Antitumor magnetic hyperthermia induced by RGD-functionalized Fe₃O₄ nanoparticles, in an experimental model of colorectal liver metastases

• Oihane K. Arriortua,
• Eneko Garaio,
• Borja Herrero de la Parte,
• Maite Insausti,
• Luis Lezama,
• Fernando Plazaola,
• Jose Angel García,
• Jesús M. Aizpurua,
• Maialen Sagartzazu,
• Mireia Irazola,
• Nestor Etxebarria,
• Ignacio García-Alonso,
• Alberto Saiz-López and
• José Javier Echevarria-Uraga

Beilstein J. Nanotechnol. 2016, 7, 1532–1542, doi:10.3762/bjnano.7.147

• at this frequency the NPs present a SAR high enough to create hyperthermia conditions. Precisely at 14 kA/m field intensity and 606 kHz field frequency, a linear interpolation gives a SAR value of 900 W/g for the measured sample. Intra-arterial administration of MNP suspensions and hyperthermia

Three-gradient regular solution model for simple liquids wetting complex surface topologies

• Sabine Akerboom,
• Marleen Kamperman and
• Frans A. M. Leermakers

Beilstein J. Nanotechnol. 2016, 7, 1377–1396, doi:10.3762/bjnano.7.129

• -filled cavity, resulting in a longer contact line as compared to advancing droplets. For a given snapshot we can evaluate the contact angle θ(x,z) in the (z,y)-plane by estimating by interpolation the position y′ of the interface, where the φ(x, y′, z) = 0.5. In other words, the y′-position of the liquid

Simple and efficient way of speeding up transmission calculations with k-point sampling

• Jesper Toft Falkenberg and
• Mads Brandbyge

Beilstein J. Nanotechnol. 2015, 6, 1603–1608, doi:10.3762/bjnano.6.164

• ” first principles calculations where the leads/electrodes are described by periodic boundary conditions. We show examples of transport in graphene structures where a speed-up of an order of magnitude is easily obtained. Keywords: density functional theory; electronic conductance; interpolation; post

• wavefunctions, which tend to be elaborate. In this paper we present a simple and efficient post-processing interpolation scheme which can significantly speed up the convergence with respect to k-points. We illustrate the method by applying it to various graphene-based nano-structures which are prone to bad

• convergence due to its vanishing density of states at the Fermi level. In the remaining parts of the paper we first explain the workings of the interpolation scheme in section Results and Discussion, while we investigate various test cases in section Example cases, and finally discuss limitations to the

A surface acoustic wave-driven micropump for particle uptake investigation under physiological flow conditions in very small volumes

• Florian G. Strobl,
• Dominik Breyer,
• Phillip Link,
• Adriano A. Torrano,
• Christoph Bräuchle,
• Matthias F. Schneider and
• Achim Wixforth

Beilstein J. Nanotechnol. 2015, 6, 414–419, doi:10.3762/bjnano.6.41

• ] is applied to extract the three-dimensional velocity profile in following steps: Single videos are analyzed in a batch process by using PIVlab to determine the local velocity profiles. The results at single positions are stitched and missing data points are recovered by linear interpolation, ending

Influence of size, shape and core–shell interface on surface plasmon resonance in Ag and Ag@MgO nanoparticle films deposited on Si/SiO_x

• Sergio D’Addato,
• Daniele Pinotti,
• Maria Chiara Spadaro,
• Guido Paolicelli,
• Vincenzo Grillo,
• Sergio Valeri,
• Luca Pasquali,
• Luca Bergamini and
• Stefano Corni

Beilstein J. Nanotechnol. 2015, 6, 404–413, doi:10.3762/bjnano.6.40

• spline interpolation of the experimental data for the crystalline silicon and MgO, respectively, by Palik [40]. The optical behaviour of the silver comprising the NPs is provided by the fit of the Lynch & Hunter silver data [38] by Blaber, et al. [39]. Since the size of the involved NPs is of a few

Exploiting the hierarchical morphology of single-walled and multi-walled carbon nanotube films for highly hydrophobic coatings

• Francesco De Nicola,
• Paola Castrucci,
• Manuela Scarselli,
• Francesca Nanni,
• Ilaria Cacciotti and
• Maurizio De Crescenzi

