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Now showing items 5380-5399 of 47805
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Computation Of Normal Depth In Open Channels
( Qatar University , 1998 , Article)Fixed-point iteration is an efficient technique for manual and machine calculation of normal depth. The method is applied to the solution of Manning's equation for two basic uniform flow problems in trapezoidal and circular ... -
Computation of Power Extraction from Photovoltaic Arrays under Various Fault Conditions
( Institute of Electrical and Electronics Engineers Inc. , 2020 , Article)Photovoltaic (PV) faults such as partial shading, bypass-diode defects, degradation of PV modules, and wiring issues greatly affect the power output and cause various peaks in P-V curves of a PV system. Although, commonly ... -
Computation of Yvon-Villarceau circles on Dupin cyclides and construction of circular edge right triangles on tori and Dupin cyclides
( Elsevier Ltd , 2014 , Article)Ring Dupin cyclides are non-spherical algebraic surfaces of degree four that can be defined as the image by inversion of a ring torus. They are interesting in geometric modeling because: (1) they have several families of ... -
Computational Analysis for Bioconvection of Microorganisms in Prandtl Nanofluid Darcy-Forchheimer Flow across an Inclined Sheet
( MDPI , 2022 , Article)The two-dimensional boundary layer flow of a Prandtl nanofluid was explored in the presence of an aligned magnetic field over an inclined stretching/shrinking sheet in a non-Darcy permeable medium. To transform the PDEs ... -
Computational analysis for non-invasive detection of stenosis in peripheral arteries.
( Elsevier , 2019 , Article)Atherosclerosis usually affects the entire cardiovascular system, including peripheral blood vessels. Peripheral arterial stenosis may indicate possible serious vascular disorders related to more vital organs. If peripheral ... -
Computational Analysis of Wall Shear Stress Patterns on Calcified and Bicuspid Aortic Valves : Focus on Radial and Coaptation Patterns
( MDPI , 2021 , Article)Calcification and bicuspid valve formation are important aortic valve disorders that disturb the hemodynamics and the valve function. The detailed analysis of aortic valve hemodynamics would lead to a better understanding ... -
Computational Analysis Reveals Distinctive Interaction of miRNAs with Target Genes in the Pathogenesis of Chronic Kidney Disease
( MDPI , 2023 , Article)The regulation of genes is crucial for maintaining a healthy intracellular environment, and any dysregulation of gene expression leads to several pathological complications. It is known that many diseases, including kidney ... -
Computational and modeling approaches to understand the impact of the Fabry's disease causing mutation (D92Y) on the interaction with pharmacological chaperone 1-deoxygalactonojirimycin (DGJ).
( Elsevier , 2019 , Book chapter)Fabry's disease (FD) is the second most commonly occurring lysosomal storage disorders (LSDs). The mutations in α-galactosidase A (GLA) protein were widely found to be causative for the Fabry's disease. These mutations ... -
A computational approach for investigating the mutational landscape of RAC-alpha serine/threonine-protein kinase (AKT1) and screening inhibitors against the oncogenic E17K mutation causing breast cancer.
( Elsevier , 2019 , Article)Breast cancer (BC) is the most commonly diagnosed cancer among females worldwide, and among the BC-associated mutations in various proteins, mutations in the RAC-alpha serine/threonine-protein kinase (AKT1) remain the most ... -
Computational approach to unravel the impact of missense mutations of proteins (D2HGDH and IDH2) causing D-2-hydroxyglutaric aciduria 2.
( Springer US , 2018 , Article)The 2-hydroxyglutaric aciduria (2-HGA) is a rare neurometabolic disorder that leads to the development of brain damage. It is classified into three categories: D-2-HGA, L-2-HGA, and combined D,L-2-HGA. The D-2-HGA includes ... -
Computational Calculation of Midpoint Potential of Quinones in the A1 Binding Site of the Photosystem I
( Hamad bin Khalifa University Press (HBKU Press) , 2016 , Conference Paper)Quinones are oxidants; colorants; electrophiles and involved in the electron transfer process of important biological functions such as photosynthesis, respiration, phosphorylation etc. In earth, photosynthesis is the main ... -
Computational characterization of nitrogen-doped carbon nanotube functionalized by Fe adatom and Fe substituent for oxygen reduction reaction
( Elsevier B.V. , 2019 , Article)Herein we investigated how Fe-coordinated, N-doped carbon nanotubes (CNT) enhance oxygen reduction reaction (ORR) activity by comparatively studying CNT with different pyridinic and graphitic nitrogen ratios, “Fe-CNT-PA” ... -
Computational density functional theory study on the selective conversion of CO2 to formate on homogeneously and heterogeneously mixed CuFeO2 and CuO surfaces
( Elsevier B.V. , 2019 , Article)This study examines the reaction pathways for the selective conversion of CO2 to formate on the surface of mixed CuFeO2 and CuO (CFO) by employing density functional theory (DFT) calculation of the reaction energy and ... -
Computational exploration of the effect of molecular medium on the tautomerization of azo prodrug of 5-aminosalicylic acid
( Elsevier Inc. , 2019 , Article)The characterization of potential tautomerization of pharmaceutical materials has significant importance. Sulfasalazine (SSZ) is a prodrug that bears 5-aminosalicylic acid and pyridylamino-sulfonyl-phenyl moieties bridged ... -
Computational fluid dynamics simulation of an Inert Particles Spouted Bed Reactor (IPSBR) system
( De Gruyter Open Ltd , 2020 , Article)A novel system for contacting gases and liquids, suitable for many applications involving gas-liquid contact such as CO2 capture and brine desalination, has been simulated and experimentally validated. The system comprises ... -
Computational insights into the photocyclization of diclofenac in solution: Effects of halogen and hydrogen bonding
( Royal Society of Chemistry , 2016 , Article)The effects of noncovalent interactions, namely halogen and hydrogen bonding, on the photochemical conversion of the photosensitizing drug diclofenac (DCF) in solution were investigated computationally. Both explicit and ... -
Computational insights of K1444N substitution in GAP-related domain of NF1 gene associated with neurofibromatosis type 1 disease: a molecular modeling and dynamics approach
( Springer New York LLC , 2018 , Article)The NF1 gene encodes for neurofibromin protein, which is ubiquitously expressed, but most highly in the central nervous system. Non-synonymous SNPs (nsSNPs) in the NF1 gene were found to be associated with Neurofibromatosis ... -
Computational Insights on the Electrocatalytic Behavior of [Cp*Rh] Molecular Catalysts Immobilized on Graphene for Heterogeneous Hydrogen Evolution Reaction
( Springer Nature , 2020 , Article)The heterogeneous metal-based molecular electrocatalyst can typically exhibit attractive features compared to its homogeneous analogue including recoverability and durability. As such, it is necessary to evaluate the ... -
Computational investigation of mechanistic insights of Aβ42 interactions against extracellular domain of nAChRα7 in Alzheimer's disease
( Taylor and Francis Ltd , 2019 , Article)Aim: Amyloid beta (Aβ) 1-42, which is a basic constituent of amyloid plaques, binds with extracellular transmembrane receptor nicotine acetylcholine receptor α7 (nAChRα7) in Alzheimer’s disease. Materials and Methods: ... -
Computational Investigation of the Effect of Wall Thickness on Rupture Risk in Abdominal Aortic Aneurysms
( JAFM , 2020 , Article)Cardiovascular disorders are among the most important causes of sudden death and adult disability worldwide. Abdominal aortic aneurysm (AAA) is a critical clinical condition where the aorta dilates beyond 50% of its normal ...