Oligothiophene Self‐Assembly on the Surface of ZnO Nanorods: Toward Coaxial p–n Hybrid Heterojunctions

We describe herein the design, synthesis and detailed structural characterization of hybrid 1D nanostructures. They are prepared by supramolecular self‐assembly of oligothiophene molecules on the surface of zinc oxide nanorods in solution at room temperature. Electronic absorption spectroscopy and X‐ray diffraction show that both organic and inorganic components in the coaxial p–n heterojunctions are crystalline. Especially, it is demonstrated that the organic compounds form a self‐assembled monolayer at the surface of the nanorods, which is not the case when zinc oxide quantum dots are instead used. As a result of their hybrid nature, the 1D nanostructures lead to ambipolar semiconducting nanostructured materials as active layers in field‐effect transistors.     

Optical properties of erbium-doped fluorochlorozirconate glasses

We report the optical properties of a fluorochlorozirconate (FCZ) glass with the composition 53% ZrF₄, 20% NaF, 3.5% AlF₃, 3% LaF₃, 0.5% InF₃, (20 ? x)% BaCl₂, x% BaF₂ with x varying from 0% to 2%, and doped with various amounts of trivalent erbium by the addition of ErCl₃. Annealing of the as-prepared glass in inert (N₂) or reducing (5%H₂ + 95%Ar) atmospheres at temperatures that ensure the conversion of the glass into a glass-ceramic by the nucleation of BaCl₂ nanocrystals, does not significantly change any of Er³⁺ related absorption and photoluminescence (PL) characteristics. We have carried out a Judd–Ofelt analysis of the absorption spectra and obtained Ω₂ = (1.92 ± 0.3) × 10^? 20 cm², Ω₄ = (0.88 ± 0.16) × 10^? 20 cm² and Ω₆ = (0.59 ± 0.08) × 10^? 20 cm², and also the radiative lifetimes of the ⁴I_13/2→⁴I_15/2, ⁴I_11/2→⁴I_15/2 and ⁴S_3/2→⁴I_15/2 bands. The radiative lifetime from the Judd–Ofelt analysis for the ⁴I_13/2→⁴I_15/2 band is in good agreement with the experimentally measured PL decay time. The examination of the optical properties of powdered samples with different average particle size does not show any photon trapping effects. We have determined the spectral absorption and emission cross-sections and then estimated the possible spectral optical gain for varying degrees of relative populations of the ⁴I_13/2 and ⁴I_15/2 manifolds.     

Synthesis of bis‐intercalators with an aminochloropyrimidine ring as potential anticancer agents

The synthesis of a series of polymethylene chain‐bridged aminochloropyrimidines as potential DNA intercalators is described. N,N'‐Bis(2‐amino‐6‐chloro‐4‐pyrimidyl)‐1,3‐diaminopropane ( 3 ), N,N'‐bis(2‐amino‐6‐chloro‐4‐pyrimidyl)‐1,4‐diaminobutane ( 4 ), N,N'‐bis(2‐amino‐6‐chloro‐4‐pyrimidyl)‐1,6‐diaminohexane ( 5 ), N,N'‐bis(2‐amino‐6‐chloro‐4‐pyrimidyl)‐1,8‐diaminooctane ( 6 ), N,N'‐bis(2‐amino‐6‐chloro‐4‐pyrimidyl)‐1,10‐diaminodecane ( 7 ), and N,N'‐bis(2‐amino‐6‐chloro‐4‐pyrimidyl)‐1,12‐diaminododecane ( 8 ) were synthesized from 2‐amino‐4,6‐dichloropyrimidine ( 1 ) and 1,3‐diaminopropane, 1,4‐diaminobutane, 1,6‐diaminohexane, 1,8‐diaminooctane, 1,10‐diaminodecane, and 1,12‐diaminododecane, respectively. The spectral data and other physical properties of the new compounds are discussed.     

Shadowgraph, Schlieren and interferometry in a 2D cavitating channel flow

Cavitation plays an important role in fuel atomization mechanisms, but the physics of cavitation and its impact on spray formation and injector efficiency are not well documented yet. Experimental investigations are required to support the development and the validation of numerical models and the design of tomorrow??s injectors, in the context of pollutant and fuel consumption reduction. The complexity of modern injectors and the extreme conditions of injection do not facilitate experimental investigations. In this paper, experiments are conducted in a simplified geometry. The model nozzle consists of a transparent 2D micro-channel supplied with a test oil (ISO 4113). Three different optical techniques are proposed to investigate the channel flow, with the pressure drop between upstream and downstream chambers as a parameter. A shadowgraph-like imaging technique allows the observation of cavitation inception and vapor cavities development throughout the channel. The technique also reveals the presence of density gradients (pressure or temperature) in the channel flow. However, this additional information is balanced by difficulties in image interpretation, which are discussed in the paper. In addition, a combination of Schlieren technique and interferometric imaging is used to measure the density fields inside the channel. The three techniques results are carefully analyzed and confronted. These results reveal a wealth of information on the flow, with pressure waves generated by bubble collapses, turbulence in the wake of vapor cavities and bubble survival in flow regions of high pressure. Our results also show that cavitation inception is located in the shear layers between the recirculation zones and the main flow, relatively far from the inlet corner, where the pressure is minimum in average. To explain this behavior, we propose a scenario of cavitation inception based on the occurrence and the growing of instabilities in the shear layers.     