Beilstein J. Nanotechnol. 2015, 6, 353–360, doi:10.3762/bjnano.6.34

• ImageJ was exploited to estimate the contact angle values. This plugin exploits an algorithm based on a small-perturbation solution of the Young–Laplace equation [22]. Furthermore, the presented method is applied to a continuous image of the droplet by using cubic B-Spline interpolation of the drop

Accurate, explicit formulae for higher harmonic force spectroscopy by frequency modulation-AFM

• Kfir Kuchuk and
• Uri Sivan

Beilstein J. Nanotechnol. 2015, 6, 149–156, doi:10.3762/bjnano.6.14

• approximations of large or small amplitudes [15], but later Sader and Jarvis derived an interpolation formula which is valid for all amplitudes [12][13] (the Sader–Jarvis formula). Its application has also been extended to AM-AFM [16]. Expressions similar to Equation 2, relating the Fourier components of higher

• intermediate regime. Substituting Equation 12 into Equation 11 and using the following results of fractional calculus [12], where α > 0 and m = [α] + 1, the force is expressed explicitly in terms of the interpolation parameters ci, di. In particular, if di are chosen to be integers, the force is given by The

• force may thus be derived in terms of any harmonic, provided that the interpolation coefficients ci approximate Bn sufficiently well. Explicit formulae for the force in terms of harmonics 2–6 of the fundamental frequency are given in Table 1, where the interpolation coefficients were calculated such

Constant chemical potential approach for quantum chemical calculations in electrocatalysis

• Wolfgang B. Schneider and
• Alexander A. Auer

Beilstein J. Nanotechnol. 2014, 5, 668–676, doi:10.3762/bjnano.5.79

• . This, however, necessitates a complex computational scheme, for which several calculations have to be carried out in combination with an interpolation scheme that is far from the convenience of a black box application inherent to standard electronic structure calculations. In the literature, only very

• compared to a previous work [25] in which the energy of platinum clusters at a given potential was determined by an interpolation scheme. There, it is necessary to calculate the energy of the system at least for three different numbers of electrons in order to obtain a result for a given potential. In

Single-asperity contact mechanics with positive and negative work of adhesion: Influence of finite-range interactions and a continuum description for the squeeze-out of wetting fluids

• Martin H. Müser

Beilstein J. Nanotechnol. 2014, 5, 419–437, doi:10.3762/bjnano.5.50

Influence of the adsorption geometry of PTCDA on Ag(111) on the tip–molecule forces in non-contact atomic force microscopy

• Gernot Langewisch,
• Jens Falter,
• André Schirmeisen and
• Harald Fuchs

Beilstein J. Nanotechnol. 2014, 5, 98–104, doi:10.3762/bjnano.5.9

• , the minimum of the color scale was adjusted to match the minimum force value within the cut. Furthermore, a slight linear interpolation with a factor of 2 was applied. (a) Horizontal cut through the 3D force field at z = 0.60 nm and (b) vertical cuts at y = 0.9 nm and x ≈ 2.3 nm (diagonal progression

3D nano-structures for laser nano-manipulation

• Gediminas Seniutinas,
• Lorenzo Rosa,
• Gediminas Gervinskas,
• Etienne Brasselet and
• Saulius Juodkazis

Beilstein J. Nanotechnol. 2013, 4, 534–541, doi:10.3762/bjnano.4.62

• divergence of the electric field, one must take into account an unavoidable feature of the FDTD method in that each field component (Ex, Ey, Ez, Hx, Hy, Hz) is calculated for a different point of the Yee cell. As it was recently shown [17], an interpolation scheme can be used to estimate the field at the

• boundary. Similarly, for the magnetic force, the cross product calculation requires to interpolate the B vector components in the positions where the components of j are defined. In this case, both Bx and By are discontinuous at the interface. However, with the employed scheme [17] the interpolation error

Synthesis and thermoelectric properties of Re₃As_6.6In_0.4 with Ir₃Ge₇ crystal structure

• Valeriy Y. Verchenko,
• Anton S. Vasiliev,
• Alexander A. Tsirlin,
• Vladimir A. Kulbachinskii,
• Vladimir G. Kytin and
• Andrei V. Shevelkov

Beilstein J. Nanotechnol. 2013, 4, 446–452, doi:10.3762/bjnano.4.52

• reactants into pellets led to phase-pure samples. Some general trends should be noted. For the samples with 0 ≤ x ≤ 0.4, absolute intensities and, thus, quantities of admixtures remain constant, while for x > 0.5, quantities of Re and InAs start to increase. Additionally, we found by a linear interpolation

