CFD–DEM simulations of wet particles fluidization with a new evolution model for liquid bridge

A new model for liquid-bridge evolution with consideration of particle dynamics, is proposed to improve Computational Fluid Dynamics-Discrete Element Method (CFD–DEM) simulations of wet particles fluidization under high liquid loading and viscosity. A liquid bridge is allowed to form and remains stable only when the normal relative velocity of two particles is lower than a critical value v _nc. A large v _nc leads to an increase of liquid-bridge or cohesive force. The model can be reduced to the conventional liquid-bridge model in literature when v _nc = 0 or ∞. With the new model, the prediction of bubble properties including bubble center, aspect ratio, and volume agrees well with the experimental data in literature. In particular, under high liquid loading, bubble disintegration due to particle agglomerating is reasonably captured. The simulations demonstrate the advantage of the new model that can extend the liquid-bridge models and CFD–DEM for high liquid loading and viscosity.     

Discovery of Inhibitors of Trypanosoma brucei by Phenotypic Screening of a Focused Protein Kinase Library

A screen of a focused kinase inhibitor library against Trypanosoma brucei rhodesiense led to the identification of seven series, totaling 121 compounds, which showed >50 % inhibition at 5 μm . Screening of these hits in a T. b. brucei proliferation assay highlighted three compounds with a 1H‐imidazo[4,5‐b]pyrazin‐2(3H)‐one scaffold that showed sub‐micromolar activity and excellent selectivity against the MRC5 cell line. Subsequent rounds of optimisation led to the identification of compounds that exhibited good in vitro drug metabolism and pharmacokinetics (DMPK) properties, although in general this series suffered from poor solubility. A scaffold‐hopping exercise led to the identification of a 1H‐pyrazolo[3,4‐b]pyridine scaffold, which retained potency. A number of examples were assessed in a T. b. brucei growth assay, which could differentiate static and cidal action. Compounds from the 1H‐imidazo[4,5‐b]pyrazin‐2(3H)‐one series were found to be either static or growth‐slowing and not cidal. Compounds with the 1H‐pyrazolo[3,4‐b]pyridine scaffold were found to be cidal and showed an unusual biphasic nature in this assay, suggesting they act by at least two mechanisms.     

Performance analysis of a new real-time elastographic time constant estimator

New elastographic techniques such as poroelastography and viscoelasticity imaging aim at imaging the temporal mechanical behavior of tissues. These techniques usually involve the use of curve fitting methods being applied to noisy data to estimate new elastographic parameters. As of today, however, current elastographic implementations of poroelastography and viscoelasticity imaging methods are in general too slow and not optimized for clinical applications. Furthermore, image quality performance of these new elastographic techniques is still largely unknown due to a paucity of data and the lack of systematic studies that analyze their performance limitations. In this paper, we propose a new elastographic time constant (TC) estimator, which is based on the use of the least square error (LSE) curve-fitting method and the Levenberg-Marquardt (LM) optimization rule as applied to noisy elastographic data obtained from a material in a creep-type experiment. The algorithm is executed on a massively parallel general purpose graphics processing unit (GPGPU) to achieve real-time performance. The estimator's performance is analyzed using simulations. Experimental results obtained from poroelastic phantoms are presented as a proof of principle of the new estimator's technical applicability on real experimental data. The results of this study demonstrate that the newly proposed elastographic estimator can produce highly accurate and sensitive elastographic TC estimates in real-time and at high signal-to-noise ratios.     

Effect of growth factors and lactogenic hormones on expression of plasminogen activator-related genes and cell proliferation in a bovine mammary epithelial cell line

There is conflicting evidence in the literature as to whether up-regulation of urokinase plasminogen activator (u-PA) expression is related to bovine mammary epithelial cell growth. The role of u-PA receptor (u-PAR) and that of the plasminogen activator inhibitors type 1 and type 2 (PAI-1 and PAI-2) in bovine mammary epithelial cell proliferation is not known. The effect of growth factors and various hormones known to affect mammary function on expression of u-PA, u-PAR, PAI-1, PAI-2 and cell proliferation using the BME-UV1 bovine mammary epithelial cell line was examined. Cell proliferation was measured using the MTT assay and direct cell enumeration. Results showed that both IGF-1 and EGF increased cell proliferation but EGF was a more potent mitogen than IGF-1. Furthermore, IGF-1 increased by 2-fold expression of both u-PA and u-PAR while EGF increased by 3·8-fold the expression of only u-PAR. Both growth factors had no effect on expression of PAI-1 and PAI-2. In a manner consistent with changes in gene expression, EGF and to a lesser extent IGF-1 up-regulated total cell associated, membrane-bound and secreted u-PA activity. Thus, a strong correlation exists between u-PAR gene expression along with the activity of u-PA present on cell membranes and cell proliferation. Dexamethasone, prolactin and surprisingly insulin had no effect on cell proliferation. Dexamethasone alone and when combined with insulin or prolactin up-regulated gene expression of both PAI- and PAI-2 but not that of u-PA and u-PAR. Decreased total cell-associated, membrane-bound and secreted u-PA activity was detected in cells cultured in the presence of dexamethasone when combined with insulin or prolactin. However no such effect was observed in the presence of dexamethasone alone. Thus, dexamethasone acting synergistically with prolactin or insulin inhibits the activation of the plasmin-plasminogen system but this inhibition is not correlated with any changes in cell proliferation.     

