Highly insulating alkane rings with destructive σ-interference

Science China Chemistry - Destructive quantum interference (DQI) provides a unique approach to controlling the leakage current in the OFF state of molecular devices. However, the DQI in...     

A gadolinium-based magnetic ionic liquid for supramolecular dispersive liquid–liquid microextraction followed by HPLC/UV for the determination of favipiravir in human plasma

Favipiravir is a potential antiviral medication that has been recently licensed for Covid-19 treatment. In this work, a gadolinium-based magnetic ionic liquid was prepared and used as an extractant in dispersive liquid–liquid microextraction (DLLME) of favipiravir in human plasma. The high enriching ability of DLLME allowed the determination of favipiravir in real samples using HPLC/UV with sufficient sensitivity. The effects of several variables on extraction efficiency were investigated, including type of extractant, amount of extractant, type of disperser and disperser volume. The maximum enrichment was attained using 50 mg of the Gd-magnetic ionic liquid (MIL) and 150 μl of tetrahydrofuran. The Gd-based MIL could form a supramolecular assembly in the presence of tetrahydrofuran, which enhanced the extraction efficiency of favipiravir. The developed method was validated according to US Food and Drug Administration bioanalytical method validation guidelines. The coefficient of determination was 0.9999, for a linear concentration range of 25 to 1.0 × 10⁵ ng/ml. The percentage recovery (accuracy) varied from 99.83 to 104.2%, with RSD values (precision) ranging from 4.07 to 11.84%. The total extraction time was about 12 min and the HPLC analysis time was 5 min. The method was simple, selective and sensitive for the determination of favipiravir in real human plasma.     

Optimization of extraction and quantification technique for phenolics content of garlic (Allium sativum): An application for comparative phytochemical evaluation based on cultivar origin

A range of conventional, i.e. maceration, percolation, ultrasonic assisted, Soxhlet and Soxtec extraction (STE), to advanced extraction techniques of accelerated solvent extraction (ASE) was utilized for the first time in order to optimize the extract yield and recovery of phenolics—gallic acid (GA), rutin (RT) and quercetin (QT)—quantified via ultra-high performance liquid chromatography with diode array detector (UHPLC–DAD). The effect of solvents (n-hexane, dichloromethane and methanol) and temperature (60, 80 and 100°C) upon extraction yield, phenolic content and antioxidant activity (DPPH, ABTS and DPPH) was studied, and the method was validated in commercial food samples from Saudi Arabia, China and India. A high extract yield with percentage recovery was observed for STE (1221.10 mg/5 g; 24.42%) and ASE techniques (91.50 mg/1 g; 9.15%) in methanol at 100°C. UHPLC–DAD showed retention times (min) of 0.67, 1.93 and 1.90 for GA, RT and QT, respectively in the shortest runtime of 3 min. The yield for phenolics was higher for STE/ASE (ppm): 15.27/15.29 (GA), 85.24/37.56 (RT) and 52.20/33.40 (QT), respectively. In terms of antioxidant activities, low IC₅₀ values (μg/ml) of 1.09/1.18 (DPPH), 2.11/5.32 (ABTS) and 4.35/7.88 (phenazine methosulfate–nicotinamide adenine dinucleotide) were observed for STE and ASE, respectively. Multivariate analysis for STE showed a significant (P = 0.000) correlation for extraction type vs. extract yield and phenolics content; however, there was no significance for antioxidant activities vs. extraction type. ASE showed a positive correlation for solvent vs. extraction yield, phenolics and antioxidant activity; however, there was no correlation for extraction yield and DPPH activity. Principal component analysis for STE showed a major variability (52.02%) for extraction yield and phenolics in PC1 followed by PC2 (38.30%) for antioxidant activities. For ASE, PC1 (48.68%) showed a positive correlation for solvent vs. extraction yield and phenolics while PC2 (33.12%) showed a positive correlation for temperature and antioxidant activities. STE and ASE were the optimized extraction techniques for the garlic food sample while a significant effect of solvent and temperature was observed upon extraction yield, phenolics and antioxidant activity.     

Double-Diffusive Convection in Bidispersive Porous Medium with Chemical Reaction and Magnetic Field Effects

Transport in Porous Media - This study features a model for double-diffusive convection in a bidisperse porous medium where a vertical magnetic field chemical reaction’s effects are present....     

