Sarcorucinine-D Inhibits Cholinesterases and Calcium Channels: Molecular Dynamics Simulation and In Vitro Mechanistic Investigations

Acetylcholinesterase (AChE) inhibitors and calcium channel blockers are considered effective therapies for Alzheimer’s disease. AChE plays an essential role in the nervous system by catalyzing the hydrolysis of the neurotransmitter acetylcholine. In this study, the inhibition of the enzyme AChE by Sarcorucinine-D, a pregnane type steroidal alkaloid, was investigated with experimental enzyme kinetics and molecular dynamics (MD) simulation techniques. Kinetics studies showed that Sarcorucinine-D inhibits two cholinesterases—AChE and butyrylcholinesterase (BChE)—noncompetitively, with K_i values of 103.3 and 4.66 µM, respectively. In silico ligand-protein docking and MD simulation studies conducted on AChE predicted that Sarcorucinine-D interacted via hydrophobic interactions and hydrogen bonds with the residues of the active-site gorge of AChE. Sarcorucinine-D was able to relax contractility concentration-dependently in the intestinal smooth muscles of jejunum obtained from rabbits. Not only was the spontaneous spasmogenicity inhibited, but it also suppressed K⁺-mediated spasmogenicity, indicating an effect via the inhibition of voltage-dependent Ca²⁺ channels. Sarcorucinine-D could be considered a potential lead molecule based on its properties as a noncompetitive AChE inhibitor and a Ca²⁺ channel blocker.     

Effect of size and indium-composition on linear and nonlinear optical absorption of InGaN/GaN lens-shaped quantum dot

Based on the Schr ¨odinger equation for envelope function in the effective mass approximation, linear and nonlinear optical absorption coefficients in a multi-subband lens quantum dot are investigated. The effects of quantum dot size on the interband and intraband transitions energy are also analyzed. The finite element method is used to calculate the eigenvalues and eigenfunctions. Strain and In-mole-fraction effects are also studied, and the results reveal that with the decrease of the In-mole fraction, the amplitudes of linear and nonlinear absorption coefficients increase. The present computed results show that the absorption coefficients of transitions between the first excited states are stronger than those of the ground states. In addition, it has been found that the quantum dot size affects the amplitudes and peak positions of linear and nonlinear absorption coefficients while the incident optical intensity strongly affects the nonlinear absorption coefficients.     

An investigation of Forex market efficiency based on detrended fluctuation analysis: A case study for Iran

The efficient market hypothesis (EMH) states that asset prices fully reflect all available information. As a result, speculators cannot predict the future behavior of asset prices and earn excess profits at least after adjusting for risk. Although initial tests of the EMH were performed on stock market data, the EMH was soon applied to other markets including foreign exchange (FX). This study uses the detrended fluctuation analysis (DFA) technique to test 01:12:2005–18:04:2010 Iranian Rial/US Dollar exchange rate time series data to see if it can be explained by the weak form of the EMH. Moreover, to determine changes in the degree of inefficiency over time, the whole period has been divided into four subperiods. The study shows that the Iranian Forex market (the Rial/Dollar case) is weak-form inefficient over the whole period and in each of the subperiods. However, the degree of inefficiency is not constant over time. The findings suggest that profitable risk-adjusted trades could be made using past data.     

Characterization of AZ91D Granules Covered with a Flux during In‐Situ Melting

Oxidation and melting behaviors of AZ91D granules throughout the in‐situ melting process using flux were investigated. The granules were heated under unprotected environment at four different temperatures between 650 and 800 °C, for the durations of 30 and 60 min. The products of heating process were characterized macroscopically and the oxides formed on the granules were examined using field emission scanning electron microscope, energy dispersive X‐ray spectroscopy and X‐ray diffraction analysis. Thermal analysis was used to reveal the response of the granules to heating during the in‐situ melting. The results showed that the granules experienced severe oxidation even in the presence of the flux, and significant amount of them changed to a powdered state due to oxidation and combustion, especially at 800 °C. It was discovered that the granules melted during heating; however, oxides formed on their surface encapsulated the molten metal and prevented the liquids from merging. The results also revealed that increasing heating temperature and time enhanced mold‐magnesium reaction resulted in the entrance of mold materials into the oxidation residues.     

A broadband grating-coupled silicon nitride waveguide for the mid-IR: characterization and sensitive measurements using an external cavity quantum cascade laser

We present the design and fabrication of a single-mode slab waveguide structure for mid-infrared spectroscopy optimized for broadband coupling. The sensor uses grating couplers for robust off-axis coupling and a silicon nitride guiding layer for mechanical robustness. An external cavity quantum cascade laser-based transmission method is introduced for characterizing the structure’s broadband coupling behavior. Light from an external cavity quantum cascade laser with a spectral range of 0.5 μm around 6 μm was coupled into the waveguide without the need for moving parts. First spectra taken with this sensor are presented.     

High-pressure phases of hydrogen cyanide: formation of hydrogenated carbon nitride polymers and layers and their electronic properties

We have performed a set of first-principles simulations to consider the possible phase transitions in molecular crystals of HCN under high pressure. Our calculations reveal several transition paths from the orthorhombic phase to tetragonal and then to triclinic phases. The transitions from the orthorhombic to the tetragonal phases are of the second order, whereas those from the tetragonal to the triclinic phases turn out to be of the first-order type and characterized by an abrupt decrease in volume. Our calculations show that, by adjustment of the temperature and pressure of the HCN molecular crystal, novel layered and polymeric crystals with insulating, semiconducting or metallic properties can be found. Based on our simulation results, two different crystal formation mechanisms are deduced. The stabilities of the predicted structures at ambient pressure are further assessed by performing phonon or MD simulations. In addition, the electron transport properties of the predicted polymers are obtained using the non-equilibrium Green's function technique combined with density functional theory. The results show that the polymers have metallic-like I-V characteristics.     

Robust adaptive synchronization for a general class of uncertain chaotic systems with application to Chua's circuit

The synchronization problem for a general class of uncertain chaotic systems is addressed. The underlying systems may be perturbed by unknown time-varying parameters, unstructured uncertainties, and external disturbances. Meanwhile, the time-varying parameters and disturbances are neither required to be periodic nor to have known bounds. Assuming the disturbances are L(2) signals, an adaptive control incorporated with H(∞) control technique is employed to construct a robust adaptive synchronization algorithm. Then, removing such assumption, a novel adaptive-based method is developed to achieve the goal of synchronization. In order to demonstrate the effectiveness of the proposed algorithms, such methods are applied to solve the synchronization problem of uncertain chaotic Chua's circuits.     

Modified grating-based external cavity diode laser for simultaneous dual-wavelengths operation

We have reported a modified V-shaped external cavity, which is constructed around a commercial diode laser operating at a center wavelength of λ=785 nm by adding a new coated glass plate with about 50% reflectivity to the cavity. This allows simultaneous dual-wavelengths operation in the vicinity of Δν_min=0.18 THz to Δν_max=0.22 THz, which can be used as laser source for terahertz generation either for semiconductor devices or nonlinear schemes.