X-ray measurements of bremsstrahlung and electron capture by fast positive ions

Two broad spectral features which may be easily overlooked or misinterpreted in the discussion of X-ray spectra induced by fast atomic collisions are reported. Calculations based on relatively simple models are in good agreement with the data.     

Simulation of block copolymer stabilized nanoparticles in a two-solvent system

In this paper, by using Brownian Dynamics simulation, we investigate in general terms the behavior of a nanoparticle stabilized by a block copolymer in the presence of an oil-water interface. We investigate the probability of sticking to the interface, the density distribution of the copolymer across the interface and the area occupied by the stabilized nanoparticle at the interface. By using representative snapshots of the stabilized nanoparticle, derived from the density distribution, we find that the nanoparticle stabilized by a block copolymer, with the hydrophobic side of it tethered to the nanoparticle, prefers sitting at the oil-phase, and thus has a contact angle that is tested to be larger than 90 degrees for most of the cases, even if the hydrophobe content is less than 50%. Thus we find the architecture of a block-copolymer attachment to have a significant effect on the emulsion type that would result.     

Chemical Composition of Pentanema kurdistanicum Essential Oil

Chemistry of Natural Compounds -     

Effect of Avogadro natural oil on the corrosion inhibition of mild steel in hydrochloric acid solution

The inhibition action of Avogadro natural oil on corrosion of mild steel in one molar hydrochloric acid solution was investigated by gravimetric and potentiodynamic polarization techniques. The surface morphology of as-corroded samples was assessed with high resolution scanning transmission electron microscopy equipped with energy dispersive spectroscopy (HR-STEM/EDS). From the results, the presence of Avogadro natural oil in the metal–acidic interface decreased the corrosion rate with all the exposure times. The inhibition efficiency (%IE) increases with the concentration of the inhibitor considered. Results obtained from gravimetric measurements indicate that the natural oil exhibited higher efficiencies of 93.26 % after 384 h of exposure time and 98.26 % recorded in the potentiodynamic polarization method, both at 4.5 g/v inhibitor addition. Equally, results from the linear polarization indicated higher potential value with an increase in the polarization resistance (R _p) and lower current density for the inhibited samples than the uninhibited mild steel sample. The inhibitive effect of this oil was explained in view of adsorption on the metal surface. The adsorption process follows the Langmuir adsorption isotherm.     

Laser radiation effects on optical and structural properties of nanostructure CdSe thin film

Cadmium selenide (CdSe) thin films were deposited on a glass substrate using the thermal evaporation method at room temperature. The changes in the optical properties (optical band gap and absorption coefficient) after irradiation by TEA N₂ laser at different energies were measured in the wavelength range 190–800 nm using a spectrophotometer. It was found that the optical band gap is decreased after irradiating the thin films. The samples were characterized using X-ray diffraction (XRD), and the grain size of the CdSe thin film was calculated from XRD data, which was found to be 41.47 nm as-deposited. It was also found that grain size increases with laser exposure. The samples were characterized using a scanning electron microscope and it was found that big clusters were formed after irradiation by TEA N₂ laser.     

α-Glucosidase, α-Amylase and Antioxidant Evaluations of Isolated Bioactives from Wild Strawberry

Diabetes mellitus is a metabolic disorder and is a global challenge to the current medicinal chemists and pharmacologists. This research has been designed to isolate and evaluate antidiabetic bioactives from Fragaria indica. The crude extracts, semi-purified and pure bioactives have been used in all in vitro assays. The in vitro α-glucosidase, α-amylase and DPPH free radical activities have been performed on all plant samples. The initial activities showed that ethyl acetate (Fi.EtAc) was the potent fraction in all the assays. This fraction was initially semi-purified to obtain Fi.EtAc 1–3. Among the semi-purified fractions, Fi.EtAc 2 was dominant, exhibiting potent IC₅₀ values in all the in vitro assays. Based on the potency and availability of materials, Fi.EtAc 2 was subjected to further purification to obtain compounds 1 (2,4-dichloro-6-hydroxy-3,5-dimethoxytoluene) and 2 (2-methyl-6-(4-methylphenyl)-2-hepten-4-one). The two isolated compounds were characterized by mass and NMR analyses. The compounds 1 and 2 showed excellent inhibitions against α-glucosidase (21.45 for 1 and 15.03 for 2 μg/mL), α-amylase (17.65 and 16.56 μg/mL) and DPPH free radicals (7.62 and 14.30 μg/mL). Our study provides baseline research for the antidiabetic bioactives exploration from Fragaria indica. The bioactive compounds can be evaluated in animals-based antidiabetic activity in future.     

