High velocity impact of metal sphere on thin metallic plate using smooth particle hydrodynamics (SPH) method

The modeling of high velocity impact is an important topic in impact engineering. Due to various constraints, experimental data are extremely limited. Therefore, detailed numerical simulation can be considered as a desirable alternative. However, the physical processes involved in the impact are very sophisticated; hence a practical and complete reproduction of the phenomena involves complicated numerical models. In this paper, we present a smoothed particle hydrodynamics (SPH) method to model two-dimensional impact of metal sphere on thin metallic plate. The simulations are applied to different materials (Aluminum, Lead and Steel); however the target and projectile are formed of similar metals. A wide range of velocities (300, 1000, 2000, and 3100 m/s) are considered in this study. The goal is to study the most sensitive input parameters (impact velocity and plate thickness) on the longitudinal extension of the projectile, penetration depth and damage crater.     

Comparison of Fenton and sono-Fenton bisphenol A degradation

Degradation of bisphenol A (BPA) was carried out with the Fenton reagent with and without additional sonochemical treatment. The Fenton and the sono-Fenton decomposition of BPA showed that ultrasound irradiation of wastewater improved the wet oxidation process of 25 mg l(-1) BPA solutions. The sonochemical degradation of BPA was monitored using UV absorption and large volume injection packed capillary LC measurements.     

In situ spectral monitoring of mRNA translation in embryonic stem cells during differentiation in vitro

Raman microspectroscopy was used to determine biochemical markers during the differentiation of embryonic murine stem cells (mES) in vitro. Such markers are useful to determine the differentiation status of ES cells cultured on biomaterials. Raman spectra of mES cells as undifferentiated, spontaneously differentiated (4 days), and differentiated cells via formation of embryoid bodies (16, 20 days) were analyzed. Unsupervised hierarchical cluster analysis and principal component analysis were used to determine biochemical differences between mES cells in various states of differentiation. The undifferentiated cells were characterized by high scores of the first principal component (PC1, 49% variance). Similarity between the PC1 loading and the Raman spectrum of RNA indicated a high concentration of RNA in mES cells compared to differentiated cells. The ratio between the peak areas of RNA and proteins was used as a measure of mRNA translation. Using the same peak area ratio, it was possible to differentiate even between mES as undifferentiated and in early stages of differentiation (4 days). These findings were correlated with biological studies reporting high levels of nontranslated mRNA during early embryonic development. Therefore, the RNA translation obtained from the Raman spectra can be used as marker of differentiation state of mES cells.     

Investigation of metallic nanoparticles adsorbed on the QCM sensor by SEM and AFM techniques

Quartz crystal microbalance (QCM) is known as a very sensitive device used for determination of mass quantity adsorbed on sensor surface. Its detection limits are in the range of ng cm\(^{-2}\). The adsorption mechanism of metallic nanoparticles on QCM sensor was investigated by scanning electron microscopy (SEM) and atomic force microscopy (AFM). This study aims to highlight the importance of QCM applications in nanoparticles deposition field. The layers formed through adsorption process, induced by the oscillations of the QCM sensor, were investigated by AFM for surface topography and for particle mean size values. The morphology of layers and nanoparticles dimensions were determined by SEM. For a more complex investigation of the nanoparticles adsorption mechanism, the chemical composition of layers was achieved using SEM coupled with energy dispersive X-ray spectrometer (SEM-EDS). This preliminary research involved a new approach in characterization of metallic nanoparticles layers to achieve functional assembled monolayers.     

Interactions Between Calix[8]arenes and Fullerenes. Molecular Dynamics and Molecular Mechanics Simulation of the 1:1 and 1:2 complexes

Abstract

The interaction of tBu-calix[8]arene with C60 and C70 in the 1:1 and 1:2 models have been investigated by means of molecular dynamics and molecular mechanics (CVFF91 force field) calculations. The results reveal that one C60 molecule can be encapsulated in the cavity of the calixarene which adopts a conformation with six phenyl groups oriented upward and the other two (1 and 5) outward. The relatively weak bonded 1:1 C60-calixarene system is a result of attractive π…H(C-tBu. C-methylene) and repulsive π…π interactions. C70, more voluminous than C60 can not be accommodated in the cavity of the calixarcnc and forces it to a relatively opened conformation where the number of atractive interactions is less than in the C60-calixarene system. This conformation allows however the interaction with a second molecule and thus 1:2 adducts are formed. Thus, if proper substituents are on the calixarene and the fullerene size permite the encapsulation, 1:1 complexes are obtainable while if the fullerene size is larger than the cavity of the calixarene can cope with, only the 1:2 adducts can be separated.

     

Spectral depth profiling of arbitrary surfaces by thermal emission decay-Fourier transform infrared spectroscopy

We report a new spectroscopic technique that combines step-scanning Fourier transform infrared spectroscopy with opto-thermal transient emission radiometry (OTTER) in order to provide near-surface depth-resolved spectra in the range 700-1800 cm(-1). It works nondestructively, without contact, with samples of arbitrary shape and size, without requiring prior preparation. The depth of surface probed depends on the thermal diffusivity of the sample; for organic materials it is approximately 10 microm. With homogeneous samples, absolute absorption coefficients can be measured. With two-layered samples, the technique proved able to distinguish between the spectral properties of the top layer and the substrate and to estimate the thickness of the top layer. We present a theoretical analysis with the main design features of the instrumentation and software, together with studies of homogeneous and layered samples, to validate the methods and illustrate the potential of the technique for practical applications.     

Analytical characterization of the electrospray ion source in the nanoflow regime

A detailed characterization of a conventional low-flow electrospray ionization (ESI) source for mass spectrometry (MS) using solution compositions typical of reversed-phase liquid chromatography is reported. Contrary to conventional wisdom, the pulsating regime consistently provided better ESI-MS performance than the cone-jet regime for the interface and experimental conditions studied. This observation is supported by additional measurements showing that a conventional heated capillary interface affords more efficient sampling and transmission for the charged aerosol generated by a pulsating electrospray. The pulsating electrospray provided relatively constant MS signal intensities over a wide range of voltages, while the signal decreased slightly with increasing voltage for the cone-jet electrospray. The MS signal also decreased with increasing emitter-interface distance for both pulsating and cone-jet electrosprays due to the expansion of the charged aerosol plume. At flow rates below 100 nL/min, the MS signal increased with increasing flow rate due to increased number of gas-phase ions produced. At flow rates greater than 100 nL/min, the signal reached a plateau due to decreasing ionization efficiency at larger flow rates. These results suggest approaches for improving MS interface performance for low-flow (nano- to micro-) electrosprays.