Nanoparticles based on the zwitterionic pillar[5]arene and Ag⁺: synthesis, self-assembly and cytotoxicity in the human lung cancer cell line A549

• Dmitriy N. Shurpik,
• Denis A. Sevastyanov,
• Pavel V. Zelenikhin,
• Pavel L. Padnya,
• Vladimir G. Evtugyn,
• Yuriy N. Osin and
• Ivan I. Stoikov

Beilstein J. Nanotechnol. 2020, 11, 421–431, doi:10.3762/bjnano.11.33

• nuclear Overhauser effects (NOE) between spatially close protons gives useful information about the dynamics and averaged relative inter/intramolecular proton distances of these particles within 0.4 nm in solution [37][38][39]. Н8/Н1, Н8/Н2, Н6/Н2, Н8/Н3 cross peaks are observed in the 2D 1H,1H-ROESY NMR

High dynamic resistance elements based on a Josephson junction array

• Konstantin Yu. Arutyunov and
• Janne S. Lehtinen

Beilstein J. Nanotechnol. 2020, 11, 417–420, doi:10.3762/bjnano.11.32

• ), including superconducting systems based on the Josephson effect. It has been shown that physics behind a Josephson junction (JJ) is dual to a quantum phase-slip junction (QPSJ) [3], whereby the corresponding QPSJ-based qbit operation has also been demonstrated [4]. At the same time, the quantum dynamics of

• necessary, a small magnetic field, up to 0.05 T, was applied using small superconducting coils wound directly on the sample holder cap. Results and Discussion The ultimate goal of this work is to study the quantum dynamics of the QPSJ, a system dual to JJ [3], including the observation of Coulomb blockade

Interactions at the cell membrane and pathways of internalization of nano-sized materials for nanomedicine

• Valentina Francia,
• Daphne Montizaan and
• Anna Salvati

Beilstein J. Nanotechnol. 2020, 11, 338–353, doi:10.3762/bjnano.11.25

• [160][161], or by inducing bending of the plasma membrane [162][163], as already observed with certain viruses [164]. These changes in membrane dynamics might as well be a trigger for the endocytosis of nanoparticles via alternative mechanisms, which are not yet fully characterized. Extracting

Implementation of data-cube pump–probe KPFM on organic solar cells

• Benjamin Grévin,
• Olivier Bardagot and
• Renaud Demadrille

Beilstein J. Nanotechnol. 2020, 11, 323–337, doi:10.3762/bjnano.11.24

• ); organic photovoltaics; photocarrier dynamics; pump–probe configuration; time-resolved measurements; Introduction Many emerging photovoltaic technologies rely on the use of thin film materials displaying structural and/or chemical heterogeneities at the μm or nm scale. This is the case for solution

• the photocharging time is not negligible compared to the light pulse duration. In this case, numerical simulations are necessary to properly analyze the spectroscopic SP(fmod) curves [18]. When investigating organic donor–acceptor (D–A) blends, both capacitive effects and photocharging dynamics shall

• global electrostatic landscape probed by KPFM in the dark state [20]. The photocharging dynamics can be understood as follows. After exciton splitting and dissociation of the charge transfer states at the D–A interfaces, the photogenerated carriers experience a drift-diffusion limited by the carrier

Understanding nanoparticle flow with a new in vitro experimental and computational approach using hydrogel channels

• Armel Boutchuen,
• Dell Zimmerman,
• Abdollah Arabshahi,
• John Melnyczuk and
• Soubantika Palchoudhury

Beilstein J. Nanotechnol. 2020, 11, 296–309, doi:10.3762/bjnano.11.22

• experimental tools for mimicking complex physiological environments at the preclinical stage. Here, we report a coupled experimental and computational fluid dynamics (CFD)-based novel in vitro approach to predict the flow velocity and binding of NP drug delivery systems during transport through vasculature

• . Poly(hydroxyethyl)methacrylate hydrogels were used to form soft cylindrical constructs mimicking vascular sections as flow channels for synthesized iron oxide NPs in these first-of-its-kind transport experiments. Brownian dynamics and material of the flow channels played key roles in NP flow, based on

