摘要：Large Hollow nanoparticulate aggregates（LHNAs） based on albumin nanoparticles is a promising technology for developing dry powder inhaler（DPI） with good aerodynamic properties in order to provide a new drug delivery system（DDS） for the treatment of lung disease. Improved understanding of molecular interactions could lead to prepare the DDS rationally. Therefore, this investigation utilized computations and experiments to reveal the mechanisms of budesonide（BUD） interactions with bovine serum albumin（BSA） at the molecular level. The molecular dynamics（MD） simulation revealed that there were three critical stable binding sites of BUD on BSA（P1, P2, P3） mainly by hydrophobic interaction and hydrogen bond. The energy decomposition of each residue to the whole BUD-BSA complex system in P1-P3 showed that nonpolar residues in or around the binding site played an important role in the binding of BUD to BSA. The molar ratio was close to 3 in preparations in drug-loading efficiency experiment, which was confirmed to the simulation results. The details of the binding sites from computation provided a guideline for the design of the BSA nanoparticles carrying BUD, which was prepared successfully at last. Combination of the MD simulation and experiment as well as the mechanism of the molecular interaction provided a solid theoretical basis for the preparation of BSA-LHNAs for DPI in the future.

摘要：Advanced oxidation processes(AOPs) have been applied to address multiple environmental concerns including antibiotic resistance genes(ARGs). ARGs have shown an increasing threat to human health,and they are either harbored by antibiotic-resistant bacteria(ARB) or free in the ***, the control of ARGs has been substantially limited by their low concentration and the limited knowledge about their interfacial behavior. Herein, a novel AOP catalyst, Ag/TiO_(2)/graphene oxide(GO),combined with a polyvinylidene fluoride(PVDF) ultrafiltration membrane was designed with a synergistic interfacial adsorption and oxidation function to inactivate ARGs with high efficiency in both model solutions and in secondary wastewater effluent, especially when the residue concentration was *** analysis showed that the mineralization of bases and phosphodiesters mainly caused the inactivation of ARGs. Moreover, the interfacial adsorption and oxidation processes of ARGs were studied at the molecular level. The results showed that GO was rich in sp^(2) backbones and functional oxygen groups,which efficiently captured and enriched the ARGs via p-p interactions and hydrogen bonds. Therefore,the photogenerated active oxygen species attack the ARGs by partially overcoming the kinetic problems in this process. The Ag/Ti O2/GO catalyst was further combined with a PVDF membrane to test its potential in wastewater treatment applications. This work offers an efficient method and a corresponding material for the inactivation and mineralization of intra/extracellular ARGs. Moreover, the molecularlevel understanding of ARG behaviors on a solid–liquid interface will inspire further control strategies of ARGs in the future.

摘要：Sintering inhibition of a catalyst at high temperatures is a challenge during heterogeneous catalysis. In this paper, we report that hexagonal boron nitride(h-BN) is an optimal material for anti-sintering γ-Al_(2)O_(3)-supported Pt nanoparticles(NPs) originating from the high thermal conductivity of h-BN. The high thermal conductivity of h-BN ensures maximal heat dissipation from Pt NPs to γ-Al_(2)O_(3),thereby causing both Ostwald ripening and particle coalescence of Pt NPs to be decelerated at elevated *** of Pt NP sintering is also shown in the reducible TiO^(2-)supported Pt NPs with the help of h-BN. The proposed anti-sintering strategy using thermal management is universal, providing new insight into the design of anti-sintering materials and structures for a wide range of applications in heterogeneous catalysis.

摘要：Pressing need goes ahead for accessing freshwater in insufficient supply countries and regions,which will become a restrictive factor for human development and *** recent years,solar-driven water evaporation(SDWE)systems have attracted increasing attention for their specialty in no consume conventional energy,pollution-free,and the high purity of fresh *** particular,carbon-based photothermal conversion materials are preferred light-absorbing material for SDWE systems because of their wide range of spectrum absorption and high photothermal conversion efficiency based on superconjugate *** now,many carbon-based SDWE systems have been reported,and various structures emerged and were designed to enhance light absorption,optimize heat management,and improve the efficient water transport *** this review,we attempt to give a comprehensive summary and discussions of structure progress of the carbon-based SDWE systems and their working mechanisms,including carbon nanoparticles systems,single-layer photothermal membrane systems,bi-layer structural photothermal systems,porous carbon-based materials systems,and three dimensional(3D)*** these systems,the latest 3D systems can expand the light path by allowing light to be reflected multiple times in the microcavity to increase the light absorption rate,and its large heat exchange area can prompt more water to evaporate,which makes them the promising application *** hope our review can spark the probing of underlying principles and inspiring design strategies of these carbonbased SDWE systems,and further guide device optimizations,eventually promoting in extensive practical applications in the future.

