Dielectric relaxation of chlorinated polyvinyl chloride (CPVC) stabilized with cyanoguanidine

Dielectric spectra of CPVC stabilized with cyanoguanidine were studied in the temperature range 300–450 K and frequency range 10 kHz to 1 MHz. In these conditions, only one clear dielectric relaxation band (α-type) associated with dipolar polarization was observed. Dielectric losses was found to directly proportional to the number of dipoles (N) which reflects the orientational distribution of polymer chains in the amorphous region, at which dielectric losses concerned. Calculations of the dielectric modulus M′(T) at low temperature indicate that there is a role of the electrode polarization in the relaxation process. Dielectric loss data were used to calculate the activation enthalpy by two different methods, the obtained value was 450 kJ/mol.     

Benzimidazole tethered thioureas as a new entry to elastase inhibition and free radical scavenging: Synthesis,molecular docking,and enzyme inhibitory kinetics

The porcine pancreatic elastase inhibition and free-radical scavenging play a crucial role in age progression. All the series of 10 newly synthesized benzimidazole thioureas ( 4a-j ) were assessed for elastase inhibition and radical scavenging activity to identify the suitable anti-aging ingredient for cosmetics products. The compounds 4e , 4f , 4g , and 4h showed inhibition better than the standard, while compound 4f showed the most significant elastase inhibition with the IC₅₀ value of 1.318 ± 0.025 μM compared with oleanic acid IC₅₀ 13.451 ± 0.014 used ±1.989 and 41.563 ± 0.824, respectively, as standard. Molecular docking studies were performed and the compound 4f showed binding energy of 7.2 kcal/mol. Kinetics studies revealed inhibition of the pancreatic elastase in a competitive manner. The relative binding energy and structure activity relationship (SAR) identified compound 4f as an effective inhibitor of porcine pancreatic elastase. Compounds 4e and 4i showed remarkable free-radical scavenging activity with SC₅₀ values of 26.421.     

Flexible carbon nanostructures with electrospun nickel oxide as a lithium-ion battery anode

Carbon nanostructures (CNS) with high electrical conductivity and unique branched structure of carbon nanotubes combined with NiO nanofibers (NFs) were used as anode for lithium-ion batteries. CNS works as a framework substrate for the anodic conversion reaction of nickel oxide (NiO). Electrochemical performance and behavior of CNS/NiO anodes is compared with the conventional carbon (C)/NiO anodes. CNS/NiO NF-based anode retains high specific capacity under different current densities compared to C/NiO anode. Moreover, specific capacity as high as 450 mAh/g for CNS/NiO NF anode is observed compared to only 90 mAh/g for C/NiO NFs using a current density of 500 mA/g after 500 cycles. This improved performance is attributed to the highly conductive network of CNS leading to efficient charge transfer. The high porosity, electrical conductivity as well as the branched and networked nature of CNS reveal to be of critical importance to allow the electrochemical conversion reactions.     

Effect of Oil Palm and Jute Fiber Treatment on Mechanical Performance of Epoxy Hybrid Composites

In this work, oil palm empty fruit bunch (EFB) and jute fibers were treated with 2-hydroxy ethyl acrylate (2-HEA) to improve interfacial bonding of oil palm EFB and jute fibers with epoxy matrix. Hybrid composites were fabricated by incorporation of modified oil palm EFB and jute fibers into an epoxy matrix by the hand lay-up technique. Mechanical (flexural and impact) and morphological properties of modified hybrid composites were measured. Results indicated that flexural and impact properties of modified fiber–reinforced hybrid composites improved as compared to untreated hybrid composites due to better fiber/matrix interfacial bonding, which was confirmed by scanning electron microscopy. We confirmed that treated oil palm/jute hybrid composite may be fabricated by advanced techniques such as resin transfer molding, extrusion, and injection molding for industrial applications in the automotive sector.     

Beyond the Polysulfide Shuttle and Lithium Dendrite Formation: Addressing the Sluggish Sulfur Redox Kinetics for Practical High-Energy Li-S Batteries

Electrolyte modulation simultaneously suppresses polysulfide the shuttle effect and lithium dendrite formation of lithium–sulfur (Li-S) batteries. However, the sluggish S redox kinetics, especially under high S loading and lean electrolyte operation, has been ignored, which dramatically limits the cycle life and energy density of practical Li-S pouch cells. Herein, we demonstrate that a rational combination of selenium doping, core–shell hollow host structure, and fluorinated ether electrolytes enables ultrastable Li stripping/plating and essentially no polysulfide shuttle as well as fast redox kinetics. Thus, high areal capacity (>4 mAh cm⁻²) with excellent cycle stability and Coulombic efficiency were both demonstrated in Li metal anode and thick S cathode (4.5 mg cm⁻²) with a low electrolyte/sulfur ratio (10 μL mg⁻¹). This research further demonstrates a durable Li-Se/S pouch cell with high specific capacity, validating the potential practical applications.     