• but a flow controlled by the surrounding fluid and Brownian dynamics at the lowest NP concentrations. The CFD model predicted a mass loss of 1.341% and 6.253% for the 4.12 g·mL−1 and 2.008 g·mL−1 inlet mass concentrations of the NPs, in close confirmation with the experimental results. This further

Using gold nanoparticles to detect single-nucleotide polymorphisms: toward liquid biopsy

• María Sanromán Iglesias and
• Marek Grzelczak

Beilstein J. Nanotechnol. 2020, 11, 263–284, doi:10.3762/bjnano.11.20

• sensitivity are currently implemented to obtain reliable information on tumor-associated genetic modifications and to follow tumor dynamics [4][16][46][56]. These techniques are mainly modifications of the well-known polymerase chain reaction (PCR), establishing thus the state-of-the-art in clinics in the

• cost (200 US dollars). However, the time required to complete such an analysis exceeds several weeks, making it unfeasible for the fast monitoring of tumor dynamics. Therefore, point-of-care diagnostic tools that offer rapid (hours) discrimination of an individual mutation remain an aim to be pursued

Rational design of block copolymer self-assemblies in photodynamic therapy

• Maxime Demazeau,
• Laure Gibot,
• Anne-Françoise Mingotaud,
• Patricia Vicendo,
• Clément Roux and
• Barbara Lonetti

Beilstein J. Nanotechnol. 2020, 11, 180–212, doi:10.3762/bjnano.11.15

Nonclassical dynamic modeling of nano/microparticles during nanomanipulation processes

• Moharam Habibnejad Korayem,
• Ali Asghar Farid and
• Rouzbeh Nouhi Hefzabad

Beilstein J. Nanotechnol. 2020, 11, 147–166, doi:10.3762/bjnano.11.13

• Moharam Habibnejad Korayem Ali Asghar Farid Rouzbeh Nouhi Hefzabad Robotic Research Laboratory, Center of Excellence in Experimental Solid Mechanics and Dynamics, School of Mechanical Engineering, Iran University of Science and Technology, Narmak, Tehran, Iran Department of Mechanical Engineering

• of nanoparticles. To model this process, previous studies employed classical continuum mechanics and molecular dynamics simulations which had certain limitations; the former does not consider size effects at the nanoscale while the latter is time consuming and faces computational restrictions. To

• the modified couple stress theory are used to model the dynamics of cylindrical gold nanoparticles while the finite element method is utilized to solve the governing equations of motion. The results show a difference of 90% between the classical and nonclassical models in predicting the maximum

Molecular architectonics of DNA for functional nanoarchitectures

• Debasis Ghosh,
• Lakshmi P. Datta and
• Thimmaiah Govindaraju

Beilstein J. Nanotechnol. 2020, 11, 124–140, doi:10.3762/bjnano.11.11

• designed a porphyrin-tethered single-DNA duplex as a transmembrane ion channel [94]. Their minimalistic design approach involved the attachment of six porphyrin units along the oligonucleotide sequence that facilitated the movement of ions through the channel. The schematic of molecular dynamics simulation

Internalization mechanisms of cell-penetrating peptides

• Ivana Ruseska and
• Andreas Zimmer

Beilstein J. Nanotechnol. 2020, 11, 101–123, doi:10.3762/bjnano.11.10

• peptides to directly cross the cellular membranes involves the formation of pores. A theoretical model using molecular dynamics simulations was proposed for the translocation of the TAT peptide, which explains the relevance of peptide–phosphate interaction during the pore formation [47]. This theoretical

Nanosecond resistive switching in Ag/AgI/PtIr nanojunctions

• Botond Sánta,
• Dániel Molnár,
• Patrick Haiber,
• Agnes Gubicza,
• Edit Szilágyi,
• Zsolt Zolnai,
• András Halbritter and
• Miklós Csontos

Beilstein J. Nanotechnol. 2020, 11, 92–100, doi:10.3762/bjnano.11.9

• purple line, allowed for real-time studies of the switching dynamics. The emergence of multiple timescales governing the resistive transition is clearly seen in Vbias. This is attributed to the interplay between the voltage-dividing effect of the series resistor and the exponential slow-down/speed-up of