Evaluation of some new heterocycles bearing 2-oxoquinolyl moiety as immunomodulator against highly pathogenic avian influenza virus (H5N8)

The hydrazide obtained from furan-2(3H)-one integrated with a quinolin-2(1H)-one core reported previously by our research group was utilized as a building block synthon to obtain some pyrrolone, pyridazinone, oxadiazole, and triazole derivatives through treating with some carbon electrophilic reagents, for example, chloroacetyl chloride, benzoyl chloride, acetic anhydride, carbon disulfide, 3,4-dimethoxybenzaldehyde, and 2-oxoquinolin-3-carbaldehyde to achieve the target heterocycles. The newly synthesized compounds were evaluated as immunomodulator against highly pathogenic avian influenza virus (H₅N₈). The compounds 1 , 11 , and 17 displayed the highest potency (100% protection).     

Ornamental Plant Efficiency for Heavy Metals Phytoextraction from Contaminated Soils Amended with Organic Materials

Accumulation of heavy metals (HMs) by ornamental plants (OPs) from contaminated agriculture soils is a unique technique that can efficiently reduce the metal load in the food chain. Amaranthus tricolor L. has attractive characteristics acquiring a higher growth rate and large biomass when grown at heavy metal contaminated soils. Site-specific detailed information is not available on the use of A. tricolor plant in metal phytoremediation from the polluted sites. The study aimed to enhance the uptake of HMs (Pb, Zn, and Cu) via amending poultry litter extract (PLE), vinasse sugarcane (VSC), and humic acid (HA) as natural mobilized organic materials compared to ethylene diamine tetraacetic acid (EDTA), as a common mobilized chemical agent by A. tricolor plant. The studied soils collected from Helwan, El-Gabal El-Asfar (Cairo Governorate), Arab El-Madabeg (Assiut Governorate), Egypt, and study have been conducted under pot condition. Our results revealed all organic materials in all studied soils, except EDTA in EL-Gabal El-Asfar soil, significantly increased the dry weight of the A. tricolor plant compared to the control treatment. The uptake of Pb and Zn significantly (p > 0.05) increased due to applying all organic materials to the studied soils. HA application caused the highest uptake as shown in Pb concentration by more than 5 times in Helwan soil and EDTA by 65% in El-Gabal El-Asfar soil while VSC increased it by 110% in El-Madabeg soil. Also, an increase in Zn concentration due to EDTA application was 58, 42, and 56% for Helwan, El-Gabal El-Asfar, and El-Madabeg soil, respectively. In all studied soils, the application of organic materials increased the remediation factor (RF) than the control. El-Madabeg soil treated with vinasse sugarcane gave the highest RF values; 6.40, 3.26, and 4.02% for Pb, Zn, and Cu, respectively, than the control. Thus, we identified A. tricolor as a successful ornamental candidate that, along with organic mobilization amendments, most efficiently develop soil health, reduce metal toxicity, and recommend remediation of heavy metal-contaminated soils. Additionally, long-term application of organic mobilization amendments and continued growth of A. tricolor under field conditions could be recommended for future directions to confirm the results.     

The Optimal Pair of Rydberg Alkali-Metal Atoms in the Nonsymmetric Penning Ionization Processes

Optics and Spectroscopy - Features of Penning ionization in cold gaseous media of Rydberg alkali-metal atoms have been investigated. In contrast to the hydrogen atom, the corresponding...     

Time‐Varying Flexible Least Squares for Thermal Desorption of Gases

Time‐varying linear regression via flexible least squares is used to determine temperature‐dependent kinetic parameters during low‐pressure, steady‐state, temperature‐programmed desorption from catalytic surfaces. The flexible least squares approach optimizes time‐varying parameters by minimizing dynamic and measurement discrepancies between a linear theoretical model and experimental data using linear regression. The effectiveness of this approach is demonstrated by calculation of accurate temperature‐dependent activation energies, preexponential factors, and differential conversion functions for the evolution of 3‐methyl‐2‐oxetanone (β‐lactone) during the selective oxidation of isobutane over aluminum phosphomolybdates.