Tunable topological electronic states in the honeycomb-kagome lattices of nitrogen/oxygen-doped graphene nanomeshes.

The rich and exotic electronic properties of graphene nanomeshes (GNMs) have been attracting interest due to their superiority to pristine graphene. Using first-principles calculations, we considered three graphene meshes doped with nitrogen and oxygen atoms (CN, CN and CO). The electronic band structures of these GNMs in terms of the proximity of the Fermi level featured a two-dimensional (2D) honeycomb-kagome lattice with concurrent kagome and Dirac bands.

Spontaneous DNA translocation through a van der Waals heterostructure nanopore for single-molecule detection.

Solid-state nanopore detection and sequencing of a single molecule offers a new paradigm because of its several well-recognized features such as long reads, high throughput, high precision and direct analyses. However, several key technical challenges are yet to be addressed, especially the abilities to control the speed and direct the translocation of the target molecules. In this work, using molecular dynamics (MD) simulations, we found a spontaneous translocation of single-stranded DNA (ssDNA) through a van der Waals (vdW) heterostructure nanopore formed by stacking two graphenic materials, namely those of BC and CN.

Total synthesis of glycans with antitumor activities stereoselective α-glycosylation and orthogonal one-pot glycosylation strategies.

The accessibility to long, branched and complex glycans containing many 1,2- glycosidic linkages with precise structures remains a challenging task in chemical synthesis. Reported here is an efficient, stereoselective and orthogonal one-pot synthesis of a tetradecasaccharide and shorter sequences from polysaccharides with antitumor activities. The synthetic strategy consists of: (1) newly developed merging reagent modulation and remote anchimeric assistance (RMRAA) α-(1→6)-galactosylation in a highly stereoselective manner, (2) DMF-modulated stereoselective α-(1→3)-glucosylation, (3) RMRAA stereoselective α-(1→6)-glucosylation, (4) several orthogonal one-pot glycosylations on the basis of -phenyltrifluoroacetimidate (PTFAI) glycosylation, Yu glycosylation and -(1-phenylvinyl)benzoate (PVB) glycosylation to streamline oligosaccharide synthesis, and (5) convergent [7 + 7] glycosylation for the final assembly of the target tetradecasaccharide.

Photocatalytic hydrogen production and storage in carbon nanotubes: a first-principles study.

As it is a promising clean energy source, the production and storage of hydrogen are crucial techniques. Here, based on first-principles calculations, we proposed an integral strategy for the production and storage of hydrogen in carbon nanotubes photocatalytic processes. We considered a core-shell structure formed by placing a carbon nitride nanowire inside a carbon nanotube to achieve this goal.

Single-atom cobalt-hydroxyl modification of polymeric carbon nitride for highly enhanced photocatalytic water oxidation: ball milling increased single atom loading.

Expediting the oxygen evolution reaction (OER) is the key to achieving efficient photocatalytic overall water splitting. Herein, single-atom Co-OH modified polymeric carbon nitride (Co-PCN) was synthesized with single-atom loading increased by ∼37 times with the assistance of ball milling that formed ultrathin nanosheets. The single-atom Co-NOH structure was confirmed experimentally and theoretically and was verified to enhance optical absorption and charge separation and work as the active site for the OER.

Polarity-based fluorescence probes: properties and applications.

Local polarity can affect the physical or chemical behaviors of surrounding molecules, especially in organisms. Cell polarity is the ultimate feedback of cellular status and regulation mechanisms. Hence, the abnormal alteration of polarity in organisms is closely linked with functional disorders and many diseases.

Wireless Localized Electrical Stimulation Generated by an Ultrasound-Driven Piezoelectric Discharge Regulates Proinflammatory Macrophage Polarization.

Proinflammatory (M1) macrophages play a vital role in antitumor immunity, and regulation of proinflammatory macrophage polarization is critical for immunotherapy. The polarization of macrophages can be regulated by biological or chemical stimulation, but investigations of the regulatory effect of physical stimulation are limited. Herein, regulating macrophage polarization with localized electrical signals derived from a piezoelectric -phase poly(vinylidene fluoride) (-PVDF) film in a wireless mode is proposed.

Anodic oxidation triggered divergent 1,2- and 1,4-group transfer reactions of β-hydroxycarboxylic acids enabled by electrochemical regulation.

