Papain Loaded Poly(ε-Caprolactone) Nanoparticles<Emphasis Type="Italic">: In-silico and</Emphasis><Emphasis Type="Italic">In-Vitro</Emphasis> Studies

Papain is a protease enzyme with therapeutic properties that are very valuable for medical applications. Poly(ε-caprolactone) (PCL) is an ideal polymeric carrier for controlled drug delivery systems due to its low biodegradability and its high biocompatibility. In this study, the three-dimensional structure and action mechanism of papain were investigated by in vitro and in silico experiments using molecular dynamics (MD) and molecular docking methods to elucidate biological functions. The results showed that the size of papain-loaded PCL nanoparticles (NPs) and the polydispersity index (PDI) of the NPs were 242.9 nm and 0.074, respectively. The encapsulation efficiency and loading efficiency were 80.4 and 27.2%, respectively. Human embryonic kidney cells (HEK-293) were used for determining the cytotoxicity of papain-loaded PCL and PCL nanoparticles. The in vitro cell culture showed that nanoparticles are not toxic at low concentrations, while toxicity slightly increases at high concentrations. In silico studies, which were carried out with MD simulations and ADME analysis showed that the strong hydrogen bonds between the ligand and the papain provide stability and indicate the regions in which the interactions occur.     

Synthesis and Structural Characterization of Bioactive Ferrocenyl Substituted Hydrazones

Russian Journal of Coordination Chemistry - A series of ferrocenyl substituted hydrazones (I–VII) derived from ferrocene carboxaldehyde and substituted hydrazides have been prepared and...     

Dose response of hydrazine – Deproteinated tooth enamel under blue light stimulation

The beta dose response and Optically Stimulated Luminescence (OSL) signal stability characteristics of human tooth enamel deproteinated by hydrazine reagent under blue photon stimulation are reported. Removal of the protein organic component of tooth enamel resulted in a higher OSL sensitivity and slower fading of OSL signals. The effect of chemical sample preparation on the enamel sample sensitivity is discussed and further steps to make this deproteinization treatment suitable for in vitro dose reconstruction studies are suggested.     

Determination of Lambda-Cyhalothrin and Malathion Residues in Locust by Gas Chromatography with Electron Capture Detection

Journal of Analytical Chemistry - A reliable, easy, and reproducible method was developed for the quantification of λ-cyhalothrin and malathion residues in desert locust. For the extraction, a...     

Preparation and dispersion stability of aqueous metal oxide nanofluids for potential heat transfer applications: a review of experimental studies

Journal of Thermal Analysis and Calorimetry - Nanofluids have recently attracted attention of many researchers due to their growing potential applications in heat transfer devices. They possess...     

Selenium Alleviates the Adverse Effect of Drought in Oilseed Crops Camelina (Camelina sativa L.) and Canola (Brassica napus L.)

Drought poses a serious threat to oilseed crops by lowering yield and crop failures under prolonged spells. A multi-year field investigation was conducted to enhance the drought tolerance in four genotypes of Camelina and canola by selenium (Se) application. The principal aim of the research was to optimize the crop yield by eliciting the physio-biochemical attributes by alleviating the adverse effects of drought stress. Both crops were cultivated under control (normal irrigation) and drought stress (skipping irrigation at stages i.e., vegetative and reproductive) conditions. Four different treatments of Se viz., seed priming with Se (75 μM), foliar application of Se (7.06 μM), foliar application of Se + Seed priming with Se (7.06 μM and 75 μM, respectively) and control (without Se), were implemented at the vegetative and reproductive stages of both crops. Sodium selenite (Na₂SeO₃), an inorganic compound was used as Se sources for both seed priming and foliar application. Data regarding physiochemical, antioxidants, and yield components were recorded as response variables at crop maturity. Results indicated that WP, OP, TP, proline, TSS, TFAA, TPr, TS, total chlorophyll contents, osmoprotectant (GB, anthocyanin, TPC, and flavonoids), antioxidants (APX, SOD, POD, and CAT), and yield components (number of branches per plant, thousand seed weight, seed, and biological yields were significantly improved by foliar Se + priming Se in both crops under drought stress. Moreover, this treatment was also helpful in boosting yield attributes under irrigated (non-stress) conditions. Camelina genotypes responded better to Se application as seed priming and foliar spray than canola for both years. It has concluded that Se application (either foliar or priming) can potentially alleviate adverse effects of drought stress in camelina and canola by eliciting various physio-biochemicals attributes under drought stress. Furthermore, Se application was also helpful for crop health under irrigated condition.     