Analytical and numerical prediction of harmonic sound power in the inlet of aero-engines with emphasis on transonic rotation speeds

Tone noise radiated through the inlet of a turbofan is mainly due to rotor-stator interactions at subsonic regimes (approach flight), and to the shock waves attached to each blade at supersonic helical tip speeds (takeoff). The axial compressor of a helicopter turboshaft engine is transonic as well and can be studied like turbofans at takeoff. The objective of the paper is to predict the sound power at the inlet radiating into the free field, with a focus on transonic conditions because sound levels are much higher. Direct numerical computation of tone acoustic power is based on a RANS (Reynolds averaged Navier–Stokes) solver followed by an integration of acoustic intensity over specified inlet cross-sections, derived from Cantrell and Hart equations (valid in irrotational flows). In transonic regimes, sound power decreases along the intake because of nonlinear propagation, which must be discriminated from numerical dissipation. This is one of the reasons why an analytical approach is also suggested. It is based on three steps: (i) appraisal of the initial pressure jump of the shock waves; (ii) 2D nonlinear propagation model of Morfey and Fisher; (iii) calculation of the sound power of the 3D ducted acoustic field. In this model, all the blades are assumed to be identical such that only the blade passing frequency and its harmonics are predicted (like in the present numerical simulations). However, transfer from blade passing frequency to multiple pure tones can be evaluated in a fourth step through a statistical analysis of irregularities between blades. Interest of the analytical method is to provide a good estimate of nonlinear acoustic propagation in the upstream duct while being easy and fast to compute. The various methods are applied to two turbofan models, respectively in approach (subsonic) and takeoff (transonic) conditions, and to a Turbomeca turboshaft engine (transonic case). The analytical method in transonic appears to be quite reliable by comparison with the numerical solution and with available experimental data.     

Correction strategy for diffusion-weighted images corrupted with motion: application to the DTI evaluation of infants' white matter

Objective

Diffusion imaging techniques such as DTI and HARDI are difficult to implement in infants because of their sensitivity to subject motion. A short acquisition time is generally preferred, at the expense of spatial resolution and signal-to-noise ratio. Before estimating the local diffusion model, most pre-processing techniques only register diffusion-weighted volumes, without correcting for intra-slice artifacts due to motion or technical problems. Here, we propose a fully automated strategy, which takes advantage of a high orientation number and is based on spherical-harmonics decomposition of the diffusion signal.

Material and methods

The correction strategy is based on two successive steps: 1) automated detection and resampling of corrupted slices; 2) correction for eddy current distortions and realignment of misregistered volumes. It was tested on DTI data from adults and non-sedated healthy infants.

Results

The methodology was validated through simulated motions applied to an uncorrupted dataset and through comparisons with an unmoved reference. Second, we showed that the correction applied to an infant group enabled to improve DTI maps and to increase the reliability of DTI quantification in the immature cortico-spinal tract.

Conclusion

This automated strategy performed reliably on DTI datasets and can be applied to spherical single- and multiple-shell diffusion imaging.     

Experimental analysis of the influence of damping on the resonance behavior of a spherical pendulum

This study describes the experimental and numerical dynamic analysis of a kinematically excited spherical pendulum. The stability of the response in the vertical plane was analyzed in the theoretically predicted auto-parametric resonance domain. Three different types of the resonance domain were investigated the properties of which depended significantly on the dynamic parameters of the pendulum and the excitation amplitude. A mathematical model was used to represent the nonlinear characteristics of the pendulum, which includes the asymmetrical damping. A special frame was developed to carry out the experiments, which contained the pendulum supported by the Cardan joint and two magnetic units attached to the supporting axes of rotation, and this was able to reproduce linear viscous damping for both of the principal response components. The stability analysis of the system was compared with the numerical solution of the governing equations and experimental observation. The most significant practical outcomes for designers are also summarized.     

Hydrogels Incorporating GdDOTA: Towards Highly Efficient Dual T(1) /T(2) MRI Contrast Agents

Do not tumble dry: Gadolinium-DOTA encapsulated into polysaccharide nanoparticles (GdDOTA?NPs) exhibited high relaxivity (r(1) =101.7?s(-1) mM(-1) per Gd(3+) ion at 37?°C and 20?MHz). This high relaxation rate is due to efficient Gd loading, reduced tumbling of the Gd complex, and the hydrogel nature of the nanoparticles. The efficacy of the nanoparticles as a T(1) /T(2) dual-mode contrast agent was studied in C6 cells.     

Ab initio study of the solvent H-bonding effect on ESIPT reaction and electronic transitions of 3-hydroxychromone derivatives

The electronic transitions occurring in 4-(N,N-dimethylamino)-3-hydroxyflavone (DMAF) and 2-furanyl-3-hydroxychromone (FHC) were investigated using the TDDFT method in aprotic and protic solvents. The solvent effect was incorporated into the calculations via the PCM formalism. The H-bonding between solute and protic solvent was taken into account by considering a molecular complex between these molecules. To examine the effect of the H-bond on the ESIPT reaction, the absorption and emission wavelengths as well as the energies of the different states that intervene during these electronic transitions were calculated in acetonitrile, ethanol and methanol. The calculated positions of the absorption and emission wavelengths in various solvents were in excellent agreement with the experimental spectra, validating our approach. We found that in DMAF, the hydrogen bonding with protic solvents makes the ESIPT reaction energetically unfavourable, which explains the absence of the ESIPT tautomer emission in protic solvents. In contrast, the excited tautomer state of FHC remains energetically favourable in both aprotic and protic solvents. Comparing our calculations with the previously reported time-resolved fluorescence data, the ESIPT reaction of DMAF in aprotic solvents is reversible because the emitting states are energetically close, whereas in FHC, ESIPT is irreversible because the tautomer state is below the corresponding normal state. Therefore, the ESIPT reaction in DMAF is controlled by the relative energies of the excited states (thermodynamic control), while in FHC the ESIPT is controlled probably by the energetic barrier (kinetic control).