108 research outputs found

    Elucidating the Role of Electrophoretic Mobility for Increasing Yield in the Electrophoretic Deposition of Nanomaterials

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    Design and Analysis of Slit-cut Stacked Equilateral Triangular Microstrip Patch Antenna

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    In this paper, a novel structure of slit-cut stacked equilateral triangular microstrip antenna (ETMA) has been theoretically studied using cavity model and found in agreement with the stimulated result calculated by high frequency simulator structure (HFSS). The analysis of stacked ETMA and slit-cut ETMA is done. The theoretical and simulated results of stacked ETMA and slit-cut ETMA are presented and compared. The main concentration is to find the different results, i.e. input impedance and return loss of the slit-cut ETMA and slit-cut stacked ETMA.Defence Science Journal, Vol. 65, No. 3, May 2015, pp.240-244, DOI: http://dx.doi.org/10.14429/dsj.65.797

    Trajectory Extending Kinetic Monte Carlo Simulations to Evaluate Pure and Gas Mixture Diffusivities through a Dense Polymeric Membrane

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    With renewed interest in CO2 separations, carbon molecular sieving (CMS) membrane performance evaluation requires diffusion coefficients as inputs to have reliable estimate of the permeability. An optimal material is desired to have both high selectivity and permeability. Gases diffusing through dense, CMS and polymeric membranes experience extended sub-diffusive regimes which hinders reliable extraction of diffusion coefficients from mean squared displacement data. We improve the sampling of the diffusive landscape by implementing the trajectory extending kinetic Monte Carlo (TEKMC) technique to efficiently extend MD trajectories from ns to {\mu}s timescales. The obtained self-diffusion coefficient of pure CO2 in CMS membranes derived from 6FDA/BPDA-DAM precursor polymer melt is found in agreement with previous experimental findings. We also extend the TEKMC algorithm to evaluate the mixture diffusivities in binary mixtures to determine the permselectivity of CO2 in CH4 and N2 mixtures. The mixture diffusion coefficient of CO2 ranges from 1.3-7 x 10^{-6} cm6{2}s^{-1} in binary mixture CO2:CH4 which is significantly higher than the pure gas diffusion coefficient. Robeson plot comparisons show that the permselectivity obtained from pure gas diffusion data are significantly lower than that predicted using mixture diffusivity data. Specifically in the case of the CO2:N2 mixture we find that using mixture diffusivities led to permeslectivites lying above the Robeson limit highlighting the importance of using mixture diffusivity data for an accurate evaluation of the membrane performance. Combined with gas solubilities obtained from grand-canonical Monte Carlo simulations, our work shows that simulations with the TEKMC method can be used to reliably evaluate the performance of materials for gas separations.Comment: Software available on https://github.com/PKMLab/tekmc Accepted on October 25, 2023 in The Journal of Physical Chemistry

    Induced Anticlinic Ordering and Nanophase Segregation of Bow-Shaped Molecules in a Smectic Solvent

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    Recent experiments indicate that doping low concentrations of bent-core molecules into calamitic smectic solvents can induce anticlinic and biaxial smectic phases. We have carried out Monte Carlo (MC) simulations of mixtures of rodlike molecules (hard spherocylinders with length/breadth ratio Lrod/D=5L_{\rm rod}/D = 5) and bow- or banana-shaped molecules (hard spherocylinder dimers with length/breadth ratio Lban/D=5L_{ban}/D = 5 or 2.5 and opening angle ψ\psi) to probe the molecular-scale organization and phase behavior of rod/banana mixtures. We find that a low concentration (3%) of Lban/D=5L_{ban}/D = 5 dimers induces anticlinic (SmCA_A) ordering in an untilted smectic (SmA) phase for 100∘≤ψ<150∘100^\circ \le \psi < 150^\circ. For smaller ψ\psi, half of each bow-shaped molecule is nanophase segregated between smectic layers, and the smectic layers are untilted. For Lban/D=2.5L_{ban}/D = 2.5, no tilted phases are induced. However, with decreasing ψ\psi we observe a sharp transition from {\sl intralamellar} nanophase segregation (bow-shaped molecules segregated within smectic layers) to {\sl interlamellar} nanophase segregation (bow-shaped molecules concentrated between smectic layers) near ψ=130∘\psi = 130^\circ. These results demonstrate that purely entropic effects can lead to surprisingly complex behavior in rod/banana mixtures.Comment: 5 pages Revtex, 7 postscript figure

