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Optically addressable spin defects in wide-bandage semiconductors as promising systems for quantum information and sensing applications have attracted more and more attention recently. Spin defects in two-dimensional materials are supposed to have unique superiority in quantum sensing since their atomatic thickness. Here, we demonstrate that the negatively boron charged vacancy (V$ _\text{B}^{-} $) with good spin properties in hexagonal boron nitride can be generated by ion implantation. We carry out optically detected magnetic resonance measurements at room temperature to characterize the spin properties of V$ _\text{B}^{-} $ defects, showing zero-filed splitting of $ \sim $ 3.47 GHz. We compare the photoluminescence intensity and spin properties of V$ _\text{B}^{-} $ defects generated by different implantation parameters, such as fluence, energy and ion species. With proper parameters, we can create V$ _\text{B}^{-} $ defects successfully with high probability. Our results provide a simple and practicable method to create spin defects in hBN, which is of great significance for integrated hBN-based devices.

Influenza A virus (IAV) poses a significant threat to human health, which calls for the development of efficient detection methods. The present study constructed a fluorescence resonance energy transfer (FRET) system based on novel fluorescent probes and graphene oxide (GO) for detecting H5N1 IAV hemagglutinin (HA). Here, we synthesized small (sub-20 nm) sandwich-structured upconversion nanoparticles (UCNPs) (SWUCNPs for short) with a high energy transfer efficiency, which allows for controlling the emitter in a thin shell. The π-π stacking interaction between the aptamer and GO shortens the distance between the fluorescent probe and the receptor, thereby realizing fluorescence resonance energy transfer (FRET). When HA is present, the aptamer enables changes in their conformations and move away from GO surface. Fluorescence signals display a linear relationship between HA quantitation in the range of 0.1-15 ng mL-1 and a limit of detection (LOD) of 60.9 pg mL-1. The aptasensor was also applicable in human serum samples with a linear range from 0.2 to 12 ng mL-1 and a limit of detection of 114.7 pg mL-1. This strategy suggested the promising prospect of the aptasensor in clinical applications because of the excellent sensing performance and sensitivity. This strategy may be promising for vitro diagnostics and provides new insights into the functioning of the SWUCNPs system.

[Image: see text] Allosteric HIV-1 integrase inhibitors (ALLINIs) have been of interest recently because of their novel mechanism of action. Strategic modifications to the C5 moiety of a class of 4-(4,4-dimethylpiperidinyl)-2,6-dimethylpyridinyl ALLINIs led to the identification of a tetrahydroisoquinoline heterocycle as a suitable spacer element to project the distal hydrophobic aryl ring. Subsequent optimization of the aryl substitutions identified 12 as an ALLINI with single-digit nanomolar inhibitory potency and low clearance across preclinical species. In preclinical toxicology studies with 12 in rats, lipid hepatocellular vacuolation was observed. Removal of the C6 methyl group resulted in GSK3839919 (22), which exhibited a reduced incidence and severity of lipid vacuolation in both in vitro assays and in vivo studies while maintaining the potency and pharmacokinetic (PK) properties of the prototype. The virology, PK, and toxicology profiles of 22 are discussed.

To study the effect of CO2 on the explosion characteristics of CH4/CO, the explosion experiments of the effect of different volume fractions of CO2 on CH4/CO deflagration were carried out by using the self-developed pipeline gas explosion experimental platform. The explosion characteristics of premixed gas are studied from the aspects of explosion peak pressure and time of reaching the peak pressure. The results show that the effect of CO on the deflagration of methane with a different volume fraction is the result of the interaction of the elementary reaction and the oxygen content in the reaction system. Two percent of the CO promoted the methane explosion in the oxygen-rich state, while it showed a damping effect in the oxygen-poor state. CO2 has different inhibitory effects on different volume fractions of methane. Experiments show that the addition of 20% CO2 can effectively inhibit the deflagration of methane. The addition of CO2 has a stronger inhibitory effect on the mixed gas of CH4/CO under the condition of poor oxygen but less on the mixed gas under the condition of rich oxygen.

Strong metal–support interaction (SMSI) is recognized as a pivotal strategy in hetereogeneous catalysis to prevent the sintering of metal nanoparticles (NPs), but issues including restriction of supports to reducible metal oxides, nonporous architecture, sintering by thermal treatment at >800 °C, and unstable nature limit their practical application. Herein, the construction of non-oxide-derived SMSI nanocatalysts based on highly crystalline and nanoporous hexagonal boron nitride (h-BN) 2D materials was demonstrated via in situ encapsulation and reduction using NaBH4, NaNH2, and noble metal salts as precursors. The as-prepared nanocatalysts exhibited robust thermal stability and sintering resistance to withstand thermal treatment at up to 950 °C, rendering them with high catalytic efficiency and durability in CO oxidation even in the presence of H2O and hydrocarbon simulated to realistic exhaust systems. More importantly, our generic strategy offers a novel and efficient avenue to design ultrastable hetereogeneous catalysts with diverse metal and support compositions and architectures., Construction of strong metal−support interaction (SMSI) based on nanoporous and highly crystalline hexagonal boron nitride (h-BN) is demonstrated via an in situ encapsulation and reduction pathway.