Magnetic anisotropy of graphene quantum dots decorated with a ruthenium adatom

• Igor Beljakov,
• Velimir Meded,
• Franz Symalla,
• Karin Fink,
• Sam Shallcross and
• Wolfgang Wenzel

Beilstein J. Nanotechnol. 2013, 4, 441–445, doi:10.3762/bjnano.4.51

• environment. On the other hand, graphene flakes both provide a natural interpolation between the two limits, i.e., the infinite graphene sheet and the benzene ring, which have already been studied in the literature, as well as provide a possible template for the adsorption of magnetic adatoms, by preferential

Polynomial force approximations and multifrequency atomic force microscopy

• Daniel Platz,
• Daniel Forchheimer,
• Erik A. Tholén and
• David B. Haviland

Beilstein J. Nanotechnol. 2013, 4, 352–360, doi:10.3762/bjnano.4.41

• different types of interpolation polynomials with different convergence properties can also be applied. The polynomial reconstruction based on force quadrature data can be implemented even more efficiently than the reconstruction on spectral data since multiple Fourier transforms to construct the coupling

Analysis of force-deconvolution methods in frequency-modulation atomic force microscopy

• Joachim Welker,
• Esther Illek and
• Franz J. Giessibl

Beilstein J. Nanotechnol. 2012, 3, 238–248, doi:10.3762/bjnano.3.27

• ) are investigated with respect to the deconvolution quality. Both methods show a nontrivial dependence of the deconvolution quality on the oscillation amplitude. The matrix method exhibits spikelike features originating from a numerical artifact. By interpolation of the data, the spikelike features can

• always goes back to its optimum value even for low ratios of A/d < 30. If the data points are not given in an appropriate spacing, interpolation methods can be used. This additional data processing increases computational time and memory requirements for the deconvolution. In general it is advisable to

• is optimal. However, the positions of the minima and the maximum are not connected to the ratio A/d. Therefore, interpolation does not yield a better deconvolution performance. In fact, the deconvolution quality depends on the ratio of the amplitude and the characteristic decay length of the force

Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces

• David M. Benoit,
• Bruno Madebene,
• Inga Ulusoy,
• Luis Mancera,
• Yohann Scribano and
• Sergey Chulkov

Beilstein J. Nanotechnol. 2011, 2, 427–447, doi:10.3762/bjnano.2.48

• inadequate result for the VSCF approach when compared to the fully coupled system. Finally, the main algorithm used to compute VSCF frequencies is shown in Figure 3. Once the diagonal solutions have been computed, the program reads in the 2-D PES cuts and interpolates them using a bicubic interpolation

Simulation of bonding effects in HRTEM images of light element materials

• Simon Kurasch,
• Jannik C. Meyer,
• Daniela Künzel,
• Axel Groß and
• Ute Kaiser

Beilstein J. Nanotechnol. 2011, 2, 394–404, doi:10.3762/bjnano.2.45

• an accurate 3D potential is obtained and renormalized it can be used for TEM image simulation. Thereby each direction of the incident beam can be modeled by rotating the 3D potential using linear interpolation algorithms. Influence of DFT parameters In order to set up meaningful DFT calculations, it

Structural and magnetic properties of ternary Fe_1–xMn_xPt nanoalloys from first principles

• Markus E. Gruner and
• Peter Entel

Beilstein J. Nanotechnol. 2011, 2, 162–172, doi:10.3762/bjnano.2.20

• accurate description of structural properties of ferrous alloys, the use of the generalized gradient approximation (GGA) for the representation of the exchange–correlation functional is mandatory. In the present work, the formulation of Perdew and Wang [47][48] in connection with the spin interpolation

Review and outlook: from single nanoparticles to self-assembled monolayers and granular GMR sensors

• Alexander Weddemann,
• Inga Ennen,
• Anna Regtmeier,
• Camelia Albon,
• Annalena Wolff,
• Katrin Eckstädt,
• Nadine Mill,
• Michael K.-H. Peter,
• Jochen Mattay,
• Carolin Plattner,
• Norbert Sewald and
• Andreas Hütten

Beilstein J. Nanotechnol. 2010, 1, 75–93, doi:10.3762/bjnano.1.10