• voltage was applied. The simultaneously recorded Vbias (purple) trace shows the dynamics of the resistive switchings. (b) ROFF (red) and RON (blue) as a function of the voltage pulse amplitude. The inset demonstrates the long-term stability of the OFF and ON states evaluated during 300 repetitive duty

A review of demodulation techniques for multifrequency atomic force microscopy

• David M. Harcombe,
• Michael G. Ruppert and
• Andrew J. Fleming

Beilstein J. Nanotechnol. 2020, 11, 76–91, doi:10.3762/bjnano.11.8

• [52]. Fundamental to its operating principle, the Kalman filter utilizes a linear model of system dynamics and feedback of the state variables to update the Kalman gains, which controls the tracking bandwidth. When the time-varying system is discretized for t = kTs, where Ts is the sampling period

The effect of heat treatment on the morphology and mobility of Au nanoparticles

• Sven Oras,
• Sergei Vlassov,
• Simon Vigonski,
• Boris Polyakov,
• Mikk Antsov,
• Vahur Zadin,
• Rünno Lõhmus and
• Karine Mougin

Beilstein J. Nanotechnol. 2020, 11, 61–67, doi:10.3762/bjnano.11.6

• . Nevertheless, the temperature used in the simulations is significantly below the melting temperature of Au. Furthermore, in the computational model, the dynamics of diffusion are unaffected by temperature, making comparisons to experimental results possible [21]. Visualizations of the results of the simulation

Recent progress in perovskite solar cells: the perovskite layer

• Xianfeng Dai,
• Ke Xu and
• Fanan Wei

Beilstein J. Nanotechnol. 2020, 11, 51–60, doi:10.3762/bjnano.11.5

• improves the adhesion of the perovskite ink to hydrophobic substrates, effectively inhibiting the solution flow dynamics in the drying perovskite ink layer leading to compact and uniform perovskite films. The very small amount of surfactant additive has no adverse effect on the optoelectronic properties of

Formation of metal/semiconductor Cu–Si composite nanostructures

• Natalya V. Yumozhapova,
• Andrey V. Nomoev,
• Vyacheslav V. Syzrantsev and
• Erzhena C. Khartaeva

Beilstein J. Nanotechnol. 2019, 10, 2497–2504, doi:10.3762/bjnano.10.240

• 10.3762/bjnano.10.240 Abstract Molecular dynamics modelling of the formation of copper and silicon composite nanostructures was carried out by using the many-particle potential method. The dependences of the internal structure on the cooling rate and the ratio of elements were investigated. The

• content of 50 atom %. Additionally, an estimation of the effective experimental cooling rate was made. Keywords: composite nanoparticle; gas-phase synthesis; molecular dynamics modelling; Introduction In recent years, due to the development of various methods of synthesis, it has become possible to

• approach to modelling the formation of metal/semiconductor core–shell nanoparticles was described in [18]. There, a core–shell particle was obtained by spraying the outer shell on an already formed core. The molecular dynamics calculation of such a procedure showed the possibility of the formation of Cu–Si

Abrupt elastic-to-plastic transition in pentagonal nanowires under bending

• Sergei Vlassov,
• Magnus Mets,
• Boris Polyakov,
• Jianjun Bian,
• Leonid Dorogin and
• Vahur Zadin

Beilstein J. Nanotechnol. 2019, 10, 2468–2476, doi:10.3762/bjnano.10.237

• flexible polymer composite materials. Keywords: finite element method; mechanical properties; molecular dynamics; nanowires; Introduction Nanostructures comprised of noble metals with face centered cubic (FCC) crystal structure (Au, Ag and Cu according to the most common physical definition) prepared via

• : Classical molecular dynamics (MD) simulations were conducted to investigate the atomic deformation behavior of the penta-twinned Ag NW under bending. The large-scale open-source molecular dynamics simulator, LAMMPS, developed by Sandia National Laboratories, was adopted [35]. The interatomic interactions

• the present work are comparable, but do not exceed the theoretical yield strength value of bulk Au, which is about 8 GPa in accordance with the empirical relation E/10 based on atomic bonding considerations [41]. Molecular dynamics results Figure 8 depicts the loading curve of the penta-twinned NW