Visible light communication requires III-nitride LEDs with a high modulation bandwidth but have c-plane limitations. General illumination requires green/yellow III-nitride LEDs with high optical efficiency that are difficult to achieve on c-plane substrates. Micro-LEDs with a low efficiency are used to obtain a high modulation bandwidth. This paper demonstrates a record modulation bandwidth of 540 MHz for our semipolar green LEDs with a broad area. Semipolar yellow and amber LEDs with modulation bandwidths of 350 and 140 MHz, respectively, have also been reported, and are the longest wavelength III-nitride LEDs. These results agree with differential carrier lifetime measurements.

[Image: see text] The apelin receptor (APJ) is a significant regulator of cardiovascular function and is involved in heart failure and other cardiovascular diseases. (Pyr(1))apelin-13 is one of the endogenous agonists of the APJ receptor. Administration of (Pyr(1))apelin-13 increases cardiac output in preclinical models and humans. Recently we disclosed clinical lead BMS-986224 (1), a C3 oxadiazole pyridinone APJ receptor agonist with robust pharmacodynamic effects similar to (Pyr(1))apelin-13 in an acute rat pressure–volume loop model. Herein we describe the structure–activity relationship of the carboxamides as oxadiazole bioisosteres at C3 of the pyridinone core and C5 of the respective pyrimidinone core. This study led to the identification of structurally differentiated 6-hydroxypyrimidin-4(1H)-one-3-carboxamide 14a with pharmacodynamic effects comparable to those of compound 1.

[Image: see text] This work surveys a variety of diamino-heterocycles as an isosteric replacement for the piperazine substructure of our previously disclosed piperarinyl-tetrahydroisoquinoline containing CXCR4 antagonists. A late-stage Buchwald coupling route was developed for rapid access to final compounds from commercial building blocks. Among 13 analogs in this study, compound 31 embodying an aza-piperazine linkage was found to have the best overall profile with potent CXCR4 inhibitory activity and favorable in vitro absorption, distribution, metabolism, and excretion (ADME) properties. An analysis of the calculated physiochemical parameters (ROF, cLogD) and the experimental ADME attributes of the analogs lead to the selection of 31 for pharmacokinetic studies in mice. Compared with the clinical compound AMD11070, compound 31 has no CYP450 3A4 or 2D6 inhibition, higher metabolic stability and PAMPA permeability, greatly improved physiochemical parameters, and superior oral bioavailability (%F = 24). A binding rationale for 31 within CXCR4 was elucidated from docking and molecular simulation studies.

13 pags., 7 figs., Severe and persistent haze events in northern China, characterized by high loading of fine aerosol especially of secondary origin, negatively impact human health and the welfare of ecosystems. However, current knowledge cannot fully explain the formation of this haze pollution. Despite field observations of elevated levels of reactive halogen species (e.g., BrCl, ClNO, Cl, HBr) at several sites in China, the influence of halogens (particularly bromine) on haze pollution is largely unknown. Here, for the first time, we compile an emission inventory of anthropogenic bromine and quantify the collective impact of halogens on haze pollution in northern China. We utilize a regional model (WRF-Chem), revised to incorporate updated halogen chemistry and anthropogenic chlorine and bromine emissions and validated by measurements of atmospheric pollutants and halogens, to show that halogens enhance the loading of fine aerosol in northern China (on average by 21%) and especially its secondary components (∼130% for secondary organic aerosol and ∼20% for sulfate, nitrate, and ammonium aerosols). Such a significant increase is attributed to the enhancement of atmospheric oxidants (OH, HO, O, NO, Cl, and Br) by halogen chemistry, with a significant contribution from previously unconsidered bromine. These results show that higher recognition of the impact of anthropogenic halogens shall be given in haze pollution research and air quality regulation., This study received funding from the European Research Council Executive Agency under the European Union’s Horizon 2020 Research and Innovation Programme (Project ERC-2016- COG 726349 CLIMAHAL) and the Hong Kong Research Grants Council (Project T24-504/17-N and APolyU502/16). CU team is funded by NSF AGS-1822664. X.F. acknowledges the financial support of the Scientific Research Start-up Funds from Tsinghua Shenzhen International Graduate School (QD2021015C). The development and maintenance of the WRF-Chem model are conducted by NOAA/ESRL/GSD in active collaboration with other institutes. Computing resources, support, and data storage were provided by the Climate Simulation Laboratory at NCAR’s Computational and Information Systems Laboratory (CISL), sponsored by the NSF.