We report a set of electrochemically regulated protocols for the divergent synthesis of ketones and β-keto esters from the same β-hydroxycarboxylic acid starting materials. Enabled by electrochemical control, the anodic oxidation of carboxylic acids proceeded in either a one-electron or a two-electron pathway, leading to a 1,4-aryl transfer or a semipinacol-type 1,2-group transfer product with excellent chemoselectivity. The 1,4-aryl transfer represents an unprecedented example of carbon-to-oxygen group transfer proceeding a radical mechanism.

Interface-enhanced CO capture the synthetic effects of a nanomaterial-supported ionic liquid thin film.

Ionic liquids (ILs) are effective CO capture media and recent experimental evidence has demonstrated that the addition of two-dimensional (2D) nanomaterials into ILs can effectively improve their CO capturing capability. However, an in-depth mechanism on how 2D nanomaterials enhance CO absorption is poorly documented. In this study, the adsorption of CO by a representative IL, namely 1-ethyl-3-methyl-imidazole-tetrafluoroborate ([EMIM][BF]), coated on graphene (GRA, the prototype 2D nanomaterial) and nitrogenized graphene (CN) was investigated by molecular dynamics simulations.

Tuning the binding behaviors of a protein YAP65WW domain on graphenic nano-sheets with boron or nitrogen atom doping.

In recent years, nanomaterials have attracted considerable research attention for biological and medical related applications due to their well-recognized physical and chemical properties. However, the deep understanding of the binding process at the protein-nanomaterial interface is essential to solve the concern of nano-toxicity. Here, we study the interactions between the recently reported graphenic nano-sheets, BC and CN, and a prototypical protein (YAP65WW domain) atomistic molecular dynamics simulations.

Direct chemical vapor deposition of graphene on plasma-etched quartz glass combined with Pt nanoparticles as an independent transparent electrode for non-enzymatic sensing of hydrogen peroxide.

In this work, chemical vapor deposition (CVD) method-grown graphene on plasma-etched quartz glass supported platinum nanoparticles (PtNPs/eQG) was constructed as an independent transparent electrode for non-enzymatic hydrogen peroxide (HO) detection. Graphene grown on quartz glass by the CVD method can effectively reduce the wrinkles and pollution caused by traditional transfer methods. The addition of the CF plasma-etched process accelerates the growth rate of graphene on quartz glass.

Understanding CO capture kinetics and energetics by ionic liquids with molecular dynamics simulation.

Room temperature ionic liquids (ILs) are recognized to be potential media for CO capture, but the interaction nature is less documented which hinders the future development of ILs with high CO solvation capability. Here, through all atom molecular dynamics (MD) simulations, the solvation process of CO with four representative ILs, [EMIM][BF], [BMIM][BF], [EMIM]CL and [BMIM]CL was systematically studied. Our data clearly reflect the fact that hydrophobic components from both cations and anions dominate CO solvation because IL-CO attraction is mainly driven by the van der Waals attractions.

Birnessite-coated sand filled vertical flow constructed wetlands improved nutrients removal in a cold climate.

At low temperature, plants wither and microbial activities decrease, leading to a decline in the pollutant-treatment performance of constructed wetlands (CWs). In this study, vertical flow CWs (VFCWs) with birnessite (Mn oxides)-coated sand (Mn-CWs) were developed to investigate the pollutant removal performance and mechanism in a cold climate. The results showed that the average removal efficiencies for NH-N, NO-N, TN, and TP were 73.

Promotion of Overall Water Splitting Activity Over a Wide pH Range by Interfacial Electrical Effects of Metallic NiCo-nitrides Nanoparticle/NiCoO Nanoflake/graphite Fibers.

Many efforts have been made to develop bifunctional electrocatalysts to facilitate overall water splitting. Here, a fibrous bifunctional 3D electrocatalyst is reported for both the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) with high performance. The remarkable electrochemical performance is attributed of the catalysts to a number of factors: the metallic character of the three components (i.

Novel caged luciferin derivatives can prolong bioluminescence imaging and .

Based on -cyclobutylaminoluciferin (cybLuc), a set of high and efficient caged bioluminescent derivatives (Clucs) as firefly luciferase pro-substrates has been developed herein. After careful examination, these molecules exhibited low cytotoxicity and prolonged bioluminescence imaging up to 6 h and . Importantly, these caged luciferin derivatives have the potential to serve as long-term tracking tools to explore some biological process by using bioluminescent imaging.