Dynamically modulating the surface plasmon resonance of doped semiconductor nanocrystals

Localized surface plasmon absorption features arise at high doping levels in semiconductor nanocrystals, appearing in the near-infrared range. Here we show that the surface plasmons of tin-doped indium oxide nanocrystal films can be dynamically and reversibly tuned by postsynthetic electrochemical modulation of the electron concentration. Without ion intercalation and the associated material degradation, we induce a > 1200 nm shift in the plasmon wavelength and a factor of nearly three change in the carrier density.     

BiFeO3 films doped in the A or B sites: effects on the structural and morphological properties

Metal-Organic Chemical Vapor Deposition (MOCVD) has been applied to the fabrication of BiFeO3 films undoped and doped with Ba or Ti on SrTiO3 (100) and YSZ (100) substrates. The films have been deposited using a multi-metal source, consisting of the Bi(phenyl)3, Fe(tmhd)3 and Ba(hfa)2 tetraglyme or Ti(tmhd)2(O-iPr)2 (phenyl = -C6H5, H-tmhd = 2,2,6,6-tetramethyl-3,5-heptandione; O-iPr = iso-propoxide; H-hfa = 1,1,1,5,5,5-hexafluoro-2,4-pentanedione; tetraglyme = CH3O(CH2CH2O)4CH3) precursor mixture. The structural and morphological characterization of films has been carried out using X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM). Chemical compositional studies have been performed by energy dispersive X-ray (EDX) analysis. Structural and morphological characterizations point to the formation of homogeneous and flat surfaces for both undoped and doped BiFeO3 films.     

Interface Functionalities in Multilayer Stack Organic Light Emitting Transistors (OLETs)

Herein is described a multidisciplinary approach to understand the performance limitations of small molecule organic light emitting transistors (OLETs) based on a layered architecture, an innovative architecture potentially competitive with the state of the art and more flexible for spectral emission control. The processes of charge injection and field‐effect transport at metal/organic and organic/organic interfaces are analysed using microscopic and spectroscopic techniques in coordination. Atomic force microscopy and ultrasonic force microscopy are employed to characterize the interface morphology and the initial growth stages of organic films where charge transport actually occurs. X‐ray diffraction and near edge X‐ray dichroic absorption with linearly polarised light allow to determine the unit cell packing and the molecular orientation at the active organic interfaces, as well as the amount of non‐ordered domains. Moreover, chemical reactivity at the interfaces is measured by X‐ray photoelectron spectroscopy. It is found that a strong reaction occurs at the metal‐organic interfaces, with molecular fragmentation. Additionally, the transport properties strongly depend on the nature of the materials forming the organic stack. Specifically, amorphous conjugated films as bottom layers can promote an increased molecular disorder in the upper active layer, with a concomitant deterioration of the conduction properties.     

Method for rapid high-frequency seismogram calculation

We present a method for rapid, high-frequency seismogram calculation that makes use of an algorithm to automatically generate an exhaustive set of seismic phases with an appreciable amplitude on the seismogram. The method uses a hierarchical order of ray and seismic-phase generation, taking into account some existing constraints for ray paths and some physical constraints. To compute synthetic seismograms, the COMRAD code (from the Italian: “COdice Multifase per il RAy-tracing Dinamico”) uses as core a dynamic ray-tracing code. To validate the code, we have computed in a layered medium synthetic seismograms using both COMRAD and a code that computes the complete wave field by the discrete wave number method. The seismograms are compared according to a time–frequency misfit criteria based on the continuous wavelet transform of the signals. Although the number of phases is considerably reduced by the selection criteria, the results show that the loss in amplitude on the whole seismogram is negligible. Moreover, the time for the computing of the synthetics using the COMRAD code (truncating the ray series at the 10th generation) is 3–4-fold less than that needed for the AXITRA code (up to a frequency of 25 Hz).     

Does subarachnoid blood extravasation per se induce long-term neuropsychological and cognitive alterations?

Although recent advances in medical and management strategies have reduced the mortality and morbidity rates related to subarachnoid haemorrhage (SAH), patients who survive a SAH may remain nevertheless affected by persistent cognitive and neuropsychological disturbances. The presence of these deficits has been attributed to the neurotoxic effects of the widespread subarachnoid blood. To assess the long-term neuropsychological and cognitive outcome related to subarachnoid blood extravasation per se we evaluated 20 patients affected by an unknown origin subarachnoid haemorrhage, and having SAH characteristics generally considered predictive of a favourable outcome. Patients were enrolled after a one-year interval from the initial insult, and were selected accordingly to a pre-designed protocol. We employed a complete battery of tests, assessing general cognitive and language functions, memory and construction ability, attention and vigilance, anxiety and depression. The results were compared with normal reference values and with performances of a socio-demographically homogenous sample of control volunteers. This study did not evidence any significant long-term cognitive and neuropsychological alteration after subarachnoid blood extravasation. These results indicate that the presence of subarachnoid blood initiate a number of secondary mechanisms of pathology.