Mobility of charge carriers in self-assembled monolayers

• Zhihua Fu,
• Tatjana Ladnorg,
• Hartmut Gliemann,
• Alexander Welle,
• Asif Bashir,
• Michael Rohwerder,
• Qiang Zhang,
• Björn Schüpbach,
• Andreas Terfort and
• Christof Wöll

Beilstein J. Nanotechnol. 2019, 10, 2449–2458, doi:10.3762/bjnano.10.235

• conductivity within self-assembled monolayers was further corroborated by Bashir et al. through the application of molecular dynamics simulation where the charge transport was taken explicitly into account [29]. The theoretical study on the optimized model of HBC by using the Ehrenfest (mean field) approach

Multiwalled carbon nanotube based aromatic volatile organic compound sensor: sensitivity enhancement through 1-hexadecanethiol functionalisation

• Nadra Bohli,
• Meryem Belkilani,
• Juan Casanova-Chafer,
• Eduard Llobet and
• Adnane Abdelghani

Beilstein J. Nanotechnol. 2019, 10, 2364–2373, doi:10.3762/bjnano.10.227

• sensitivity (up to 17 times), selectivity and improves the response dynamics of the sensors. Keywords: gold-decorated MWCNTs; multiwall carbon nanotubes (MWCNTs); self-assembled monolayers (SAMs); sensitivity; selectivity; vapour sensor; Introduction Aromatic volatile organic compounds (VOCs) such as

• selectivity. It was also shown to improve the sensor response dynamics. These results combined with previous results [22][32] could be interesting for the development of functionalised multisensor arrays combined with an artificial intelligence algorithm for selectivity enhancement. Synoptic structure of the

Design of a nanostructured mucoadhesive system containing curcumin for buccal application: from physicochemical to biological aspects

• Sabrina Barbosa de Souza Ferreira,
• Gustavo Braga,
• Évelin Lemos Oliveira,
• Jéssica Bassi da Silva,
• Hélen Cássia Rosseto,
• Lidiane Vizioli de Castro Hoshino,
• Mauro Luciano Baesso,
• Wilker Caetano,
• Craig Murdoch,
• Helen Elizabeth Colley and
• Marcos Luciano Bruschi

Beilstein J. Nanotechnol. 2019, 10, 2304–2328, doi:10.3762/bjnano.10.222

• spectral emission (Table 1). Anisotropy is considered a powerful technique to investigate the molecular dynamics of fluorescent solutes, such as CUR. During the fluorescence analysis, the molecules are excited by linearly polarized light, and they absorb and emit the fluorescence in a polarized way. If the

Dynamics of superparamagnetic nanoparticles in viscous liquids in rotating magnetic fields

• Nikolai A. Usov,
• Ruslan A. Rytov and
• Vasiliy A. Bautin

Beilstein J. Nanotechnol. 2019, 10, 2294–2303, doi:10.3762/bjnano.10.221

• .10.221 Abstract The dynamics of magnetic nanoparticles in a viscous liquid in a rotating magnetic field has been studied by means of numerical simulations and analytical calculations. In the magneto-dynamics approximation three different modes of motion of the unit magnetization vector and particle

• ]. Inside the cells magnetic nanoparticles usually form dense clusters tightly bound to the surrounding tissues [21][22][23][24], so that the rotation of a nanoparticle as a whole in AMF is difficult or completely absent. Thus, the AMF energy absorption is only associated with the dynamics of the magnetic

• assembly of superparamagnetic particles with uniaxial anisotropy distributed in a viscous liquid have been carried out. First, the behavior of a magnetic particle in a RMF is studied in the magneto-dynamics approximation [25][44][45] neglecting the thermal fluctuations of the particle magnetic moment and

Nitrogen-vacancy centers in diamond for nanoscale magnetic resonance imaging applications

• Alberto Boretti,
• Lorenzo Rosa,
• Jonathan Blackledge and
• Stefania Castelletto

Beilstein J. Nanotechnol. 2019, 10, 2128–2151, doi:10.3762/bjnano.10.207

• enhancement of the dynamic range by a factor of 4 × 103 is achieved for interrogation times exceeding 2 ms. Optical detection of weak magnetic fields in a spin bath is undertaken in [26] by sensing external magnetic dipoles with fluorescent ND due to the charge dynamics of coupled spins. This provides