Asymmetric Transfer Hydrogenation of gem-Difluorocyclopropenyl Esters: Access to Enantioenriched gem-Difluorocyclopropanes

Catalytic enantioselective access to disubstituted functionalized gem-difluorocyclopropanes, which are emerging fluorinated motifs of interest in medicinal chemistry, was achieved through asymmetric transfer hydrogenation of gem-difluorocyclopropenyl esters, catalyzed by a Noyori–Ikariya (p-cymene)-ruthenium(II) complex, with (N-tosyl-1,2-diphenylethylenediamine) as the chiral ligand and isopropanol as the hydrogen donor. The resulting cis-gem-difluorocyclopropyl esters were obtained with moderate to high enantioselectivity (ee=66–99 %), and post-functionalization reactions enable access to valuable building blocks incorporating a cis- or trans-gem-difluorocyclopropyl motif.     

Computational studies on the conformational preference of N-(Thiazol-2-yl) benzamide

N-(Thiazol-2-yl) benzamide 1 substructures are found in some of bioactive compounds. In some of protein/ligand co-crystals, the 1 moiety adopts a conformer in which the amide O and the thiazole S atoms are close. In fact, in the crystalline structure of 1 , the O—S distance is even shorter than Van der Waals radius. Although the natural bond orbital analysis finds a weak stabilizing interaction between O and S atoms, the attractive dipole–dipole interaction between the amide N─H and thiazole N atom seems to play a more significant role. Moreover, an intramolecular O—H hydrogen bonding in dimeric forms found to have an important role in the conformation preference of 1 . Computational details for the stability of conformers have been discussed using quantum theory of atoms in molecules, natural bond orbital (NBO) and noncovalent interaction index analysis.     

Synthesis of heterocycles using nanomagnetic nickel catalysts

Abstract

Heterocyclic scaffolds are important components in the structure of many drugs and natural products. They are well-known compounds because of their broad spectrum of pharmaceutical and biological activities. In this paper, we provide an overview of the utilization of nickel complexes immobilized on magnetic nanoparticles as attractive and efficient catalytic systems for synthesis of heterocyclic molecules.     

Study of the nanostructure of γ‐irradiated high‐density polyethylene/carbon black composite and its durability as geomembrane

The degradation of the nearby generation of high‐density polyethylene (HDPE) loaded with 2.5% of carbon black (CB) content (ie, HDPE/CB composites) is studied experimentally with the end goal of radiation safety applications. The impact of various γ‐irradiation doses in the air on the nanostructure of free volume and durability has been researched. The free volume was evaluated utilizing the positron annihilation lifetime (PAL) technique while the durability was contemplated by measuring the mechanical properties such as strain, elongation at break, and tear resistance. The electrical conductivity was explored to demonstrate the impact of the irradiation dose on the conductivity of the samples. Surface morphology studies using a scanning electron microscope (SEM) showed the surface fracture of HDPE/CB composites for unirradiated and irradiated samples. The surface roughness of the HDPE/CB GMs increases with increasing the irradiation dose. Among various uses of HDPE/CB composites, sheets are liners of dumps used to dispose of interim storage for Low and Medium Level Waste of NORMs and TENORMs. HDPE Geomembrane liners proved its utilization from the results of present research of electrical, mechanical tests, and SEM morphology to have the required resistance to weather conditions.     

Design,Synthesis, and Molecular Docking of Paracyclophanyl-Thiazole Hybrids as Novel CDK1 Inhibitors and Apoptosis Inducing Anti-Melanoma Agents

Three new series of paracyclophanyl-dihydronaphtho[2,3-d]thiazoles and paracyclophanyl-thiazolium bromides were designed, synthesized, and characterized by their spectroscopic data, along with X-ray analysis. One-dose assay results of anticancer activity indicated that 3a–e had the highest ability to inhibit the proliferation of different cancer cell lines. Moreover, the hybrids 3c–e were selected for five-dose analyses to demonstrate a broad spectrum of antitumor activity without apparent selectivity. Interestingly, series I compounds (Z)-N-substituted-4,9-dihydronaphtho[2,3-d]thiazol-3(2H)-yl)-4′-[2.2]paracyclophanylamide) that are carrying 1,4-dihydronaphthoquinone were more active as antiproliferative agents than their naphthalene-containing congeners (series II: substituted 2-(4′-[2.2]paracyclophanyl)hydrazinyl)-4-(naphth-2-yl)-thiazol-3-ium bromide hybrids) and (series III: 3-(4′-[2.2]paracyclophanyl)amido-2-(cyclopropylamino)-4-(naphth-2-yl)thiazol-3-ium bromide) toward the SK-MEL-5 melanoma cell line. Further antiproliferation investigations of 3c and 3e on the healthy, normal unaffected SK-MEL-5 cell line indicated their relative safety. Compound 3c showed an inhibition of eight isoforms of cyclin-dependent kinases (CDK); however, it exhibited the lowest IC₅₀ of 54.8 nM on CDK1 in comparison to Dinaciclib as a reference. Additionally, compound 3c revealed a remarkable downregulation of phospho-Tyr15 with a level (7.45 pg/mL) close to the reference. 3c mainly showed cell cycle arrest in the pre-G1 and G2/M phases upon analysis of the SK-MEL-5 cell line. The sequential caspase-3 assay for 3c indicated a remarkable overexpression level. Finally, a molecular docking study was adopted to elucidate the binding mode and interactions of the target compounds with CDK1.