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[Display omitted] • Spontaneous curvatures of Janus TMD nanoribbons are obtained by molecular statics simulations. • PGE of spontaneously curled Janus TMD photodetector with non-collinear electrodes is investigated by NEGF-DFT. • PGE photocurrent is enhanced by the spontaneous curling of Janus TMDs due to the reduction of symmetry. Enhancement of photogalvanic effect (PGE) in two-dimensional materials is of great importance for nanoscale self-powered optoelectronic devices. In this paper, we systematically investigate the generation of PGE photocurrent in six Janus transition metal dichalcogenides (MXY, M = Mo,W, X,Y = S,Se,Te) based on the quantum transport simulations. The proposed photodetectors along zigzag and armchair directions with non-collinear electrodes are built based on spontaneous curvatures of Janus TMDs. The spontaneous curling is induced by the relaxation of intrinsic strain in Janus TMDs and the curvatures are determined by molecular simulations. Vertically illuminated by linearly polarized light, PGE photocurrents can be observed in Janus TMDs with both curled and planar structure. The influences of polarization angle and photon energy on the photocurrents are quantitatively demonstrated. The photocurrents are largely amplified by more than 1 order of magnitude on average in the curled photodetector. This enhancement can be attributed to the device symmetry reduction from the C 3v to C s symmetry. We expect the results can help develop recipes for flexible two-dimensional optoelectronic devices. [ABSTRACT FROM AUTHOR]

We propose a design of reciprocal optical diode based on asymmetric spatial mode conversion in multimode silicon waveguide on the silicon-on-insulator platform. The design possesses large bandwidth, high contrast ratio and high fabrication tolerance. The forward even-to-odd mode conversion and backward blockade of even mode are achieved by partial depth etching in the functional region. Simulated by three-dimension finite-difference time-domain method, the forward transmission efficiency is about −2.05 dB while the backward transmission efficiency is only −22.68 dB, reaching a highest contrast ratio of 0.983 at the wavelength of 1550 nm. The operational bandwidth is up to 200 nm (from 1450 nm to 1650 nm) with contrast ratio higher than 0.911. The numerical analysis also demonstrates that the proposed optical diode possesses high tolerance for geometry parameter errors which may be introduced in fabrication. The design based on partial depth etching is compatible with CMOS process and is expected to contribute to the silicon-based all-optical circuits. [ABSTRACT FROM AUTHOR]

This study presents the effect of Er 3+ substitution for Fe 3+ at low concentrations on the structural, magnetic, and magnetostrictive properties of cobalt ferrite synthesized by sol–gel method using spent Li-ion batteries as raw materials. The XRD results confirm the formation of pure-phase cubic spinel structure with average crystallite sizes of 24.8–41.5 nm as obtained through the Scherrer formula. Although Er 3+ substitution does not show any observable changes in morphology, the magnetic and magnetostrictive properties are strongly affected. Density measurements obtained by the Archimedes method reveal that the bulk density decreases and the porosity increases with Er 3+ substitution because of the formation of intragranular pores during sintering. The saturation magnetization and coercivity of the samples obtained with a vibrating sample magnetometer are influenced by the incorporation of Er 3+ at the B-sites. Magnetostriction and strain derivative curves show that Er 3+ substitution makes cobalt ferrite more suitable for advanced magnetomechanical stress sensors and energy-efficient actuator devices. [ABSTRACT FROM AUTHOR]

Passive cooling, which cools without any electricity input, has had a great impact on global energy consumption. The recent progress on radiative cooling has many potential applications in efficient passive cooling. During the day, this strategy uses the maximized infrared emissivity via the atmospheric transparency windows for radiating heat and minimizing solar absorption. However, the realization of daytime radiative coolers with ideal selective mid-infrared emissivity is still a great challenge. Here, we firstly design and numerically demonstrate a near-ideal radiative cooler operating below the ambient temperature, achieving both broadband selective emissivity in the infrared atmospheric window and extremely low absorption in the entire solar spectrum, realizing a net cooling power exceeding 122 W/m 2 at ambient temperature. The cooling effect can still persist under significant nonradiative heat exchange conditions. The design of multi-layer all-dielectric micropyramid structure in this work not only solves the shortcoming of poor mid-infrared selectivity in planar photonics device, but also overcomes the disadvantage of high solar absorption in metal/dielectric metamaterials. The comparisons of physics mechanism between this multi-layer all-dielectric structure and previously reported multi-layer metal/dielectric structure also are investigated clearly. Thus, this study can help pave the way for designing ideal daytime radiative coolers. [ABSTRACT FROM AUTHOR]

