Overview of mechanism and consequences of endothelial leakiness caused by metal and polymeric nanoparticles

• Magdalena Lasak and
• Karol Ciepluch

Beilstein J. Nanotechnol. 2023, 14, 329–338, doi:10.3762/bjnano.14.28

• NPs with VE-cad was the phosphorylation of its tyrosine residues stimulated by NPs and actin remodeling, which is crucial for leakiness. It is noteworthy that the computer simulation methods used by Lee et al. showed that Au NPs interact with the extracellular EC1 domain of cadherin [21]. Similarly

The role of gold atom concentration in the formation of Cu–Au nanoparticles from the gas phase

• Yuri Ya. Gafner,
• Svetlana L. Gafner,
• Darya A. Ryzkova and
• Andrey V. Nomoev

Beilstein J. Nanotechnol. 2021, 12, 72–81, doi:10.3762/bjnano.12.6

• initial vapor phase, basically corresponded to a given target composition. Keywords: binary nanoparticles; computer simulation; copper; gold; molecular dynamics; Introduction The nanometer-sized Cu–Au compounds are being studied quite actively [1][2][3][4][5][6][7][8] because of their potential

• using computer simulation methods of only one of the physical methods used for the production of binary Cu–Au nanoparticles (i.e, the synthesis from a high-temperature gas phase). For the first time, a detailed study of the dependence of the atomic ordering of Cu–Au particles on the concentration of

• formed under clear nonequilibrium conditions with a dependence on the physicochemical properties of the nanoparticle determined by its size. In this paper, we present the results of a computer simulation study of the condensation process of gold and copper atoms. For the modeling, we used the molecular

Molecular dynamics modeling of the influence forming process parameters on the structure and morphology of a superconducting spin valve

• Alexander Vakhrushev,
• Aleksey Fedotov,
• Vladimir Boian,
• Roman Morari and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2020, 11, 1776–1788, doi:10.3762/bjnano.11.160

• properties of S/F nanosystem formation, it would be very useful to develop new integrated methods that combine theoretical modeling and experimental methods for analyzing the formation processes and properties of this class of functional nanomaterials and nanostructures. Here, computer simulation can

Site-controlled formation of single Si nanocrystals in a buried SiO₂ matrix using ion beam mixing

• Xiaomo Xu,
• Thomas Prüfer,
• Daniel Wolf,
• Hans-Jürgen Engelmann,
• Lothar Bischoff,
• René Hübner,
• Karl-Heinz Heinig,
• Wolfhard Möller,
• Stefan Facsko,
• Johannes von Borany and
• Gregor Hlawacek

Beilstein J. Nanotechnol. 2018, 9, 2883–2892, doi:10.3762/bjnano.9.267

• recoil atom generated at x, and dσ/dl the differential cross section for the generation of such a recoil. To calculate the 1D mixing efficiency by means of static BCA computer simulation, the number of displacements Nd in a depth interval Δx at x with a displacement between l and l + Δl is counted for a

• from the Si/SiO2 interfaces indicates that the so obtained single silicon NC has great potential for the CMOS-compatible integration into future SET applications. Experimental Computer simulation Simulation of ion beam mixing was performed using TRIDYN [26] and TRI3DYN [33]. Both programs allow dynamic

• layers of NCs form in the case of the 14 nm thick SiO2 layer only one layer forms when the SiO2 thickness is 7 nm. Computer simulation of broad-beam ion mixing and nanocluster formation by thermal decomposition in Si/SiO2/Si layer stacks: binary collision approximation (BCA) method calculated O/Si atomic

Atomistic modeling of tribological properties of Pd and Al nanoparticles on a graphene surface

• Alexei Khomenko,
• Miroslav Zakharov,
• Denis Boyko and
• Bo N. J. Persson

Beilstein J. Nanotechnol. 2018, 9, 1239–1246, doi:10.3762/bjnano.9.115

• of interfacial processes, they are limited to much shorter spatial and temporal length scales than in most experiments. Recent experimental and computer simulation studies of static and sliding friction of metallic nanoparticles have focused on the dependence of friction on the particle size

A nanocomplex of C₆₀ fullerene with cisplatin: design, characterization and toxicity

• Svitlana Prylutska,
• Svitlana Politenkova,
• Kateryna Afanasieva,
• Volodymyr Korolovych,
• Kateryna Bogutska,
• Andriy Sivolob,
• Larysa Skivka,
• Maxim Evstigneev,
• Viktor Kostjukov,
• Yuriy Prylutskyy and
• Uwe Ritter

Beilstein J. Nanotechnol. 2017, 8, 1494–1501, doi:10.3762/bjnano.8.149

• ., 25, 98693 Ilmenau, Germany 10.3762/bjnano.8.149 Abstract The self-organization of C60 fullerene and cisplatin in aqueous solution was investigated using the computer simulation, dynamic light scattering and atomic force microscopy techniques. The results evidence the complexation between the two

• lymphocytes and reduces the fraction of necrotic cells. Keywords: atomic force microscopy; C60 fullerene; cisplatin; comet assay; computer simulation; dynamic light scattering; flow cytometry; human lymphocytes; toxicity in vitro; Introduction The water-soluble inorganic bi-valent platinum derivative

• ultrasonic treatment in dispersant for 20 min, followed by magnetic stirring over 12 h at room temperature. Computer simulation The spatial structure of the C60 fullerene was built according to [http://www-jmg.ch.cam.ac.uk/data/molecules/misc/c60.html]. The spatial structure of Cis was built with the aid of