    COVID-19 alcoholic cirrhosis and non-alcoholic steatohepatitis cirrhosis outcomes among hospitalized patients in the United States: Insight from National Inpatient Sample database

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    Patients with co-morbidities like cirrhosis are at risk of worse outcome from COVID-19 infection. Given limited prior studies, we evaluated outcomes associated with COVID-19 infection in alcoholic and non-alcoholic steatohepatitis cirrhotic (CC+) versus cirrhotic without COVID-19 (CC-). We performed retrospective analysis of 822,604 patients including 28,610 COVID-19 patients from the National Inpatient Sample database with alcoholic and NASH cirrhosis enrolled between 1 January 2020 to 31 December 2020, with univariate and multivariate regression analyses. Primary outcome was mortality and secondary outcomes was mechanical ventilation, vasopressor use, length of stay, hospitalization expense and predictors of mortality. In-hospital mortality was three time higher in the CC+ group compared to those in the CC- group(18.6% vs. 5.96%

    In-situ Optimized Substrate Witness Plates: Ground Truth for Key Processes on the Moon and Other Planets

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    Future exploration efforts of the Moon, Mars and other bodies are poised to focus heavily on persistent and sustainable survey and research efforts, especially given the recent interest in a long-term sustainable human presence at the Moon. Key to these efforts is understanding a number of important processes on the lunar surface for both scientific and operational purposes. We discuss the potential value of in-situ artificial substrate witness plates, powerful tools that can supplement familiar remote sensing and sample acquisition techniques and provide a sustainable way of monitoring processes in key locations on planetary surfaces while maintaining a low environmental footprint. These tools, which we call Biscuits, can use customized materials as wide ranging as zircon-based spray coatings to metals potentially usable for surface structures, to target specific processes/questions as part of a small, passive witness plate that can be flexibly placed with respect to location and total time duration. We examine and discuss unique case studies to show how processes such as water presence/transport, presence and contamination of biologically relevant molecules, solar activity related effects, and other processes can be measured using Biscuits. Biscuits can yield key location sensitive, time integrated measurements on these processes to inform scientific understanding of the Moon and enable operational goals in lunar exploration. While we specifically demonstrate this on a simulated traverse and for selected examples, we stress all groups interested in planetary surfaces should consider these adaptable, low footprint and highly informative tools for future exploration.Comment: Accepted to Earth and Space Science, Will be updated upon publicatio

    Lysine 53 Acetylation of Cytochrome c in Prostate Cancer: Warburg Metabolism and Evasion of Apoptosis

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    Prostate cancer is the second leading cause of cancer-related death in men. Two classic cancer hallmarks are a metabolic switch from oxidative phosphorylation (OxPhos) to glycolysis, known as the Warburg effect, and resistance to cell death. Cytochrome c (Cytc) is at the intersection of both pathways, as it is essential for electron transport in mitochondrial respiration and a trigger of intrinsic apoptosis when released from the mitochondria. However, its functional role in cancer has never been studied. Our data show that Cytc is acetylated on lysine 53 in both androgen hormone-resistant and -sensitive human prostate cancer xenografts. To characterize the functional effects of K53 modification in vitro, K53 was mutated to acetylmimetic glutamine (K53Q), and to arginine (K53R) and isoleucine (K53I) as controls. Cytochrome c oxidase (COX) activity analyzed with purified Cytc variants showed reduced oxygen consumption with acetylmimetic Cytc compared to the non-acetylated Cytc (WT), supporting the Warburg effect. In contrast to WT, K53Q Cytc had significantly lower caspase-3 activity, suggesting that modification of Cytc K53 helps cancer cells evade apoptosis. Cardiolipin peroxidase activity, which is another proapoptotic function of the protein, was lower in acetylmimetic Cytc. Acetylmimetic Cytc also had a higher capacity to scavenge reactive oxygen species (ROS), another pro-survival feature. We discuss our experimental results in light of structural features of K53Q Cytc, which we crystallized at a resolution of 1.31 AÌŠ, together with molecular dynamics simulations. In conclusion, we propose that K53 acetylation of Cytc affects two hallmarks of cancer by regulating respiration and apoptosis in prostate cancer xenografts
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