Unfolding mechanism of PHD2 as a vital protein: all-atom simulation approach

Prolyl hydroxylase domain 2 containing protein (PHD2) is a central protein in regulation of cellular response to hypoxia. This protein controls the responses of cell to oxygen level via the regulation of hypoxia inducible factor (HIF) stability. HIF induces the expression of many genes, especially ones orchestrate angiogenesis. There are some reports that mentioned in some tumor types the level of HIF is high in spite of the presence of wild-type PHD2 and normoxic environment. Therefore, the possibility of PHD2 misfolding in some cancer cells arises. Studying such important protein unfolding pathway is insightful for possible therapeutic approaches. In this study, the unfolding pathway of PHD2 illustrates utilizing molecular dynamics simulation of protein thermal denaturation. Based on current study results, we represent the possible mechanisms of PHD2 unfolding in detail. The possible intermediates of PHD2 thermal unfolding are characterized, and the most venomous state of its unfolding pathway is introduced.     

Kinetic,isotherm, and mechanism investigations of the removal of nitrate and nitrite from water by the synthesized hydrotalcite Mg–Al

Research on Chemical Intermediates - The objective of this work is to test the effectiveness of hydrotalcite as an adsorbent for the retention of nitrate and nitrite ions and to study the influence...     

Energy,Exergy, Exergoeconomic and Emergy-Based Exergoeconomic (Emergoeconomic) Analyses of a Biomass Combustion Waste Heat Recovery Organic Rankine Cycle

In recent decades, there has been an increasing trend toward the technical development of efficient energy system assessment tools owing to the growing energy demand and subsequent greenhouse gas emissions. Accordingly, in this paper, a comprehensive emergy-based exergoeconomic (emergoeconomic) method has been developed to study the biomass combustion waste heat recovery organic Rankine cycle (BCWHR-ORC), taking into account thermodynamics, economics, and sustainability aspects. To this end, the system was formulated in Engineering Equation Solver (EES) software, and then the exergy, exergoeconomic, and emergoeconomic analyses were conducted accordingly. The exergy analysis results revealed that the evaporator unit with 55.05 kilowatts and the turbine with 89.57% had the highest exergy destruction rate and exergy efficiency, respectively. Based on the exergoeconomic analysis, the cost per exergy unit (c), and the cost rate (C˙) of the output power of the system were calculated to be 24.13 USD/GJ and 14.19 USD/h, respectively. Next, by applying the emergoeconomic approach, the monetary emergy content of the system components and the flows were calculated to evaluate the system’s sustainability. Accordingly, the turbine was found to have the highest monetary emergy rate of capital investment, equal to 5.43×1012 sej/h, and an output power monetary emergy of 4.77×104 sej/J. Finally, a sensitivity analysis was performed to investigate the system’s overall performance characteristics from an exergoeconomic perspective, regarding the changes in the transformation coefficients (specific monetary emergy).     

Classification of Curves in 2D and 3D via Affine Integral Signatures

We propose new robust classification algorithms for planar and spatial curves subjected to affine transformations. Our motivation comes from the problems in computer image recognition. To each planar or spatial curve, we assign a planar signature curve. Curves, equivalent under an affine transformation, have the same signature. The signatures are based on integral invariants, which are significantly less sensitive to small perturbations of curves and noise than classically known differential invariants. Affine invariants are derived in terms of Euclidean invariants. We present two types of signatures: the global and the local signature. Both signatures are independent of curve parameterization. The global signature depends on a choice of the initial point and, therefore, cannot be used for local comparison. The local signature, albeit being slightly more sensitive to noise, is independent of the choice of the initial point and can be used to solve local equivalence problem. An experiment that illustrates robustness of the proposed signatures is presented.     

Investigation of MHD effect on nanofluid heat transfer in microchannels

Journal of Thermal Analysis and Calorimetry - An incompressible preconditioned lattice Boltzmann method (IPLBM) is proposed to investigate the fluid flow and heat transfer characteristics of...     

Neural Estimator of Information for Time-Series Data with Dependency

Novel approaches to estimate information measures using neural networks are well-celebrated in recent years both in the information theory and machine learning communities. These neural-based estimators are shown to converge to the true values when estimating mutual information and conditional mutual information using independent samples. However, if the samples in the dataset are not independent, the consistency of these estimators requires further investigation. This is of particular interest for a more complex measure such as the directed information, which is pivotal in characterizing causality and is meaningful over time-dependent variables. The extension of the convergence proof for such cases is not trivial and demands further assumptions on the data. In this paper, we show that our neural estimator for conditional mutual information is consistent when the dataset is generated with samples of a stationary and ergodic source. In other words, we show that our information estimator using neural networks converges asymptotically to the true value with probability one. Besides universal functional approximation of neural networks, a core lemma to show the convergence is Birkhoff’s ergodic theorem. Additionally, we use the technique to estimate directed information and demonstrate the effectiveness of our approach in simulations.     

Existence,uniqueness and stability of solutions for a class of nonlinear integral equations under generalized Lipschitz condition

In this paper, we prove the existence, uniqueness and the stability of solutions for some nonlinear functional-integral equations by using generalized Lipschitz condition. We prove a fixed point theorem to obtain the mentioned aims in Banach space X:= C([a, b],R). As application we study some Volterra integral equations with linear, nonlinear and singular kernel.     

Novel isocyanide-based three-component one-pot synthesis of cyanophenylamino-acetamide derivatives

A one-pot multicomponent synthesis of a novel class of cyanophenylamino-acetamides through the conversion of primary amides to the corresponding nitriles, starting from simple and readily available inputs including 2-aminobenzamide, an aldehyde, and an isocyanide in the presence of p-toluenesulfonic acid as a catalyst, in excellent yields at room temperature in ethanol as a green reaction medium is described.