Abstract

This paper reveals the mechanism of nanowelding a branched network of single-walled carbon nanotubes (SWCNTs) used as a framework for the formation of protein–polymer matrices with albumin, collagen, and chitosan. It is shown that the introduction of certain point defects into the structure of SWCNTs (single vacancy, double vacancy, Stone–Wales defect, and a mixed defect) allows us to obtain strong heating in defective regions as compared to ideal SWCNTs. The wavelengths at which absorption reaches 50% are determined. Non-uniform absorption of laser radiation along with inefficient heat removal in defective regions determines the formation of hot spots, in which nanowelding of SWCNTs is observed even at 0.36 nm between contacting surfaces. The regularities of formation of layered protein–polymer matrices and the features of their interaction with cell membrane are revealed. All studies are carried out in silico using high-precision quantum approaches.

Highlights

  • At present, a 3D wireframe nanomaterial in the form of a branched network of multi-walled carbon nanotubes (MWCNTs) and SWCNTs is extremely popular in various fields, including biomedicine [1,2,3,4,5,6].In recent years, 3D carbon nanotube (CNT) scaffolds have been especially demanded in the field of tissue engineering as a material for creating conductive scaffolds used for bone tissue regeneration [7].The ability of 3D CNT scaffolds to stimulate the proliferation, maturation, and long-term survival of cardiomyocytes has already been proven [8]

  • It was found that the key factors in nanowelding of MWCNTs are the degree of graphitization of MWCNTs, the irradiation time, the type of substrate, and others [21,22,23,24]

  • To understand the nature of CNT nanowelding, we considered the features of the interaction of the defective regions of SWCNTs and the open ends of SWCNTs with laser radiation in the ultraviolet (UV)–visible–infrared (IR) range

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Summary

Introduction

A 3D wireframe nanomaterial in the form of a branched network of multi-walled carbon nanotubes (MWCNTs) and SWCNTs is extremely popular in various fields, including biomedicine [1,2,3,4,5,6]. To date, there is no information about the dependence of the degree of absorption of electromagnetic waves by nanotubes on their chirality and the presence of defects, and about the influence of these factors on the nanowelding process Another relevant direction of a study of the properties and applications of 3D nanomaterial in the form of a branched network of MWCNTs and SWCNTs is the use of these materials for the subsequent creation of protein and polymer matrices on their basis. Such matrices are already actively synthesized and in demand in various fields of biomedicine [33,34], including in the field of tissue engineering [34]. Some regularities of interaction of polymer–protein matrices with the cell membrane are studied

Computational Details
Results and Discussion
Absorption of Electromagnetic Wave Energy by Defect-Free and Defective SWCNTs
A Network
The Formation of Layered Protein–Polymer Matrices
Coarse-grained models of individual layers of protein–polymer matrices:
Layered 2D protein-polymer matrices
The Interaction of Layered Protein–Polymer Structures with the Cell Membrane
The interaction of the membrane protein matrix:
Conclusions
Full Text
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