A new approach to grain boundary engineering for nanocrystalline materials

• Shigeaki Kobayashi,
• Sadahiro Tsurekawa and
• Tadao Watanabe

Beilstein J. Nanotechnol. 2016, 7, 1829–1849, doi:10.3762/bjnano.7.176

• of characteristic features from the combined analysis based on OIM and fractal analysis. This is yet to be achieved by computer simulation for understanding of grain boundary microstructure and bulk properties of polycrystalline and nanocrystalline materials. Lastly, in order to give the reader a

Synthesis and applications of carbon nanomaterials for energy generation and storage

• Marco Notarianni,
• Jinzhang Liu,
• Kristy Vernon and
• Nunzio Motta

Beilstein J. Nanotechnol. 2016, 7, 149–196, doi:10.3762/bjnano.7.17

Influence of grain size and composition, topology and excess free volume on the deformation behavior of Cu–Zr nanoglasses

• Daniel Şopu and
• Karsten Albe

Beilstein J. Nanotechnol. 2015, 6, 537–545, doi:10.3762/bjnano.6.56

• deformation behavior of nanoglasses has been shown both in computer simulation [11][13][14] and experiment [9][15], where also an enhanced plasticity under compression was observed indicating that not critical shear bands occur. Recent experiments on sputtered nanograined Au-based glasses also showed high

Size-dependent density of zirconia nanoparticles

• Agnieszka Opalinska,
• Iwona Malka,
• Wojciech Dzwolak,
• Tadeusz Chudoba,
• Adam Presz and
• Witold Lojkowski

Beilstein J. Nanotechnol. 2015, 6, 27–35, doi:10.3762/bjnano.6.4

• in an exact match of the theoretically calculated and the measured shell thickness. The density of the hydroxide shell layer could possibly be calculated using computer simulation methods. This work presents a simple model to explain the correlation between the annealing temperature of nano-ZrO2 and

The impact of the confinement of reactants on the metal distribution in bimetallic nanoparticles synthesized in reverse micelles

• Concha Tojo,
• Elena González and
• Nuria Vila-Romeu

Beilstein J. Nanotechnol. 2014, 5, 1966–1979, doi:10.3762/bjnano.5.206

• bimetallic nanoparticles in microemulsions was carried out by computer simulation. A comprehensive analysis of the resulting nanostructures was performed regarding the influence of intermicellar exchange on reactivity. The objects of this study were metals having a difference in standard reduction potential

Silica nanoparticles are less toxic to human lung cells when deposited at the air–liquid interface compared to conventional submerged exposure

• Alicja Panas,
• Andreas Comouth,
• Harald Saathoff,
• Thomas Leisner,
• Marco Al-Rawi,
• Michael Simon,
• Gunnar Seemann,
• Olaf Dössel,
• Sonja Mülhopt,
• Hanns-Rudolf Paur,
• Susanne Fritsch-Decker,
• Carsten Weiss and
• Silvia Diabaté

Beilstein J. Nanotechnol. 2014, 5, 1590–1602, doi:10.3762/bjnano.5.171

• surface at the end of the aerosol inlet. The electrical field was almost homogeneous with an axial strength of 500 V·mm−1. A computer simulation revealed that only at the outer border of the Transwell membranes (more than 10 mm distance from the center of the membrane) a significant inhomogeneity of the

Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport

• Pavel V. Komarov,
• Pavel G. Khalatur and
• Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2013, 4, 567–587, doi:10.3762/bjnano.4.65

• electrolytes, in which both cations and anions are mobile. A particularly interesting feature of this phenomenon in the case of electrolyte solutions is evidence that pairing increases with increasing temperature [78][79]. It has been suggested (e.g., [80][81]) and shown by computer simulation [82][83] that

Current-induced dynamics in carbon atomic contacts

• Jing-Tao Lü,
• Tue Gunst,
• Per Hedegård and
• Mads Brandbyge

Beilstein J. Nanotechnol. 2011, 2, 814–823, doi:10.3762/bjnano.2.90

• computer simulation techniques, such as molecular dynamics (MD), preferably without adjustable parameters, to study in detail the complex current-driven atomic processes. To this end, we recently developed an approach based on the semiclassical Langevin equation, which may form the basis of MD. In this

Surface induced self-organization of comb-like macromolecules

• Konstantin I. Popov,
• Vladimir V. Palyulin,
• Martin Möller,
• Alexei R. Khokhlov and
• Igor I. Potemkin

Beilstein J. Nanotechnol. 2011, 2, 569–584, doi:10.3762/bjnano.2.61

• persistence length for convenience. Starting with the computer simulation work in the mid 1960s [26], a few experimental and simulation papers, demonstrating the effect of stiffening of the comblike macromolecules with the increase of the side chain length and grafting density, appeared in the 1980s [27][28

• the number of side chains. Further computer simulation [110] and theoretical [111] studies confirmed the existence of the spontaneous curvature of adsorbed comb macromolecules. Similar results were obtained for brush membranes within the self-consistent field approximation [112]. In addition, all

Kinetic lattice Monte-Carlo simulations on the ordering kinetics of free and supported FePt L1₀-nanoparticles

• Michael Müller and
• Karsten Albe

Beilstein J. Nanotechnol. 2011, 2, 40–46, doi:10.3762/bjnano.2.5

• configuration represented the thermodynamic equilibrium. At this point, computer simulation studies revealed that nanoparticles larger than 5–6 nm in diameter are single-crystalline and ordered at ambient conditions [5][6][7][8][9], while partially ordered or twinned configurations can be considered as