Modelling of the diffusion of carbon dioxide in polyimide matrices by computer simulation

Computer aided molecular modelling is used to visualize the motion of CO2 gas molecules inside a polyimide polymer matrix. The polymers simulated are two 6FDA-bases polyimides, 6FDA-4PDA and 6FDA-44ODA. These polymers have also been synthesized in our laboratory, and thus the simulated properties could directly be compared with “real-world” data. The simulation experiments have been performed using the GROMOS1 package. The polymer boxes were created using the soft-core method, with short (11 segments) chains. This results in highly relaxed and totally amorphous polyimide matrices. The motion of randomly placed CO2 molecules in the boxes during molecular dynamics runs was followed, revealing three types of motion: jumping, continuous- and trapped motion. The calculated diffusivities are unrealistic, but possible shortcomings in our model are given

A novel technique for measuring the reflection coefficient of sound absorbing materials

A new method to measure the acoustic behaviour of sound absorbing material in an impedance tube is presented. The method makes use of a novel particle velocity sensor, the microflown, and a microphone. The so-called p·u method is compared to three other methods of which the two microphone technique is well known. It is shown that the combination of a microphone and a microflown provides direct information on the acoustic impedance, the sound intensity and the sound energy density. The experimental results are compared to the results obtained with the conventional impedance tube measurements. To be able to repeat the measurements in a reliable way a well described test sample with a quarter-wave resonator is used. Furthermore it is shown that the viscothermal effects on the wave propagation are important, i.e. for the quarter-wave resonator and to a lesser extent for the impedance tube itself

Proton irradiation induced GaAs solar cell performance degradation simulations using a physics-based model

In this study a recently developed physics-based model to describe the performance degradation of GaAs solar cells upon electron irradiation is applied to analyze the effects of proton irradiation. For this purpose GaAs solar cells with significantly different architectures are subjected to a range of proton irradiation fluences up to 5×1012 H+/cm2. The resulting J−V and EQE characteristics of the cells are measured and compared with the simulations from the model. The model requires individual degradation constants for the SRH lifetimes and the surface recombination velocities as an input. In this study these constants were obtained from the recently determined associated constants for electron irradiation using the particles non-ionizing energy loss (NIEL) values for conversion. The good fit between the simulated and experimentally obtained results demonstrate that this is a valid approach. Moreover, it suggests that the physics based model allows for a good prediction of GaAs cell performance under particle irradiation of any kind independent of the particular cell architecture as long as the layer thicknesses and doping levels are known. In addition the applied proton irradiation levels in this study were not found to induce additional Cu-related degradation in the investigated thin-film cells, indicating that the use of copper foil as a convenient carrier and rear contact does not require reconsideration for thin-film cells intended for space applications

Increased Performance of Thin-film GaAs Solar Cells with Improved Rear Interface Reflectivity

The highest efficiencies in single-junction solar cells are obtained with devices based on GaAs. As this material is reaching the limit in material quality, the optimization of the design of the cell becomes more important. In this study we implement a patterning technique to the bottom contact layer of thin-film GaAs solar cells that increases the reflectance of photons to the active layers. Both shallow junction and deep junction devices were evaluated, and for deep junction cells, both the short circuit current and the open circuit voltage increase with the reflectance. The radiative saturation current density also decreases, indicating increased photon recycling. Detailed model simulations are performed to further evaluate the mechanisms leading to the improved performance of the deep junction design. Based on the same model, the possibilities for further improvements utilizing the deep junction are also identified

Impurity-induced diffusion bias in epitaxial growth

We introduce two models for the action of impurities in epitaxial growth. In the first, the interaction between the diffusing adatoms and the impurities is ``barrier''-like and, in the second, it is ``trap''-like. For the barrier model, we find a symmetry breaking effect that leads to an overall down-hill current. As expected, such a current produces Edwards-Wilkinson scaling. For the trap model, no symmetry breaking occurs and the scaling behavior appears to be of the conserved-KPZ type.Comment: 5 pages(with the 5 figures), latex, revtex3.0, epsf, rotate, multico

