In silico cytotoxicity estimation of ionic liquids based on their two- and three-dimensional structural descriptors

Abstract  

The cytotoxicity of a series of ionic liquids containing ammonium, pyrrolidinium, imidazolium, pyridinium, and piperidinium cations against leukemia rat cell line IPC-81 was estimated from their structural parameters using quantitative structure–activity relationship methodology. Linear and nonlinear models were developed using genetic algorithm multiple linear regression and multilayer perceptron neural network approaches. Robustness and reliability of the constructed models were evaluated by internal, external, and Y-randomization procedures. Furthermore, the chemical applicability domain was determined via a leverage approach for each model. The results of this study revealed that the contribution of structural characteristics of the anionic parts of the studied ILs were fewer than of the cationic parts.     

Multiaxial cyclic deformation and non-proportional hardening employing discriminating load paths

Some novel discriminating multiaxial cyclic strain paths with incremental and random sequences were used to investigate cyclic deformation behavior of materials with low and high sensitivity to non-proportional loadings. Tubular specimens made of 1050 QT steel with no non-proportional hardening and 304L stainless steel with significant non-proportional hardening were used. 1050 QT steel was found to exhibit very similar behavior under various multiaxial loading paths, whereas significant effects of loading sequence were observed for 304L stainless steel. In-phase cycles with a random sequence of axial-torsion cycles on an equivalent strain circle were found to cause cyclic hardening levels similar to 90° out-of-phase loading of 304L stainless steel. In contrast, straining with a small increment of axial-torsion on an equivalent strain circle results in higher stress than for in-phase loading of 304L stainless steel, but the level of hardening is lower than for 90° out-of-phase loading. Tanaka’s non-proportionality parameter coupled with a Armstrong–Fredrick incremental plasticity model, and Kanazawa et al.’s empirical formulation as a representative of such empirical models were used to predict the stabilized stress response of the two materials under variable amplitude axial-torsion strain paths. Consistent results between experimental observations and predictions were obtained by employing the Tanaka’s non-proportionality parameter. In contrast, the empirical model resulted in significant over-prediction of stresses for 304L stainless steel.     

Noncontact modal analysis of a pipe organ reed using airborne ultrasound stimulated vibrometry

The goal of this study was to excite and measure, in a noncontact manner, the vibrational modes of the reed from a reed organ pipe. To perform ultrasound stimulated excitation, the audio-range difference frequency between a pair of ultrasound beams produced a radiation force that induced vibrations. The resulting vibrational deflection shapes were measured with a scanning laser vibrometer. The resonances of any relatively small object can be studied in air using this technique. For a 36 mm x 6 mm brass reed, displacements and velocities in excess of 5 microm and 4 mm/s could be imparted at the fundamental frequency of 145 Hz. Using the same ultrasound transducer, excitation across the entire range of audio frequencies was obtained. Since the beam was focused on the reed, ultrasound stimulated excitation eliminated background effects observed during mechanical shaker excitation, such as vibrations of clamps and supports. The results obtained using single, dual and confocal ultrasound transducers in AM and two-beam modes, along with results obtained using a mechanical shaker and audio excitation using a speaker are discussed.     

Electrosynthesis and characterization of poly aniline/garnet nanoparticles for high-performance electrochemical capacitors

In this work, supercapacitive performance of polyaniline/yttrium aluminum garnet (YAG: Y₃Al₅O₁₂) nanoparticles (PANI/YAGNPs) was studied. YAG nanoparticles were synthesized by pulse electro-deposition method and after that, PANI/YAGNPs electrodeposited on the surface of glassy carbon electrodes through cyclic voltammetry. Morphological studies show that YAG nanoparticles were distributed in the structure of PANI filaments uniformly. XRD and FTIR were used to perform a structural study of materials. Different electrochemical techniques such as cyclic voltammetry (CV), galvano static charge discharge (CD), and impedance spectroscopy (EIS) were used to evaluate the applicability of using PANI/YAGNPs as an active material for supercapacitors. The specific capacitance (SC) of PANI and PANI YAG NPs electrodes calculated using CV technique are 240 and 440 F/g, respectively. Increasing the conductivity and stability of composite electrodes during continuous CD cycles compared to PANI ones are some features of using YAG NPs in the structure of polymer electrodes. Stability of composite electrodes remains about 98% through 1000 continuous cycles whereas the polymeric electrode loses about 91% of its capacitance during this time range.     

