Two fluoro compounds of main group elements: Synthesis,characterization, theoretical and spectroscopic study

Two new compounds of fluorine: (C₂H₅)₄N[I₂F] and (C₂H₅)₄N[Br₂F], have been easily synthesized in a nearly quantitative by a direct reaction of (C₂H₅)₄NF, I₂ and Br₂. The products were isolated and characterized by elemental analysis and spectroscopic methods such as: Fourier transform infrared spectroscopy (FTIR) and ultraviolet-visible spectroscopy (UV-Vis). These compounds have been studied computationally with the Scalar ZORA relativistic level of theory using the ADF program package. The molecular parameters, and vibrational spectra were calculated. The excitation energies were found by timedependent perturbation density functional theory (TD-DFT). Molecule optimization, frequencies and excitation energies were calculated with standard Slatertype-orbital (STO) basis sets with triple-zeta quality double plus polarization functions (TZ2P) for all atoms. The FTIR, UV-Vis spectra and assignment of principal transitions and total density of state (TDOS) were extracted using the GaussSum 2.2 program. The comparison between experimental and calculated values showes that the experimental results correlate well with the predicted data.     

Voice Quality in Laryngeal Cancer Patients: A Randomized Controlled Study of the Effect of Voice Rehabilitation

ObjectivesThe study aimed to investigate the short-term and long-term effects of voice rehabilitation in patients treated with radiotherapy for laryngeal cancer as measured by both the acoustic measure smoothed cepstral peak prominence (CPPS) and perceptual measures. A secondary aim was to investigate the relationship between acoustic and perceptual measures.MethodsIn total, 37 patients received voice rehabilitation post-radiotherapy and 37 patients constituted the irradiated control group. Outcome measures were mean CPPS for connected speech and ratings with the auditory-perceptual Grade, Roughness, Breathiness, Asthenia and Strain (GRBAS) scale. Outcome measures were analyzed 1 (baseline), 6, 12, and 24 months post-radiotherapy, where voice rehabilitation was conducted between the first two time-points. Additional recordings were acquired from vocally healthy participants for comparison.ResultsCPPS values of the voice rehabilitation group and vocally healthy group were not significantly different at 24 months post-radiotherapy. Ten out of 19 patients who received voice rehabilitation yielded a CPPS value above the threshold for normal voice 24 months post-radiotherapy, compared to 11 out of 26 in the irradiated control group. No statistically significant correlations were found between CPPS and perceptual parameters of GRBAS.ConclusionVoice rehabilitation for irradiated laryngeal cancer patients may have positive effects on voice quality up to 24 months post-radiotherapy. The relationship between CPPS and GRBAS as well as the applicability of CPPS for evaluation over several points of measurement needs to be studied further.     

A sensitive and efficient method for trace analysis of some phenolic compounds using simultaneous derivatization and air‐assisted liquid–liquid microextraction from human urine and plasma samples followed by gas chromatography–nitrogen phosphorous detection

In present study, a simultaneous derivatization and air‐assisted liquid–liquid microextraction method combined with gas chromatography–nitrogen phosphorous detection has been developed for the determination of some phenolic compounds in biological samples. The analytes are derivatized and extracted simultaneously by a fast reaction with 1‐flouro‐2,4‐dinitrobenzene under mild conditions. Under optimal conditions low limits of detection in the range of 0.05–0.34 ng mL^?1 are achievable. The obtained extraction recoveries are between 84 and 97% and the relative standard deviations are less than 7.2% for intraday (n = 6) and interday (n = 4) precisions. The proposed method was demonstrated to be a simple and efficient method for the analysis of phenols in biological samples. Copyright © 2015 John Wiley & Sons, Ltd.     

Caesium carbonate supported on hydroxyapatite‐encapsulated Ni0.5Zn0.5Fe2O4 nanocrystallites as a novel magnetically basic catalyst for the one‐pot synthesis of pyrazolo[1,2‐b]phthalazine‐5,10‐diones

A novel nanomagnetic basic catalyst of caesium carbonate supported on hydroxyapatite‐coated Ni_0.5Zn_0.5Fe₂O₄ magnetic nanoparticles (Ni_0.5Zn_0.5Fe₂O₄@HAP‐Cs₂CO₃) was prepared. This new catalyst was fully characterized using Fourier transform infrared spectroscopy, transmission and scanning electron microscopy, X‐ray diffraction and vibrating sample magnetometry techniques, and then the catalytic activity of this catalyst was investigated in the synthesis of 1H‐pyrazolo[1,2‐b]phthalazine‐5,10‐dione derivatives. Also, Ni_0.5Zn_0.5Fe₂O₄@HAP‐Cs₂CO₃ could be reused at least five times without significant loss of activity and could be recovered easily by applying an external magnet. Thus, the developed nanomagnetic catalyst is potentially useful for the green and economic production of organic compounds. Copyright © 2015 John Wiley & Sons, Ltd.     

Multiwave interaction solutions for a (3+1)-dimensional generalized Kadomtsev-Petviashvili equation

To construct a class of new multiwave interaction solutions for the (3+1)-dimensional generalized Kadomtsev-Petviashvili equation, we calculate different types of interaction solutions among solitons, periodic waves and rational waves using the direct algebraic method together with the inheritance solving skill. Moreover, a new algorithm is proposed with the aid of the simplified Hirota method, the conjugated parameters assignment and long wave limit strategies, from which multiwave interaction solutions among solitons, breathers and lump waves are generated.     

Radial breathing-mode frequency of elastically confined spherical nanoparticles subjected to circumferential magnetic field

Knowledge of the vibrational properties of nanoparticles is of fundamental interest since it is a signature of their morphology, and it can be utilized to characterize their physical properties. In addition, the vibration characteristics of the nanoparticles coupled with surrounding media and subjected to magnetic field are of recent interest. This paper develops an analytical approach to study the radial breathing-mode frequency of elastically confined spherical nanoparticles subjected to magnetic field. Based on Maxwell's equations, the nonlocal differential equation of radial motion is derived in terms of radial displacement and Lorentz's force. Bessel functions are used to obtain a frequency equation. The model is justified by a good agreement between the results given by the present model and available experimental and atomic simulation data. Furthermore, the model is used to elucidate the effect of nanoparticle size, the magnetic field and the stiffness of the elastic medium on the radial breathing-mode frequencies of several nanoparticles. Our results reveal that the effects of the magnetic field and the elastic medium are significant for nanoparticle with small size.     

Evolution of weak noise and regular waves on dissipative shock fronts described by the Burgers model

The interaction of weak noise and regular signals with a shock wave having a finite width is studied in the framework of the Burgers equation model. The temporal realization of the random process located behind the front approaches it at supersonic speed. In the process of moving to the front, the intensity of noise decreases and the correlation time increases. In the central region of the shock front, noise reveals non-trivial behaviour. For large acoustic Reynolds numbers the average intensity can increase and reach a maximum value at a definite distance. The behaviour of statistical characteristics is studied using linearized Burgers equation with variable coefficients reducible to an autonomous equation. This model allows one to take into account not only the finite width of the front, but the attenuation and diverse character of initial profiles and spectra as well. Analytical solutions of this equation are derived. Interaction of regular signals of complex shape with the front is studied by numerical methods. Some illustrative examples of ongoing processes are given. Among possible applications, the controlling the spectra of signals, in particular, noise suppression by irradiating it with shocks or sawtooth waves can be mentioned.