Functional Restoration of CFTR Nonsense Mutations in Intestinal Organoids

Background: Pharmacotherapies for people with cystic fibrosis (pwCF) who have premature termination codons (PTCs) in the cystic fibrosis transmembrane conductance regulator (CFTR) gene are under development. Thus far, clinical studies focused on compounds that induce translational readthrough (RT) at the mRNA PTC location. Recent studies using primary airway cells showed that PTC functional restoration can be achieved through combining compounds with multiple mode-of-actions. Here, we assessed induction of CFTR function in PTC-containing intestinal organoids using compounds targeting RT, nonsense mRNA mediated decay (NMD) and CFTR protein modulation. Methods: Rescue of PTC CFTR protein was assessed by forskolin-induced swelling of 12 intestinal organoid cultures carrying distinct PTC mutations. Effects of compounds on mRNA CFTR level was assessed by RT-qPCRs. Results: Whilst response varied between donors, significant rescue of CFTR function was achieved for most donors with the quintuple combination of a commercially available pharmacological equivalent of the RT compound (ELX-02-disulfate or ELX-02ds), NMD inhibitor SMG1i, correctors VX-445 and VX-661 and potentiator VX-770. The quintuple combination of pharmacotherapies reached swelling quantities higher than the mean swelling of three VX-809/VX-770-rescued F508del/F508del organoid cultures, indicating level of rescue is of clinical relevance as VX-770/VX-809-mediated F508del/F508del rescue in organoids correlate with substantial improvement of clinical outcome. Conclusions: Whilst variation in efficacy was observed between genotypes as well as within genotypes, the data suggests that strong pharmacological rescue of PTC requires a combination of drugs that target RT, NMD and protein function

Phase transitions in the antiferromagnetic XY model with a kagome lattice

The ground state of the antiferromagnetic XY model with a kagome lattice is characterized by a well developed accidental degeneracy. As a consequence the phase transition in this system consists in unbinding of pairs of fractional vortices. Addition of the next-to-nearest neighbors (NNN) interaction leads to stabilization of the long-range order in chirality (staggered chirality). We show that the phase transition, related with destruction of this long-range order, can happen as a separate phase transition below the temperature of the fractional vortex pairs unbinding only if the NNN coupling is extremely weak, and find how the temperature of this transition depends on coupling constants. We also demonstarte that the antiferromagnetic ordering of chiralities and, accordingly, the presence of the second phase transition are induced by the free energy of spin wave fluctuations even in absence of the NNN coupling.Comment: 10 pages (Revtex) + 8 figures (in 2 postscript files

Targeting aberrant sialylation and fucosylation in prostate cancer cells using potent metabolic inhibitors

Aberrant glycosylation is a hallmark of cancer and is not just a consequence, but also a driver of a malignant phenotype. In prostate cancer, changes in fucosylated and sialylated glycans are common and this has important implications for tumor progression, metastasis, and immune evasion. Glycans hold huge translational potential and new therapies targeting tumor-associated glycans are currently being tested in clinical trials for several tumor types. Inhibitors targeting fucosylation and sialylation have been developed and show promise for cancer treatment, but translational development is hampered by safety issues related to systemic adverse effects. Recently, potent metabolic inhibitors of sialylation and fucosylation were designed that reach higher effective concentrations within the cell, thereby rendering them useful tools to study sialylation and fucosylation as potential candidates for therapeutic testing. Here, we investigated the effects of global metabolic inhibitors of fucosylation and sialylation in the context of prostate cancer progression. We find that these inhibitors effectively shut down the synthesis of sialylated and fucosylated glycans to remodel the prostate cancer glycome with only minor apparent side effects on other glycan types. Our results demonstrate that treatment with inhibitors targeting fucosylation or sialylation decreases prostate cancer cell growth and downregulates the expression of genes and proteins important in the trajectory of disease progression. We anticipate our findings will lead to the broader use of metabolic inhibitors to explore the role of fucosylated and sialylated glycans in prostate tumor pathology and may pave the way for the development of new therapies for prostate cancer