Numerical Investigation of Optimal Pin Actuator Location on a Supersonic Projectile

The flowfield around a supersonic projectile using a pin actuator control method has been predicted using computational fluid dynamics. It has been predicted using both viscous and inviscid methods for a number of positions. Both methods showed that an optimal longitudinal position exists. However, the inviscid model over-predicted the lateral acceleration due to the difference in shock formation around the pin between the two approaches. The optimal location was predicted independent of solver, however the higher-fidelity solver predicted lower achievable lateral accelerations. This is due to the viscous interactions caused by the pin. The effect of projectile orientation has shown that shielding the pin leads to reduced effectiveness due to the wake of the fin enveloping the pin. When the pin is exposed to onset flow, the forces achieved are increased. There is also an increase in the achievable forces and moments with increasing Mach number.

Computational Investigation of Inlet Distortion at High Angles of Attack

Lip separation is one of the primary sources of inlet distortion, which can result in a loss in fan stability. High angles of incidence are one of several critical causes of lip separation. There have been many studies into inlet performance at high incidence, including the resulting distortion levels when lip separation occurs. However, the vast majority of these investigations have been carried out experimentally, with little in the way of computational results for inlet performance at high incidence. The flow topology within an inlet when lip separation has occurred is also not well understood. This work aims to demonstrate a suitable model for the prediction of inlet flows at high incidence using ANSYS CFX, looking at both the performance of the inlet and the separated flow topology within the inlet. The attenuating effect of the fan is also investigated, with particular emphasis on the flow redistribution ahead of the fan. The results show that the model used is suitable for predicting inlet performance in adverse operating conditions, showing good agreement with experimental results. In addition, the attenuation of the distortion by the fan is also captured by the numerical model.

Modelling of the sodium complex of a calixarene tetraester in the 1,3-alternate conformation

This paper describes the use of molecular mechanics to model the geometry of the sodium complex of a calix[4] arene tetraester, in the 1,3-alternate conformation 1. Partial charges were assigned to the calixarene on the basis of semi-empirical (AM1, PM3, MNDO, INDO, CNDO and ZINDO) calculations and the binding of the sodium ion to the calixarene was modelled using molecular mechanics. Agreement between the optimised and X-ray structures of the complex was very good. The effect of placing the cation in different starting positions on the energy-minimised geometry of the complex is described.

Molecular modeling of calixarenes with group I metal ions

Molecular mechanics calculations have been used to model the geometries of the complexes of Group I metal ions with calix[n]arenes (n = 4,5). A simple procedure in which the calixarene atoms are assigned partial charges on the basis of AM1 calculations and the metal ions are allowed to bind electrostatically to the calixarenes produces surprising good results when the resulting structures are compared to known crystallographic data on the complexes. Encapsulated solvent molecules and/or counterions can be included in the calculations and, indeed, are necessary to reproduce the X-ray data.

Identification of a methylation hotspot in the death receptor Fas/CD95 in bladder cancer

We characterized Fas immunoreactivity, functionality and its role in the response to mitomycin-C (MMC) chemotherapy in vitro in cell lines and in vivo in bladder washings from 23 transitional cell carcinoma of the bladder (TCCB) patients, harvested prior to and during MMC intravesical treatment. Having established the importance of functional Fas, we investigated the methylation and exon 9 mutation as mechanisms of Fas silencing in TCCB. For the first time, we report p53 up-regulation in 9/14 and Fas up-regulation in 7/9 TCCB patients during intravesical MMC treatment. Fas immunoreactivity was strong in the TCCB cell line T24 and in 17/20 (85%) tumor samples from patients with advanced TCCB. T24 and HT1376 cells were resistant to MMC and recombinant Fas ligand, whilst RT4 cells were responsive to Fas ligand and MMC. Using RT4 cells as a model, siRNA targeting p53 significantly reduced MMC-induced p53 and Fas up-regulation and stable DN-FADD transfection decreased MMC-induced apoptosis, suggesting that functional Fas enhances chemotherapy responses in a p53-dependent manner. In HT1376 cells, 5-aza-2-deoxycytidine (12 µM) induced Fas immunoreactivity and reversed methylation at CpG site -548 within the Fas promoter. This site was methylated in 13/24 (54%) TCCB patient samples assessed using Methylation-Specific Polymerase Chain Reaction. There was no methylation at either the p53 enhancer region within the first intron or at the SP-1 binding region in the promoter and no mutation within exon 9 in tumor DNA extracted from 38 patients. Methylation at CpG site -548 is a potential target for demethylating drugs.