摘要：In situ studies of catalysts play valuable roles in observing phase transformation, understanding the corresponding surface chemistry and the mechanism of the reaction. In this paper, ceria promoted cobalt oxide was prepared by the calcination method and investigated for the CO oxidation. The microstructure and morphology of CeO2-Co3O4 were investigated by the Scanning Electron Microscope, High-resolution transmission electron microscopy, Raman and X-ray photoelectron spectroscopy characterization. The effect of CeO2 doping on Co3O4 for CO oxidation was characterized by in situ X-ray Diffraction (in situ XRD) and in situ diffuse reflectance infrared Fourier transform spectroscopy (in situ DRIFTS). In situ XRD was carried out under H2 atmosphere to evaluate the redox property of catalysts. The results indicated that the ceria doping can enhance the reducibility of Co2+ and promote the Co3+-Co2+-Co3+ cycle, owing to the oxygen replenish property of CeO2. Furthermore, adsorbed carbonate species on the surface of CeO2-Co3O4 were investigated by in situ-DRIFTS experiment. It was turned out that carbonate species on ceria promoted cobalt oxide catalysts showed different IR peaks compared with pure cobalt oxide. The carbonate species on ceria promoted catalyst are more active, and similar to free state carbonate species with weak bonding to catalyst surface, which can effectively inhibit catalyst inactivation. This study revealed the mechanism of ceria promoting CO oxidation over cobalt oxide, which will provide theoretical support for the design of efficient CO oxidation catalysts.

摘要：Sub-1 nm nanowires(SNWs) can not only be processed like polymers due to their polymer-analogue properties but also show multifunctions owing to their well-manipulated compositions and structures. Rationally designed and engineered multicomponent heterostructure SNWs can further enhance their multifunction performance while it is very challenging to achieve such SNWs at ***, we synthesized Bi_(2)O_(3)-polyoxometalate heterostructure SNWs(PMB SNWs), and fabricated super-aligned PMB SNWs films(S-PMB SNWs films), which can serve as interlayers to efficiently suppress lithium polysulfide(LPS)shuttling, intrinsically promote the redox kinetics of the LPS conversion and substantially protect the Li anode. The lithium-sulfur(Li-S) battery with the S-PMB SNWs film as the interlayer showcases an ultralow capacity decay rate with 0.013% per cycle over 850 cycles. This study demonstrates the potential of heterostructure SNWs to improve the performance of Li-S batteries.

摘要：Developing efficient electrocatalysts for the oxygen evolution reaction(OER)under neutral conditions is important for microbial electrolysis cells(MECs).However,the OER kinetics in neutral electrolytes at present are extremely sluggish,resulting in high overpotentials that greatly limit the energy conversion efficiencies of *** studies failed to probe the adsorbates on surface metal sites of catalysts at the atomic scale and elucidate their influence on the catalytic activities,which has impeded the rational design of efficient neutral OER catalysts with optimal surface ***,using in situ transmission electron microscopy(TEM),in situ X-ray photoelectron spectroscopy(XPS)and in situ low-energy ion scattering studies,we have identified,for the first time,that the electrochemically activated adsorbates on surface metal sites play a critical role in boosting the neutral OER activities of Ru-Ir binary oxide(RuxIryO2)*** adsorbate-activated RuxIryO2on a glassy carbon electrode achieved a low overpotential of 324 m V at10 m A cm-2in neutral electrolyte,with a 36-fold improvement in turnover frequency compared with that of Ir *** application in an MEC system,the resulting full cell showed a decreased voltage of 1.8 V,200 m V lower than the best value reported to date,facilitating efficient synthesis of poly(3-hydroxybutyrate)from bioelectrochemical *** functional theory(DFT)studies revealed that the enhanced OER activity of RuxIryO2catalyst arose from local structural distortion of adjacent adsorbate-covered Ru octahedra at the catalyst surface and the consequently decreased adsorption energies of OER intermediates on Ir active center.

