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An empirical mesh adaption algorithm is introduced for modeling one-dimensional reaction-diffusion systems with large moving gradients. Our new algorithm is based on the revelation, that in reaction-diffusion systems the high moving concentration gradients appear nearby to the region where the rate of reaction is maximal, thus the local reaction rate can be used to control the mesh adaption. We found, that the main advantage of such a method is its simplicity and easy implementation. As an example we study an acid-base diode, where large moving gradients appear. The mathematical model of the diode contains several parabolic PDEs, coupled with one elliptic PDE. An r-refinement technique is used and attached to the commercial finite element solver COMSOL. We investigated the time-dependent salt effects of the diode with our developed algorithm. Our mesh adaption method is advantageous for modeling of any reaction-diffusion systems with localized high concentration gradients.In this contribution, an open-source computational toolbox composed of FEniCS and complementary packages is introduced to the chemical and process engineering field by addressing two case studies. First, the oxidation of o-xylene to phthalic anhydride is modelled and used as a FEniCS' proof-of-concept based on a comparison with the software Aspen Custom Modeler (ACM). The results show a maximum absolute error of 2% and thus a good FEniCS/ACM agreement. Second, synthetic natural gas (SNG) production through CO2 methanation is covered in further detail. In this instance, a parametric study is performed for a tube bundle fixed-bed reactor employing a two-dimensional and transient pseudo-homogeneous model. An operating window for critical variables is evaluated, discussed, and successfully contrasted with the literature. Therefore, the computational toolbox methodology and the consistency of the results are validated, strengthening FEniCS and complements as an interesting alternative to solve mathematical models concerning chemical reaction engineering.

Obstructive sleep apnea (OSA) is associated with anatomical restrictions of pharyngeal airway, but the mechanism of airflow dynamics in OSA is largely unknown. This study utilized computational flow dynamics (CFD) to build a 3D model of the pharynx and to test the hypothesis that an increased restriction in the pharynx in OSA/obese minipigs leads to higher resistance, which in turn creates turbulence to induce temporary blockage of pharyngeal airway patency.

Of five 9-11-months-old Yucatan minipigs, 3 were non-obese (BMI<35) and two obese (BMI>51). After natural sleep monitoring using BioRadio system, pigs were sedated to collect MRI images and airflow parameters. The MRI images were processed to create 3D configurations of pharynx. These 3D configurations were meshed to create finite element models (FEM) of CFD. The obtained airflow parameters were input into the configurations to identify turbulent airflow and its location.

Heavy snoring and multiple >5s hypopnea/apnea episodes (AHI = 32-35) were identified in both obese minipigs during sleep. Compared to the non-obese/non-OSA controls, obese/OSA minipigs showed much lower respiratory tidal volumes and inspiratory airflow speed. FEM simulation found that turbulence was not present in the pharynx in either model. However, a 25% increase of airflow velocity was observed at the narrowest part of the nasal pharynx in the obese/OSA minipig model.

Despite the narrower pharyngeal airway and the higher velocity of airflow, FEM simulation indicated that turbulence was not produced in the obese/OSA minipigs.

Despite the narrower pharyngeal airway and the higher velocity of airflow, FEM simulation indicated that turbulence was not produced in the obese/OSA minipigs.Foreign body embolization can cause intracranial artery occlusion with ischemic stroke. Reported etiologies include post cerebrovascular interventions, migration of esophageal foreign body and neck trauma. We reported a case with punctured wound at left neck, X-ray and computed tomography revealed a foreign body located in the carotid region. The patient eventually developed stroke symptoms in the next day after operation. Non-contrast brain Computer tomography at that time revealed that porcelain fragment located at the suprasellar area, and infarction of the left anterior basal ganglion. Our patient is the first reported case having an embolic stroke secondary to distal migration of a foreign body from the carotid artery after neck trauma. We call attention to this rare neurologic complication of neck trauma with foreign body retention. https://www.selleckchem.com/products/blu-451.html Appropriate and prompt identification of concurrent vascular injuries with retention of foreign body is strongly advised in neck trauma patients.The present study indicated that the mixed lipid bilayer of dimyristoylphosphatidylcholine (DMPC) and trehalosemonomyristate (TreC14) interacted strongly with the plasma membrane of cancer cells, and not that of normal cells, when the composition of TreC14 was 70%, as revealed by coarse-grained molecular dynamics simulations. These results were consistent with those of previous experimental studies, indicating that DMPC/TreC14 mixed liposomes (DMTreC14) with TreC14 composition at 70% exhibited a strong anti-cancer effect without affecting normal cells. The simulations also revealed that lipids with highly hydrophilic and bulky head groups, such as TreC14, phosphatidylinositol (PI), and phosphatidylserine (PS), showed the tendency to accumulate. This caused both the DMTreC14 and cancer cell membranes to bend into large positive curvatures, resulting in tight contact between them. In contrast, no apparent interaction between the DMTreC14 and normal cell membranes was observed because PI and PS did not exist in the extracellular monolayer of the normal cell membrane.Date palm (P. dactylifera) plays a vital role in ethnomedicinal practices in several parts of the world. There are over 2000 cultivars of date palm that differ in chemical composition and extent of bioactivity. The present study was undertaken to comparatively evaluate the antioxidant potential of three cultivars of date palm (Ajwah, Safawy and Sukkari) from Saudi Arabia and analyze their phenolic constituents in order to draw a rationale for their activity. Antioxidant activities of the date cultivars were evaluated by different quantitative methods including 2,2-diphenyl-1-picrylhydrazyl (DPPH) and hydroxyl radical scavenging assay, total antioxidant capacity, reducing power, total phenolic (TPC), flavonoid (TFC) and tannin content (TTC), while qualitative phenolic composition was determined using ultra performance liquid chromatography coupled to quadropole time of flight mass spectrometry (UPLC-QTOF-MS). All the three date extracts showed good DPPH radical scavenging (IC50 103-177 μg/mL) and hydroxyl radical scavenging (IC50 1.

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