89 research outputs found

    An accelerated shape based segmentation approach adopting the pattern search optimizer

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    AbstractAll known solutions of the shape based segmentation problem are slower than real-time application requirements. In this paper, the problem is formulated as a global optimization problem for an energy objective function with several constraints. This formulation allows the use of the global optimization solvers as a solution. However, this solution will be slow as it requires the evaluation of the objective function for several thousand times. The objective function computation is one of the critical factors that affect the time needed to reach a solution. The authors implemented two accelerated parallel versions of the solution that integrates the objective function and the pattern search solver. The first uses a GPU accelerated implementation of the objective function and the second uses a CPU parallel version which is executed on several processors/cores. The results of the proposed solution show that the GPU version has substantial speed compared to other approaches

    Forecasting project schedule performance using probabilistic and deterministic models

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    AbstractEarned value management (EVM) was originally developed for cost management and has not widely been used for forecasting project duration. In addition, EVM based formulas for cost or schedule forecasting are still deterministic and do not provide any information about the range of possible outcomes and the probability of meeting the project objectives. The objective of this paper is to develop three models to forecast the estimated duration at completion. Two of these models are deterministic; earned value (EV) and earned schedule (ES) models. The third model is a probabilistic model and developed based on Kalman filter algorithm and earned schedule management. Hence, the accuracies of the EV, ES and Kalman Filter Forecasting Model (KFFM) through the different project periods will be assessed and compared with the other forecasting methods such as the Critical Path Method (CPM), which makes the time forecast at activity level by revising the actual reporting data for each activity at a certain data date. A case study project is used to validate the results of the three models. Hence, the best model is selected based on the lowest average percentage of error. The results showed that the KFFM developed in this study provides probabilistic prediction bounds of project duration at completion and can be applied through the different project periods with smaller errors than those observed in EV and ES forecasting models

    Molecular insights and inhibitory dynamics of flavonoids in targeting Pim-1 Kinase for cancer therapy

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    Pim-1 kinase, a serine/threonine kinase, is often overexpressed in various cancers, contributing to disease progression and poor prognosis. In this study, we explored the potential of flavonoids as inhibitors of Pim-1 kinase using a combination of molecular docking and steered molecular dynamics (SMD) simulations. Our docking studies revealed two main binding orientations for the flavonoid molecules. The SMD simulations showed that the binding mode with higher pulling forces was linked to stronger inhibitory activity, with a strong positive correlation (R2 ≈ 0.92) between pulling forces and IC50 values. Quercetin stood out as the most potent inhibitor, showing a pulling force of about 820 pN and an IC50 of less than 6 µM. Further dynamic simulations indicated that quercetin’s hydroxyl groups at the C3, C-5 and C-7 positions formed stable hydrogen bonds with key residues GLU-121, Leu-44 and Val-126, respectively enhancing its binding stability and effectiveness. Our results emphasized the critical role of the hydroxyl group at the C-3 position, which plays a pivotal function in effectively anchoring these molecules in the active site of Pim-1 kinase. Principal component analysis (PCA) of Pim-1 kinase's conformational changes revealed that potent inhibitors like quercetin, galangin, and kaempferol significantly restricted the enzyme's flexibility, suggesting potential inhibitory effect. These findings provide insights into the structural interactions between flavonoids and Pim-1 kinase, offering a foundation for future experimental investigations. However, further studies, including in vitro and in vivo validation, are necessary to assess the pharmacological relevance and specificity of flavonoids in cancer therapy

    Low-Complexity Detection of High-Order QAM Faster-than-Nyquist Signaling

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    Faster-than-Nyquist (FTN) signaling is a promising non-orthogonal transmission technique to considerably improve the spectral efficiency. This paper presents the first attempt in the literature to estimate the transmit data symbols of any high-order quadrature amplitude modulation (QAM) FTN signaling in polynomial time complexity. In particular, we propose a generalized approach to model the finite alphabet of any high-order QAM constellation as a high degree polynomial constraint. Then, we formulate the high-order QAM FTN signaling sequence estimation problem as a non-convex optimization problem. As an example of a high-order QAM, we consider 16-QAM FTN signaling and then transform the high degree polynomial constraint, with the help of auxiliary variables, to multiple quadratic constraints. Such transformation allows us to propose a generalized approach semidefinite relaxation (SDR)- based sequence estimation (GASDRSE) technique to efficiently provide a sub-optimal solution to the NP-hard non-convex FTN detection problem, with polynomial time complexity. For the particular case of 16-QAM FTN signaling,

    <i>Garcinia cambogia</i> phenolics as potent anti-COVID-19 agents:phytochemical profiling, biological activities, and molecular docking

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    COVID-19 is a disease caused by the coronavirus SARS-CoV-2 and became a pandemic in a critically short time. Phenolic secondary metabolites attracted much attention from the pharmaceutical industries for their easily accessible natural sources and proven antiviral activity. In our mission, a metabolomics study of the Garcinia cambogia Roxb. fruit rind was performed using LC-HRESIMS to investigate its chemical profile, especially the polar aspects, followed by a detailed phytochemical analysis, which led to the isolation of eight known compounds. Using spectrometric techniques, the isolated compounds were identified as quercetin, amentoflavone, vitexin, rutin, naringin, catechin, p-coumaric, and gallic acids. The antiviral activities of the isolated compounds were investigated using two assays; the 3CL-Mpro enzyme showed that naringin had a potent effect with IC50 16.62 &mu;g/mL, followed by catechin and gallic acid (IC50 26.2, 30.35 &mu;g/mL, respectively), while the direct antiviral inhibition effect of naringin confirmed the potency with an EC50 of 0.0169 &mu;M. To show the molecular interaction, in situ molecular docking was carried out using a COVID-19 protease enzyme. Both biological effects and docking studies showed the hydrophobic interactions with Gln 189 or Glu 166, per the predicated binding pose of the isolated naringin

    Development and evaluation of a self-nanoemulsifying drug delivery system for sinapic acid with improved antiviral efficacy against SARS-CoV-2

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    This study aimed to develop a self-nanoemulsifying drug delivery system (SNE) for sinapic acid (SA) to improve its solubility and antiviral activity. Optimal components for the SA-SNE formulation were selected, including Labrafil as the oil, Cremophor EL as the surfactant, and Transcutol as the co-surfactant. The formulation was optimized using surface response design, and the optimized SA-SNE formulation exhibited a small globule size of 83.6 nm, high solubility up to 127.1 ± 3.3, and a 100% transmittance. In vitro release studies demonstrated rapid and high SA release from the formulation. Pharmacokinetic analysis showed improved bioavailability by 2.43 times, and the optimized SA-SNE formulation exhibited potent antiviral activity against SARS-CoV-2. The developed SA-SNE formulation can enhance SA’s therapeutic efficacy by improving its solubility, bioavailability, and antiviral activity. Further in silico, modeling, and Gaussian accelerated molecular dynamics (GaMD)-based studies revealed that SA could interact with and inhibit the viral main protease (Mpro). This research contributes to developing effective drug delivery systems for poorly soluble drugs like SA, opening new possibilities for their application via nebulization in SARS-CoV-2 therapy
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