摘要：Regulating interlayer distance is a crucial factor in the development of two‐dimensional(2D)nanomaterials.A 2D metal‐free photocatalyst,such as graphitic carbon nitride(g‐C3N4),exhibits morphology‐and microstructure‐dependent photocatalytic ***,we report a straightforward and facile route for the preparation of unique lamellar g‐C3N4,by co‐firing melamine and ammonium chloride via microwave‐assisted *** the decomposition of NH4Cl,the evaporation of NH3 gas can effectively overcome van der Waals forces,expanding the interlayer distance of g‐C3N4,thereby creating a lamellar structure consisting of *** with bulk g‐C3N4,the NH3‐derived lamellar g‐C3N4 exhibits a larger specific surface area and enhanced optical absorption capability,which increase photocatalytic hydrogen production because of the highly active structure,excellent utilization efficiency of photon energy,and low recombination efficiency of photogenerated charge *** study provides a simple strategy for the regulation of the g‐C3N4 microstructure toward highly efficient photocatalytic applications.

摘要：We have designed and synthesized NaGdF4：Nd^3＋, Yb^3＋, Tm^3＋. magnetic nano- phosphors with combined dual-mode downconversion （DC） and upconversion （UC） photoluminescence upon 800 run excitation. Hexagonal-phase NaGdF4：Nd^3＋, Yb^3＋, Tm^3＋ nanocrystals （NCs） with an average size of 21 nm were synthesized using a solvothermal approach. Nd^3＋, Yb^3＋, Tm^3＋ triple-doped NaGdF4 NCs exhibit a broad range of photoluminescence peaks covering a near infrared first/second window （860-900, 1,000, and 1,060 nm）, and visible emission including blue （475 nm）, green （520 and 542 nm） and yellow （587 nm） after excitation at 800 nm. A mechanism involving circulation of energy over Gd^3＋ sublattices as bridge ions and final trapping by the initial activator ions （Nd^3＋） has been proposed. Penetration depth studies indicate that NIR emission is easily detected even at a large tissue thickness of 10 mm. These paramagnetic nanophosphors demonstrate a large magnetization value of 1.88 emu/g at 20 kOe and longitudinal relaxivity value of 1.2537 mM-1.S-1 as a Tl-weighted magnetic resonance imaging contrast agent. These NaGdF4：Nd^3＋, Yb^3＋ Tm^3＋ NCs are promising for applications in biological and magnetic resonance imaging.

摘要：Pt based materials are the most efficient electrocatalysts for the oxygen reduction reaction(ORR)and methanol oxidation reaction(MOR)in fuel *** the utilization of Pt based materials by modulating their morphologies to expose more active sites is a fundamental objective for the practical application of fuel ***,we report a new class of hierarchically skeletal Pt-Ni nanocrystals(HSNs)with a multi-layered structure,prepared by an inorganic acid-induced solvothermal *** addition of H_(2)SO_(4)to the synthetic protocol provides a critical trigger for the successful growth of Pt-Ni nanocrystals with the desired *** Pt-Ni HSNs synthesized by this method exhibit enhanced mass activity of 1.25 A mgpt−1 at 0.9 V(versus the reversible hydrogen electrode)towards ORR in 0.1-M HClO_(4),which is superior to that of Pt-Ni multi-branched nanocrystals obtained by the same method in the absence of inorganic acid;it is additionally 8.9-fold higher than that of the commercial Pt/C ***,it displays enhanced stability,with only 21.6%mass activity loss after 10,000 cycles(0.6–1.0 V)for ***,the Pt-Ni HSNs show enhanced activity and anti-toxic ability in CO for *** superb activity of the Pt-Ni HSNs for ORR and MOR is fully attributed to an extensively exposed electrochemical surface area and high intrinsic activity,induced by strain effects,provided by the unique hierarchically skeletal alloy *** novel open and hierarchical structure of Pt-Ni alloy provides a promising approach for significant improvements of the activity of Pt based alloy electrocatalysts.