Comparison of continuous-wave (CW) and tone-burst (TB) excitation modes in vibro-acoustography: Application for the non-destructive imaging of flaws

This paper describes the application of continuous-wave (CW) and tone-burst (TB) vibro-acoustography (VA) experiments for imaging a flawed composite plate. For both modes, the ultrasound frequency is set at f₁ = 3 MHz and f₂ = 3 MHz + ∣Δf∣. The plate was placed at the focus of the transducer and scanned point-by-point over an area of 60 mm by 50 mm on its frontal face with an increment step equal to 0.25 mm/pixel. The resulting acoustic emission amplitude at ∣Δ f∣ is recorded. For the CW mode the difference frequency was set at ∣Δf∣ = 12.9 kHz. For the TB mode, the burst-emitted signal was 100 μs long at a pulse repetition frequency (PRF) of 100 Hz corresponding to bursts of 300 cycles at 3 MHz, and the difference frequency was set at ∣Δf∣ = 44 kHz. The resulting VA images readily show the shape of the flaws. The images also reveal considerable detail of internal substructures such as the fibers used to reinforce the plate. However, the CW VA image shows an artifact caused by the effect of ultrasound standing waves established between the plate and the concave surface of the transducer, resulting in masking some of the flaws. On the other hand, the TB-VA image is free from such artifact. Despite some advantages of using TB-VA, there are some limitations related to this mode. Advantages and limitations of using the two modes are discussed.     

Continuous-wave ultrasound reflectometry for surface roughness imaging applications

Background

Measurement of surface roughness irregularities that result from various sources such as manufacturing processes, surface damage, and corrosion, is an important indicator of product quality for many nondestructive testing (NDT) industries. Many techniques exist, however because of their qualitative, time-consuming and direct-contact modes, it is of some importance to work out new experimental methods and efficient tools for quantitative estimation of surface roughness.

Objective and method

Here we present continuous-wave ultrasound reflectometry (CWUR) as a novel nondestructive modality for imaging and measuring surface roughness in a non-contact mode. In CWUR, voltage variations due to phase shifts in the reflected ultrasound waves are recorded and processed to form an image of surface roughness.

Results

An acrylic test block with surface irregularities ranging from 4.22 μm to 19.05 μm as measured by a coordinate measuring machine (CMM), is scanned by an ultrasound transducer having a diameter of 45 mm, a focal distance of 70 mm, and a central frequency of 3 MHz. It is shown that CWUR technique gives very good agreement with the results obtained through CMM inasmuch as the maximum average percent error is around 11.5%.

Conclusion

Images obtained here demonstrate that CWUR may be used as a powerful non-contact and quantitative tool for nondestructive inspection and imaging of surface irregularities at the micron-size level with an average error of less than 11.5%.     

Investigating the absolute phase information in acoustic wave resonance scattering

The aim of this work is to investigate the absolute phase information in resonance acoustic scattering by spheres and cylinders and place this work in the broader context of scattering in which the properties of the magnitude and (processed) phase have been examined in a more general way than in the classical resonance scattering theory (RST). Here, comparisons are made between the classical and modified RST formalisms of acoustic resonance scattering. Experimental and theoretical backscattering form functions are obtained and discussed. It is shown that the magnitude and processed (unwrapped) phase can be correctly obtained through the classical RST, suggesting that the modified RST formalism offers little new practical advantage. Furthermore, the absolute phase is shown to be very sensitive to object’s resonances, suggesting that the unwrapped phase may be considered as an efficient tool, along with the magnitude information, to carry out remote (active) classification of targets in underwater acoustics applications. The combination of absolute phase information with the magnitude data offers a complementary advantage in the identification of resonances from cylinders and spheres.