Benchmark approach to search of cost-effective and accurate density functional for homolytic cleavage of C─Mg bond of Grignard reagent

Grignard reactions are of importance in organic chemistry for the synthesis β-keto esters and diethyl malonate, alcohols, aldehydes or ketones, monocarboxylic acids, and other organometallic compounds. Generally, the heterolytic dissociation of C─Mg bond in Grignard reagent is the key step in these reactions. Recently, homolytic cleavage of the C─Mg bond in Grignard reagents has been reported in the preparation of stable radicals. These reactive species react with other compounds, which result in the formation of hydrocarbons and their derivatives. Therefore, the study of homolytic cleavage of C─Mg bonds is quite vital to better understand the kinetics and thermodynamics of these reactions. In the current study, a benchmark approach is adopted to find a cost-effective and accurate density functional (DF) for bond dissociation energies measurement of the C─Mg bond of Grignard reagents. Twenty-nine DFs from 13 density functional theory (DFT) classes with three types of basis sets (Pople' 6-31G(d) and 6-311G(d), Dunning's aug-cc-pVDZ, and Karlsruhe' def2-SVP basis sets) are implemented for the measurement of dissociation energies of the C─Mg bond. Theoretical dissociation energy values are compared with experimental reported values of the C─Mg bond of selected Grignard reagents. TPSSTPSS of the meta-GGA class with 6-31G (d) basis set gave accurate results, and its Pearson's correlation is 0.95. SD, root mean square deviation, and mean unsigned error of this method are 2.36 kcal mol⁻¹, 2.33 kcal mol⁻¹, and −0.46 kcal mol⁻¹, respectively. TPSSTPSS of the meta-GGA class is a one-electron, self-interaction, error-free Tao-Perdew-Staroverov-Scuseria functional that performed better with the 6-31G(d) basis set.     

Unroofing history of the Sillai Patti granite gneiss, Pakistan: constraints from zircon fission-track dating

A group of alkaline igneous rocks is exposed in the north of the Peshawar Plain, extending from Tarbela in the east up to Loe–Shilman near the Pakistan–Afghanistan border in the west. The alkaline rocks consist mainly of granites, syenites, gabbros, ijolites and carbonatites. Granitic gneisses of Paleozoic age are exposed at the Malakand and further westward at Sillai Patti. However, the fission-track dating studies on zircon, based on the present work, indicate that the age of the Sillai Patti granite gneiss is less than the absolute age of granite gneisses. Therefore, the zircon fission-track age of 24.28±2.97 Ma of the Sillai Patti granite gneiss, represents a time of post-metamorphic denudation history of the area, when these rocks passed through the 210°C isotherm, corresponding to a depth of about 6.7 km inside the earth's crust from their present position if a paleogeothermal gradient of 30°C/km is assumed to have prevailed. Our average fission-track zircon age of 24.28±2.97 Ma is very similar to the average fission-track zircon age of 25.4±0.7 Ma of Mansehra granites. Average cooling rates of the Mansehra and Sillai Patti granite gneisses have been computed to be (8.00±0.22)°C/Ma and (8.00±0.98)°C/Ma, while the average denudation rates of the Mansehra and Sillai Patti granite gneisses have been computed to be (0.262±0.007) and (0.274±0.034) mm/yr, respectively, on the basis of zircon fission-track ages for the period between 25 Ma and the present time. This indicates that the two complexes have experienced similar average cooling/uplift-induced denudation histories during the last 25 Ma or so.     

Small amplitude dust-acoustic soliton energy in dusty plasmas with suprathermal polarization force

The effect of suprathermal polarization force on both linear and weakly nonlinear dust-acoustic solitary structures in a three-component dusty plasma is investigated. For this purpose, a new expression of the polarization force acting on dust particles that include the electronic suprathermal effect is derived. The results are applied to two different experimental dusty plasmas. We have found that the polarization force acting on the dust grains decreases as the electron suprathermality becomes more significant. In addition, we have shown that, for a given value of the spectral index κ , the polarization force magnitude fluctuates from one plasma to another. The changes arising in the propagation of small-amplitude dust-acoustic (DA) solitons due to the presence of this suprathermal polarization force are also analysed. Interestingly, an increase in the magnitude of the polarization force leads to an increase in the amplitude and width of DA soliton and provides more energy to the motion of this soliton.     

Oblique interaction of electrostatic nonlinear structures in relativistically degenerate dense magnetoplasmas

We have investigated the interaction of obliquely propagating ion acoustic solitary waves in a magnetoplasma with relativistically degenerate electrons. Using the quantum hydrodynamics model and by employing the extended Poincaré–Lighthill–Kuo technique, we have derived a set of Korteweg de Vries equations for two solitons. We have observed that the system under consideration allows the formation of only compressive solitons and their velocities remain in the sub-acoustic limit. Furthermore, phase shifts of solitons as a result of their interaction have been calculated. The phase shifts have been observed to be dependent on the obliqueness and the physical parameters of plasma. It has also been noticed that phase shifts remain negative for the whole range of parameters generally found in white dwarf stars. We have observed that the phase shifts enhance with the enhancement in number density, however, the converse happens when the magnetic field is enhanced. It has also been observed that the phase shift is slightly greater for the solitons that are less oblique as compared to their more oblique counterparts. Furthermore, we have estimated the spatial scales of interaction of solitons using the parameters found in white dwarf stars.