Enhancement of Haloperidol Binding Affinity to Dopamine Receptor via Forming a Charge-Transfer Complex with Picric Acid and 7,7,8,8-Tetracyanoquinodimethane for Improvement of the Antipsychotic Efficacy

Haloperidol (HPL) is a typical antipsychotic drug used to treat acute psychotic conditions, delirium, and schizophrenia. Solid charge transfer (CT) products of HPL with 7,7,8,8-tetracyanoquinodimethane (TCNQ) and picric acid (PA) have not been reported till date. Therefore, we conducted this study to investigate the donor–acceptor CT interactions between HPL (donor) and TCNQ and PA (π-acceptors) in liquid and solid states. The complete spectroscopic and analytical analyses deduced that the stoichiometry of these synthesized complexes was 1:1 molar ratio. Molecular docking calculations were performed for HPL as a donor and the resulting CT complexes with TCNQ and PA as acceptors with two protein receptors, serotonin and dopamine, to study the comparative interactions among them, as they are important neurotransmitters that play a large role in mental health. A molecular dynamics simulation was ran for 100 ns with the output from AutoDock Vina to refine docking results and better examine the molecular processes of receptor–ligand interactions. When compared to the reactant donor, the CT complex [(HPL)(TCNQ)] interacted with serotonin and dopamine more efficiently than HPL only. CT complex [(HPL)(TCNQ)] with dopamine (CTtD) showed the greatest binding energy value among all. Additionally, CTtD complex established more a stable interaction with dopamine than HPL–dopamine.     

Laser wavelength effect on structural and optical properties of Cd34Se66 nanocrystalline thin film

Cadmium Selenide (Cd₃₄Se₆₆) thin films are deposited on a glass substrate using the thermal evaporation method at room temperature. The Cd₃₄Se₆₆ films are characterized using XRD. The crystallite size of the film is calculated from XRD data, which is found as 29.61 nm as-deposited. It is also found that crystallite size of Cd₃₄Se₆₆ changed after irradiation with N₂ and Nd:YAG laser. The changes in the optical properties of the films after irradiation with N₂ laser and Nd:YAG laser are also studied in the wavelength range of 300-700 nm and it is found that the optical band gap of the Cd₃₄Se₆₆ films changed after laser irradiation.     

Impacts of Limestone Vertical Permeability Heterogeneity on Fluid–Rock Interaction During CCS

Transport in Porous Media - Within the context of subsurface CO2 storage, “live brine” (formed by the mixing of CO2 and brine) in limestone rock environments can cause mineral...     

Mathematical modeling of a continuous-flow packed-bed reactor with immobilized lipase for kinetic resolution of (R,S)-2-pentanol

In this study, the kinetic resolution of (R,S)-2-pentanol via transesterification to achieve S-2-pentanol, a key intermediate required in the synthesis of anti-Alzheimer drugs, was investigated in continuous-flow packed-bed reactors. The effects of residence time, substrate concentration, and operation time of the enzyme were investigated. Under steady state conditions, 50% conversion and enantiomeric excess of the substrate (ee _S >99% were achieved at a residence time of 0.04 min. Productivity of the continuous-flow process (1.341 mmol/min/g)was about 4 times higher than that of the corresponding batch process (0.363 mmol/min/g). In addition, the mathematical modeling of the packed-bed reactor was conductedusing an axial dispersion model. Ping Pong Bi Bi kinetics was used in this model. Design parameters were determined and the developed equations were solved using an algorithm for solving boundary value problems for ordinary differential equations by collocation (bvp4c) using MATLAB. The results, obtained from the model, fitted the experimental data very well.)