Antiviral treatments of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) have been extensively pursued to conquer the pandemic. To inhibit the viral entry to the host cell, we designed and obtained three peptide sequences via quartz crystal microbalance measurement screening, which showed high affinity at nanomole to the S1 subunit of the spike protein and wild-type SARS-CoV-2 pseudovirus. Circular dichroism spectroscopy measurements revealed significant conformation changes of the S1 protein upon encounter with the three peptides. The peptides were able to effectively block the infection of a pseudovirus to 50% by inhibiting the host cell lines binding with the S1 protein, evidenced by the results from Western blotting and pseudovirus luciferase assay. Moreover, the combination of the three peptides could increase the inhibitory rate to 75%. In conclusion, the three chemically synthetic neutralizing peptides and their combinations hold promising potential as effective therapeutics in the prevention and treatment of COVID-19.

Layered semiconductor gallium telluride (GaTe) undergoes a rapid structural transition to a degraded phase in ambient conditions, limiting its utility in devices such as optical switches. In this work, we demonstrate that the degradation process in GaTe flakes can be slowed down dramatically via encapsulation with graphene. Through examining Raman signatures of degradation, we show that the choice of substrate significantly impacts the degradation rate and that the process is accelerated by the transfer of GaTe to hydrophilic substrates such as SiO2/Si. We find that double encapsulation with both top and bottom graphene layers can extend the lifetime of the material for several weeks. The photoresponse of flakes encapsulated in this way is only reduced by 17.6 ± 0.4% after 2 weeks, whereas unencapsulated flakes display no response after this time. Our results demonstrate the potential for alternative, van der Waals material-based passivation strategies in unstable layered materials and highlight the need for careful selection of substrates for 2D electronic devices.

Biocomposites from bio-based poly(butylene succinate) (BioPBS) and grape pomace (GP) were made by melt extrusion–injection molding. Grape pomace is a low value byproduct from the wine industry that can be utilized as a filler to increase its value and to decrease the amount of polymer required in a composite blend. Experiments were performed with up to 50% grape pomace by weight. Composites were also compatibilized with in situ manufactured maleic anhydride-grafted BioPBS (MA-g-BioPBS). Flexural and impact strength were improved with the addition of GP up to the addition of 50 wt % GP, suggesting that at this loading the formulation reached threshold performance. The blend of (57:40:3) BioPBS/GP/MA-g-BioPBS showed the best overall performance in terms of a balance of both mechanical properties and thermal properties. The increase in impact resistance confirmed that the GP acted as a reinforcing phase. The addition of 3 wt % MA-g-BioPBS in samples containing 40 wt % of grape pomace resulted in improvements of 28.4 and 59% in flexural and impact strengths, respectively, compared to neat BioPBS. Heat distortion temperature increased with the addition of grape pomace by 14.3% in a blend combination of 57% BioPBS, 40% grape pomace, and 3% MA-g-BioPBS compared to neat BioPBS. Scanning electron microscopy results show improved interfacial adhesion with the addition of MA-g-BioPBS and thermogravimetric analysis results prove that the GP is thermally stable under the processing conditions. This study shows that GP can be successfully incorporated into a BioPBS matrix to create biocomposites with improved thermal and mechanical properties.

Nanostructured graphene has been widely studied in recent years due to the tunability of its electronic properties and its associated interest for a variety of fields, such as nanoelectronics and spintronics. However, many of the graphene nanostructures of technological interest are synthesized under ultrahigh vacuum, and their limited stability as they are brought out of such an inert environment may compromise their applicability. In this study, a combination of bond-resolving scanning probe microscopy (BR-SPM), along with theoretical calculations, has been employed to study (3,1)-chiral graphene nanoribbons [(3,1)-chGNRs] that were synthesized on a Au(111) surface and then exposed to oxidizing environments. Exposure to the ambient atmosphere, along with the required annealing treatment to desorb a sufficiently large fraction of contaminants to allow for its postexposure analysis by BR-SPM, revealed a significant oxidation of the ribbons, with a dramatically disruptive effect on their electronic properties. More controlled experiments avoiding high temperatures and exposing the ribbons only to low pressures of pure oxygen show that also under these more gentle conditions the ribbons are oxidized. From these results, we obtain additional insights into the preferential reaction sites and the nature of the main defects that are caused by oxygen. We conclude that graphene nanoribbons with zigzag edge segments require forms of protection before they can be used in or transferred through ambient conditions., We acknowledge funding from the European Union’s Horizon 2020 program (Grant Agreement No. 635919), from the Spanish Agencia Estatal de Investigación (Grant Nos. PID2019-107338RB-C62 and PID2019-107338RB-C63), Gobierno Vasco (PIBA_2020_1_0036), Consejo Superior de Investigaciones Científicas (CSIC, LINKC20002), Xunta de Galicia (Centro Singular de Investigación de Galicia, 2019–2022, ED431G 2019/03), from the European Regional Development Fund-ERDF, from Praemium Academie of the Academy of Science of the Czech Republic (GACR project no. 20-13692X), and CzechNanoLab Research Infrastructure supported by MEYS CR (LM2018110).

