Search results for "CAVI"

Characterizing Cavities in Model Inclusion Fullerenes: A Comparative Study

2001

Abstract: The fullerene-82 cavity is selected as a model system in order to test several methods for characterizing inclusion molecules. The methods are based on different technical foundations such as a square and triangular tessellation of the molecular surface, spherical tessellation of the molecular surface, numerical integration of the atomic volumes and surfaces, triangular tessellation of the molecular surface, and cubic lattice approach to the molecular volume. Accurate measures of the molecular volume and surface area have been performed with the pseudorandom Monte Carlo (MCVS) and uniform Monte Carlo (UMCVS) methods. These calculations serve as a reference for the rest of the meth…

Description of a new species: Dorylaimus parasiticus , a parasite of amphibians in the Iberian Peninsula (Nematoda: Dorylaimida)

1995

Dorylaimus parasiticussp. nov. (Nematoda: Dorylaimidae) si described from the digestive tract and general body cavity of Salamandra salamandra, Rana perezi, and Bufo bufo, amphibians of the Iberian Peninsula (Spain). This is the first record of a member of the Order Dorylaimida size, a thick transversely striated body cuticle with 20 to 26 longitudinal ridges.

Design and construction of halogen-bonded capsules and cages

2017

This thesis describes the design, synthesis and characterization of supramolecular halogen-bonded capsules and cages from multivalent ligands. In the first part of the thesis, an overview to halogen bonding is provided. After discussing the general features of the halogen bonding, the most frequently used halogen bond donors are introduced and examples of their utilization in halogen-bonded systems are discussed. The chapter also presents recent advances made in the field of halogen-bonded supramolecular capsules. The first part of the thesis also includes a review of halogen-bonded complexes involving halonium ions, and a brief introduction to [N···X+···N] halogen bonds is provided along w…

The determination of the initial straight length in root canals of mandibular premolars--an in vitro study.

2009

Abstract The aim of the present roentgenographic in vitro study was to determine the initial straight length from the cemento-enamel junction (CEJ) to the appearance of a root canal curvature in human mandibular premolars. A total number of 282 mandibular premolars were examined. Exclusion criteria comprised root caries, extensive restorations and endodontically treated teeth. The teeth were fixed and digitally radiographed by means of a specially developed fixation device with standardized and reproducible distances with the parallel technique (Heliodent MD; Merlin 2.1). The distances from the CEJ to the first curvature (> 5°) (distance I), from the first curvature to a second curvature (d…

Innovative ultrasound systems for preclinical studies: design and production of new instruments and set-ups for in vitro and in vivo experiments – Si…

Nano-sized I12L6 Molecular Capsules Based on the [N⋅⋅⋅I+⋅⋅⋅N] Halogen Bond

2017

Summary Self-assembly of pre-organized subunits with a concave overall shape is an effective strategy for the synthesis of supramolecular capsules. We report the synthesis of a cavitand-based hexameric capsule held together solely by 12 robust [N⋅⋅⋅I + ⋅⋅⋅N] halogen bonds and its characterization in solution and in the gas phase via 1 H NMR spectroscopy, diffusion-ordered nuclear magnetic resonance spectroscopy (DOSY), and electrospray ionization mass spectrometry. The [N⋅⋅⋅I + ⋅⋅⋅N] halogen-bonded hexameric capsule was efficiently synthesized from the isolobal metallosupramolecular Ag + capsule by application of the [N⋅⋅⋅Ag + ⋅⋅⋅N] → [N⋅⋅⋅I + ⋅⋅⋅N] cation-exchange reaction.

Eco-friendly cavity-containing iron oxides prepared by mild routes as very efficient catalysts for the total oxidation of VOCs

2018

Iron oxides (FeOx) are non-toxic, non-expensive and environmentally friendly compounds, which makes them good candidates for many industrial applications, among them catalysis. In the present article five catalysts based on FeOx were synthesized by mild routes: hydrothermal in subcritical and supercritical conditions (Fe-HT, Few200, Few450) and solvothermal (Fe-ST1 and Fe-ST2). The catalytic activity of these catalysts was studied for the total oxidation of toluene using very demanding conditions with high space velocities and including water and CO2 in the feed. The samples were characterized by X-ray diffraction (XRD), scanning and high-resolution transmission electron microscopy (SEM and…

Identifying Vibrations that Control Non-adiabatic Relaxation of Polaritons in Strongly Coupled Molecule-Cavity Systems

2022

The strong light–matter coupling regime, in which excitations of materials hybridize with excitations of confined light modes into polaritons, holds great promise in various areas of science and technology. A key aspect for all applications of polaritonic chemistry is the relaxation into the lower polaritonic states. Polariton relaxation is speculated to involve two separate processes: vibrationally assisted scattering (VAS) and radiative pumping (RP), but the driving forces underlying these two mechanisms are not fully understood. To provide mechanistic insights, we performed multiscale molecular dynamics simulations of tetracene molecules strongly coupled to the confined light modes of an…

All polarization-maintaining assively mode-locked yb-doped fiber laser : pulse compression using an anomalous polarization-maintaining photonic cryst…

2019

We report the generation of short pulses at 1 μm using an all-polarization-maintaining (PM) fiber configuration. The pulses are provided by an all normal-dispersion Fabry-Perot Yb-doped cavity and are compressed with an anomalous polarization-maintaining photonic crystal fiber (PM PCF). Opposed to standard configurations; here the filtering action is solely performed by the finite bandwidth of the gain medium. The laser generates 8 ps width sech 2 profile pulses at 1046.8 nm with a −10 dB bandwidth of 5.9 nm. After compression using the PM PCF, pulses with an FWHM of 3 ps were obtained, limited by the actual value of the available anomalous dispersion. We also report the changes in the outp…

Topological Protection and Control of Quantum Markovianity

2020

This article belongs to the Special Issue Topological Photonics.