than the mobility of the same vector in the Lys-2Lys dendrimer. This result is in agreement with the recent NMR experiments for the same systems. We revealed that this difference is not due to the arginine-arginine pairing, but is due to the semiflexibility effect associated with the different contour length from CH2-N group to the end of the side arginine or lysine segment in spacers.

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Section: Resultsmentioning

confidence: 99%

Why the Orientational Mobility in Arginine and Lysine Spacers of Peptide Dendrimers Designed for Gene Delivery Is Different?

Bezrodnyi

Shavykin

Mikhtaniuk

et al. 2020

IJMS

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“…It is important to note that spectral density for different groups of a dendrimer macromolecule cannot be described in the framework of usual simplications that take into account one or two correlation times. The developed theory of orientational mobility in dendrimers and hyperbranched macromolecules 25,[31][32][33][34][35][36][37][38][39][40][41][42] shows that local reorientation of a group in the dendrimer is determined by three main processes:…”

Section: H Nmr Relaxationmentioning

confidence: 99%

Lysine-based dendrimer with double arginine residues

et al. 2019

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“…One of the main incentives for the synthesis of deterministic structures is to create and investigate materials with unique physical properties. To this end, various physical properties of deterministic fractals, such as propagation of electromagnetic waves [32], radii of gyration [33], radiative heat transfer [34], and NMR relaxation [35], are studied.…”

Section: Introductionmentioning

confidence: 99%

The structure of deterministic mass and surface fractals: theory and methods of analyzing small-angle scattering data

Cherny

Anitas

Osipov

et al. 2019

Phys. Chem. Chem. Phys.

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Small-angle scattering (SAS) of X-rays, neutrons or light from ensembles of randomly oriented and placed deterministic fractal structures are studied theoretically. In the standard analysis, a very few parameters can be determined from SAS data: the fractal dimension, and the lower and upper limits of the fractal range. The self-similarity of deterministic structures allows one to obtain additional characteristics of their spatial structures. The paper considers models which can describe accurately SAS from such structures. The developed models of deterministic fractals offer many advantages in describing fractal systems, including the possibility to extract additional structural information, an analytic description of SAS intensity, and effective computational algorithms. Generalized Cantor fractals and few of its variants are used as basic examples to illustrate the above concepts and to model physical samples with mass, surface, and multi-fractal structures. The differences between the deterministic and random fractal structures in analyzing SAS data are emphasized. Several limitations are identified in order to motivate future investigations of deterministic fractal structures.

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NMR relaxation in semiflexible Vicsek fractals

Cited by 10 publications

References 79 publications

Why the Orientational Mobility in Arginine and Lysine Spacers of Peptide Dendrimers Designed for Gene Delivery Is Different?

Why the Orientational Mobility in Arginine and Lysine Spacers of Peptide Dendrimers Designed for Gene Delivery Is Different?

Lysine-based dendrimer with double arginine residues

The structure of deterministic mass and surface fractals: theory and methods of analyzing small-angle scattering data

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