Search results for "Planar"
showing 10 items of 412 documents
Semiflexible Macromolecules with Discrete Bond Angles Confined in Nanoslits: A Monte Carlo Test of Scaling Concepts
2013
Single semiflexible polymer chains confined in a planar slit geometry between parallel nonadsorbing repulsive walls a distance D apart are studied by Monte Carlo simulations of a lattice model, for the case of good solvent conditions. The polymers are modeled as self-avoiding walks on the simple cubic lattice, where every 90° kink requires a bending energy eb. For small qb = exp(−eb/kBT) the model has a large persistence length lp (given by lp ≈ 1/(4qb) in the bulk three-dimensional dilute solution, in units of the lattice spacing). Unlike the popular Kratky–Porod model of worm-like chains, this model takes both excluded volume into account and approximates the fact that bond angles between…
Determination of Cochlear Duct Length With 3D Versus Two-dimensional Methods: A Retrospective Clinical Study of Imaging by Computed Tomography and Co…
2021
BACKGROUND The aim of this study was to compare three different methods for measurement of cochlear duct length (CDL) in the clinical setting for two different imaging modalities, namely computed tomography (CT) and cone-beam computed tomography (CBCT). PATIENTS AND METHODS One hundred temporal bone data sets (CT: n=50; CBCT: n=50) of non-malformed cochleae were retrospectively analyzed using three different CDL estimation techniques: 3D curved multiplanar reconstruction (cMPR), 2D cMPR and the A-value formula. RESULTS The data sets belonged to 60 patients (34 males, 26 females; mean age=50.28±18.58 years). For both imaging modalities, application of the 3D cMPR estimation technique led to …
Comparative enantioseparation of planar chiral ferrocenes on polysaccharide‐based chiral stationary phases
2022
Planar chiral ferrocenes are well-known compounds that have attracted interest for application in synthesis, catalysis, material science, and medicinal chemistry for several decades. In spite of the fact that asymmetric synthesis procedures for obtaining enantiomerically enriched ferrocenes are available, sometimes, the accessible enantiomeric excess of the chiral products is unsatisfactory. In such cases and for resolution of racemic planar chiral ferrocenes, enantioselective high-performance liquid chromatography (HPLC) on polysaccharide-based chiral stationary phases (CSPs) has been used in quite a few literature articles. However, although moderate/high enantioselectivities have been ob…
Smectic C and Nematic Phases in Strongly Adsorbed Layers of Semiflexible Polymers
2017
Molecular dynamics simulations of semiflexible polymers in a good solvent reveal a dense adsorbed layer when the solution is exposed to an attractive planar wall. This layer exhibits both a nematic and a smectic phase (smA for short and smC for longer chains) with bond vectors aligned strictly parallel to the wall. The tilt angle of the smC phase increases strongly with the contour length of the polymers. The isotropic-nematic transition is a Kosterlitz-Thouless transition and also the nematic-smectic transition is continuous. Our finding demonstrates thus a two-dimensional realization of different liquid crystalline phases, ubiquitous in three dimensions, that occurs in a single monomolecu…
Scanning optical microscopy modeling in nanoplasmonics
2012
International audience; One of the main purposes of nanoplasmonics is the miniaturization of optical and electro-optical components that could be integrable in coplanar geometry. In this context, we propose a numerical model of a polarized scanning optical microscope able to faithfully reproduce both photon luminescence and temperature distribution images associated with complex plasmonic structures. The images are computed, pixel by pixel, through a complete self-consistent scheme based on the Green dyadic functions (GDF) formalism. The basic principle consists in the numerical implementation of a realistic three-dimensional light beam acting as a virtual light tip able to probe the volume…
Observation of light-by-light scattering in ultraperipheral Pb+Pb collisions with the ATLAS detector
2019
This Letter describes the observation of the light-by-light scattering process, γγ→γγ, in Pb+Pb collisions at √sNN=5.02 TeV. The analysis is conducted using a data sample corresponding to an integrated luminosity of 1.73 nb−1, collected in November 2018 by the ATLAS experiment at the LHC. Light-by-light scattering candidates are selected in events with two photons produced exclusively, each with transverse energy EγT>3 GeV and pseudorapidity |ηγ|<2.4, diphoton invariant mass above 6 GeV, and small diphoton transverse momentum and acoplanarity. After applying all selection criteria, 59 candidate events are observed for a background expectation of 12±3 events. The observed excess of events…
Concentration depending fluorescence of 8-(di-(2-picolyl)) aminoBODIPY in solution
2014
[EN] An 8-dipicolylBODIPY derivative has been prepared and its photophysical properties evaluated under different conditions. Two different structures, hemicyanine and cyanine, are observed (depending on the solvent or the solution concentration). The hemicyanine form is not emissive whereas the cyanine form is fluorescent. This behavior is related with the planarity degree of the BODIPY core. The X-ray structure of the compound is reported and it shows that in solid state the hemicyanine form is present. The hemicyanine form seems to be stabilized by aggregation and is the main compound in concentrated solutions whereas the cyanine form is present in diluted solutions that are photochemica…
A tool for filtering information in complex systems
2005
We introduce a technique to filter out complex data-sets by extracting a subgraph of representative links. Such a filtering can be tuned up to any desired level by controlling the genus of the resulting graph. We show that this technique is especially suitable for correlation based graphs giving filtered graphs which preserve the hierarchical organization of the minimum spanning tree but containing a larger amount of information in their internal structure. In particular in the case of planar filtered graphs (genus equal to 0) triangular loops and 4 element cliques are formed. The application of this filtering procedure to 100 stocks in the USA equity markets shows that such loops and cliqu…
Computational modeling of single-versus double-anchoring modes in di-branched organic sensitizers on TiO2 surfaces: structural and electronic propert…
2014
We present a first-principles DFT investigation of the adsorption geometry on the anatase (101) surface of a prototypical di-branched organic dye based on the extended tetrathiafulvalene moiety, incorporating two anchoring cyanoacrylic acid units. Reduced model systems with one and two anchoring groups have been initially studied to investigate the vibrational frequencies related to TiO2 dye adsorption. Our calculations confirm that the reduced systems can be used as reliable models to study the anchoring modes and that the conclusions extracted from the reduced systems can be extrapolated to the entire molecule. A series of molecular structures have been investigated to simulate the anchor…
When does Wenzel's extension of Young's equation for the contact angle of droplets apply? A density functional study.
2020
he contact angle of a liquid droplet on a surface under partial wetting conditions differs for a nanoscopically rough or periodically corrugated surface from its value for a perfectly flat surface. Wenzel's relation attributes this difference simply to the geometric magnification of the surface area (by a factor $r_{\rm w}$), but the validity of this idea is controversial. We elucidate this problem by model calculations for a sinusoidal corrugation of the form $z_{\rm wall}(y) = \Delta\cos(2\pi y/\lambda)$ , for a potential of short range $\sigma_{\rm w}$ acting from the wall on the fluid particles. When the vapor phase is an ideal gas, the change of the wall-vapor surface tension can be co…