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.     

Solvation Rule for Solid‐Electrolyte Interphase Enabler in Lithium‐Metal Batteries

Despite the exceptionally high energy density of lithium metal anodes, the practical application of lithium‐metal batteries (LMBs) is still impeded by the instability of the interphase between the lithium metal and the electrolyte. To formulate a functional electrolyte system that can stabilize the lithium‐metal anode, the solvation behavior of the solvent molecules must be understood because the electrochemical properties of a solvent can be heavily influenced by its solvation status. We unambiguously demonstrated the solvation rule for the solid‐electrolyte interphase (SEI) enabler in an electrolyte system. In this study, fluoroethylene carbonate was used as the SEI enabler due to its ability to form a robust SEI on the lithium metal surface, allowing relatively stable LMB cycling. The results revealed that the solvation number of fluoroethylene carbonate must be ≥1 to ensure the formation of a stable SEI in which the sacrificial reduction of the SEI enabler subsequently leads to the stable cycling of LMBs.     

Virtual Screening,Synthesis and Biological Evaluation of Streptococcus mutans Mediated Biofilm Inhibitors

Dental caries, a global oral health concern, is a biofilm-mediated disease. Streptococcus mutans, the most prevalent oral microbiota, produces extracellular enzymes, including glycosyltransferases responsible for sucrose polymerization. In bacterial communities, the biofilm matrix confers resistance to host immune responses and antibiotics. Thus, in cases of chronic dental caries, inhibiting bacterial biofilm assembly should prevent demineralization of tooth enamel, thereby preventing tooth decay. A high throughput screening was performed in the present study to identify small molecule inhibitors of S. mutans glycosyltransferases. Multiple pharmacophore models were developed, validated with multiple datasets, and used for virtual screening against large chemical databases. Over 3000 drug-like hits were obtained that were analyzed to explore their binding mode. Finally, six compounds that showed good binding affinities were further analyzed for ADME (absorption, distribution, metabolism, and excretion) properties. The obtained in silico hits were evaluated for in vitro biofilm formation. The compounds displayed excellent antibiofilm activities with minimum inhibitory concentration (MIC) values of 15.26–250 µg/mL.     

Anomalous flow behavior in closed and open thin walled nanochannels

Molecular dynamics simulations have been carried out to examine water flow in symmetric and asymmetric open and closed ends nanochannels with hydrophilic surfaces. The results are counterintuitive and the opposite of what is observed in macro-systems-closed channels fill faster with fluid than do their open counterparts. In addition, hybrid closed-open asymmetric channels fill up even faster. These results can be explained on the basis of the fluid-structure interaction that arises through the different vibrational behaviors of the surface molecules that are part of the wall forming these channels. Such effects are not expected to be of significance in macro-channels, and point to an important case where macro and nanochannels exhibit contrary behavior. Since these effects results from strong interactions between the fluid molecules and solid surface, one would not expect them with hydrophobic walls, and our simulations confirm such behavior.     

Group 6 metal carbonyl complexes of 3′H-spiro[indole-3,2′-[1,3]benzothiazole-2(1H)]-one

The spiro-compound 3′H-spiro[indole-3,2′-[1,3]benzothiazole-2(1H)-one (IBTH₂) was synthesized and its structure was determined using spectroscopic techniques (FTIR, ¹H NMR and mass) and X-ray crystallography. This ligand possesses different centers for coordination. Reactions of [M(CO)₆], M = Cr, Mo or W with IBTH₂ in THF under reduced pressure were studied. For chromium a complex with molecular formula [Cr(ITP)₂] was isolated; where ITP is the opened form of the ligand which occurred through C_spiro–S bond, while [Mo(CO)₅(IBTH₂)] and [W(CO)₅(IBTH₂)] were isolated from the reaction of IBTH₂ with molybdenum and tungsten carbonyls, respectively. All complexes were characterized by elemental analysis, IR, mass and ¹H NMR spectroscopy. The biological activity of the ligand and its complexes were studied and compared with the parent compound isatin.