A unique asymmetric bow-tie poly(amidoamine) (PAMAM) dendrimer (ABTD) scaffold was designed and developed as a well-defined macromolecular carrier for tumor-targeted drug delivery. The ABTD scaffold in this study consists of a G3-half-dendron (G3-HD) unit and a G1-half-dendron (G1-HD) unit, bearing thiol moiety in each unit and a bis(maleimide) linker unit, which undergo sequential thiol–maleimide coupling to assemble the scaffold. This assembly methodology is applicable to all other combinations of different generations of PAMAM dendrimers. In the prototype ABTD in this study, 16 biotin moieties were tethered to the G3-HD unit and 4 payloads (new-generation taxoid) to the G1-HD via a self-immolative linker to form an ABTD-tumor-targeting conjugate (ABTD-TTC-1). Two other ABTD-TTCs were synthesized, wherein the G1-HD unit was tethered to a fluorescence-labeled taxoid or to a fluorescent probe. These three ABTD-TTCs were constructed by using a common key ABTD 6 bearing a terminal acetylene group in the G1-HD unit, which was fully characterized as a single molecule by high-resolution mass spectrometry and NMR despite its high molecular weight (Mw: 12 876). Then, the click reaction was employed to couple ABTD 6 with a small-molecule payload or fluorescence probe unit bearing a terminal azide moiety. ABTD-TTC-3, as a surrogate of ABTD-TTC-2, showed substantially enhanced internalization into two cancer cell lines via receptor-mediated endocytosis, attributed to multibinding effect. ABTD-TTC-1 exhibited a remarkable selectivity to cancer cells (1400–7500 times) compared to human normal cells, which demonstrates the salient feature and bright prospect of the ABTD-based tumor-targeted drug-delivery system.

The attachment of two different functionalities in a site-selective fashion represents a great challenge in protein chemistry. We report site specific dual functionalizations of peptides and proteins capitalizing on reactivity differences of cysteines in their free (thiol) and protected, oxidized (disulfide) forms. The dual functionalization of interleukin 2 and EYFP proceeded with no loss of bioactivity in a stepwise fashion applying maleimide and disulfide rebridging allyl-sulfone groups. In order to ensure broader applicability of the functionalization strategy, a novel, short peptide sequence that introduces a disulfide bridge was designed and site-selective dual labeling in the presence of biogenic groups was successfully demonstrated.

Controlling the membrane surface properties such as hydrophobicity and hydrophilicity is critical to achieving desirable performance. For a long time, the difference between the surface wettabilities of superhydrophilic poly(m-phenylene isophthalamide) (PMIA) electrospun nanofibrous membranes (ESMs) and the superhydrophobic parent material is believed to arise from the poling effect induced by the electrospinning process and wicking caused by the porous membrane structure. In this study, the short-term poling effect was eliminated using a reference, centrifugally spun nanofibrous membrane that has a similar fiber morphology and specific surface area to those of the ESM; consequently, we investigated the changes in the surface properties of the ESM in detail. Chemical analysis by angle-resolved X-ray photoelectron spectroscopy revealed that the N and O concentrations are greater at the surface of the ESM. In addition, analysis of the membranes by attenuated total reflectance Fourier-transform infrared spec...

Carbon nanothreads are a new one-dimensional sp^3-bonded nanomaterial of CH stoichiometry synthesized from benzene at high pressure and room temperature by slow solid-state polymerization. The resulting threads assume crystalline packing hundreds of micrometers across. We show high-resolution electron microscopy (HREM) images of hexagonal arrays of well-aligned thread columns that traverse the 80–100 nm thickness of the prepared sample. Diffuse scattering in electron diffraction reveals that nanothreads are packed with axial and/or azimuthal disregistry between them. Layer lines in diffraction from annealed nanothreads provide the first evidence of translational order along their length, indicating that this solid-state reaction proceeds with some regularity. HREM also reveals bends and defects in nanothread crystals that can contribute to the broadening of their diffraction spots, and electron energy-loss spectroscopy confirms them to be primarily sp^3-hybridized, with less than 27% sp^2 carbon, most likely associated with partially saturated “degree-4” threads.