• detect the spin status, which can be read optically by spin relaxation contrast. The sensitivity can thus be improved to less than a microtesla with a subwavelength spatial resolution and sub-millisecond time resolution. This enables the wide-field microscopy of a domain wall with skyrmion dynamics and

• to individually resolve each NV center. Using NV spin properties creating three-level blinking dynamics, two NV centers in the same ND were localized at 23 nm. NDs can host several paramagnetic point defects and impurities along the diamond surface, which are dark and can broaden the NV spin spectra

Gold-coated plant virus as computed tomography imaging contrast agent

• Alaa A. A. Aljabali,
• Mazhar S. Al Zoubi,
• Khalid M. Al-Batanyeh,
• Ali Al-Radaideh,
• Mohammad A. Obeid,
• Abeer Al Sharabi,
• Walhan Alshaer,
• Bayan AbuFares,
• Tasnim Al-Zanati,
• Murtaza M. Tambuwala,
• Naveed Akbar and
• David J. Evans

Beilstein J. Nanotechnol. 2019, 10, 1983–1993, doi:10.3762/bjnano.10.195

• . 100 nm [36]. Spectroscopic analyses were recorded at ambient temperature (21–28 °C) using quartz cuvettes with an optical path length of 1 cm. Dynamic light scattering DLS measurements were carried out on a Wyatt DynaProTM DP-801 system coupled with Dynamics V7.0.0.95 software. Measurements were

Growth dynamics and light scattering of gold nanoparticles in situ synthesized at high concentration in thin polymer films

• Corentin Guyot,
• Philippe Vandestrick,
• Ingrid Marenne,
• Olivier Deparis and
• Michel Voué

Beilstein J. Nanotechnol. 2019, 10, 1768–1777, doi:10.3762/bjnano.10.172

• inorganic film by, e.g., thermal annealing. Results: Simple laser reflection experiments showed that this growth process induced light scattering at the film/air interface. We report on this phenomenon, considering the growth dynamics of gold nanoparticles in a polymer film. The scattering of light was

• studied by measuring the bi-directional reflection distribution function. In parallel with the observation of enhanced scattering, imaging ellipsometry in dynamics mode showed that local values of the ellipsometric angles Ψ and Δ were strongly modified by the annealing process. Conclusion: A diffraction

• regimes in the dynamics of the nanoparticle growth and in the optical response of the nanocomposite. Keywords: gold; imaging ellipsometry; metal nanoparticles; plasmonic nanocomposite; polymer films; Introduction Over the last 20 years, numerous studies were carried out to investigate the optical

Subsurface imaging of flexible circuits via contact resonance atomic force microscopy

• Wenting Wang,
• Chengfu Ma,
• Yuhang Chen,
• Lei Zheng,
• Huarong Liu and
• Jiaru Chu

Beilstein J. Nanotechnol. 2019, 10, 1636–1647, doi:10.3762/bjnano.10.159

• optimal cantilever stiffness can be achieved through analysing the cantilever dynamics, which is able to establish the quantitative dependence of the resonance frequency sensitivity on the contact stiffness. Cantilever oscillation eigenmode The employed cantilever oscillation mode is another important

• the dispersion curve. The cantilever dynamics analysis and the tip–sample contact mechanics model can provide the dispersion relation between contact resonance frequency and contact stiffness, and the relationship between contact stiffness and local mechanical properties, respectively [16][44]. The

• well with the experimental results. The semi-analytical contact mechanics analysis, combined with a proper cantilever dynamics model, is proved to be convenient for guiding the experimental parameter optimization. Furthermore, detection of defects in the embedded circuit pattern was carried out by

Effects of surface charge and boundary slip on time-periodic pressure-driven flow and electrokinetic energy conversion in a nanotube

• Mandula Buren,
• Yongjun Jian,
• Yingchun Zhao,
• Long Chang and
• Quansheng Liu

Beilstein J. Nanotechnol. 2019, 10, 1628–1635, doi:10.3762/bjnano.10.158

• independent of the surface charge. However, recent theoretical and experimental results have shown that the surface charge affects the slip length. Joly et al. [18] used molecular dynamics simulations to find the relationship between slip length and surface charge density. The reason is that there exists an