Intensive vegetable production can cause considerable environmental risks, but quantitative evaluation for a regional/crop specific system and further establishment of best management practices to reduce the environmental risks, are still lacking. In this study, based on 160 farmer survey data, we used life cycle assessment to quantify the global warming, eutrophication, acidification and energy depletion potentials for pepper production in southwest China, and further to identify the key measures to reduce the environmental impacts by evaluating the effects of various nutrient management practices among farmers. Results showed that the mean total global warming, eutrophication, acidification, and energy depletion potentials of the 160 farmer fields were 368 kg CO 2 -eq t −1 , 1.52 kg PO 4 -eq t −1 , 7.93 kg SO 2 -eq t −1 , and 184 kg MJ t −1 , respectively, being 2.0, 2.3, 5.5 and 0.69 times greater than the corresponding mean values for other vegetable crops in different areas of the world. Based on differences in pepper yield and nitrogen use efficiency, the 160 fields were categorized into 4 groups showing significant differences in various environmental impacts. The global warming, eutrophication, acidification, and energy depletion potentials in the high yield and high nitrogen use efficiency (HH) group were 37.3, 34.4, 33.9, and 35.5%, respectively, lower than the average of all 160 farmers' fields. Further analysis showed that the reduction in environmental risks for the HH group were mainly accounted for by lower application rates of N and P fertilizer by 6.94% and 12.2%, higher application rates of K fertilizer by 11.9%, and higher yield by 34.8%, respectively. This study highlights the importance of optimizing nutrient management in vegetable production based on farmers’ practice, which could achieve more yield with less environmental impacts, and thereby avoid the “trade-off” effect between productivity and environmental sustainability. [ABSTRACT FROM AUTHOR]

In this paper, an optimized method based on gas chromatography/time-of-flight mass spectrometry (GC-TOFMS) platform has been developed for the analysis of gut microbial-host related co-metabolites in fecal samples. The optimization was performed with proportion of chloroform (C), methanol (M) and water (W) for the extraction of specific metabolic pathways of interest. Loading Bi-plots from the PLS regression model revealed that high concentration of chloroform emphasized the extraction of short chain fatty acids and TCA intermediates, while the higher concentration of methanol emphasized indole and phenyl derivatives. Low level of organic solution emphasized some TCA intermediates but not for indole and phenyl species. The highest sum of the peak area and the distribution of metabolites corresponded to the extraction of methanol/chloroform/water of 225:75:300 (v/v/v), which was then selected for method validation and utilized in our application. Excellent linearity was obtained with 62 reference standards representing different classes of gut microbial-host related co-metabolites, with correlation coefficients ( r 2 ) higher than 0.99. Limit of detections (LODs) and limit of qualifications (LOQs) for these standards were below 0.9 nmol and 1.6 nmol, respectively. The reproducibility and repeatability of the majority of tested metabolites in fecal samples were observed with RSDs lower than 15%. Chinese rhubarb-treated rats had elevated indole and phenyl species, and decreased levels of polyamine such as putrescine, and several amino acids. Our optimized method has revealed host-microbe relationships of potential importance for intestinal microbial metabolite receptors such as pregnane X receptor (PXR) and aryl hydrocarbon receptor (AHR) activity, and for enzymes such as ornithine decarboxylase (ODC). [ABSTRACT FROM AUTHOR]

As the gold standard polymer for drug delivery system, polyethylene glycol (PEG) has excellent biocompatibility. It's reported that the low nonspecific interactions between PEG and body contribute to its biocompatibility. However, here we discover dynamic biological interactions exist between PEG and cells on the molecular level. PEG (2 kD) can induce metabolism modulations and survival autophagy by creating an intracellular hypoxic environment, which act as cellular survival strategies in response to the hypoxia. In the cellular adaption process during hypoxia, PEG-treated cells decrease energy consumption by reducing cell growth rate, increase energy supply by amino acid catabolism in a short period, and survival autophagy over a relatively long period, to keep energy homeostasis and survival. Our research provides molecular insights for understanding the mechanism underlying the excellent biocompatibility of PEG, which will be of fundamental importance for further related studies on other polymers and development of polymeric materials with improved characteristics. [ABSTRACT FROM AUTHOR]

Solubility of benzoin in three binary solvent systems of acetone + ethanol, acetone + 1-butanol, acetone + 1-propanol was measured by static analytical method ranging from 283.15 K to 318.15 K at atmospheric pressure. Density functional theory (DFT) and molecular dynamic (MD) simulation were employed to investigate relationship between solute and solvent molecules. According to results of Solvation free energy and hydrogen bond strength, the solubility of benzoin increases with increasing value of hydrogen bond strength. Radial distribution function (RDF) resulted shows that ethanol, 1-butanol, 1-propanol have an effect on the acetone aggregation in binary mixed solvents, which means it will weaken the interactions between benzoin and acetone molecules. Therefore, solubility behavior was influenced by both solute-solvent and solvent-solvent interactions. The solubility data was correlated with Apelblat equation, CNIBS/R-K equation, and λh model, respectively, and the CNIBS/R-K equation shows the best correlations in three thermodynamic equations. Thermodynamic properties of mixing enthalpy, entropy, and Gibbs energy were further estimated and their implication on dissolution process of benzoin was discussed. [ABSTRACT FROM AUTHOR]

The solid-liquid equilibrium (SLE) of l -norvaline in three different binary solvents, including water + methanol, water + ethanol and water + 2-propanol, was determined by employing a gravimetric method over temperatures from 283.15 K to 318.15 K. It is found that the equilibrium solubility of l -norvaline in the mixed solvents increases with rising temperature at constant solvent composition and decreases with the increasing molar fraction of organic solvents. Moreover, the dissolving capacity of l -norvaline in the three binary solvent mixtures at constant temperature can be ranked as (methanol + water > ethanol + water > 2-propanol + water) in general. Furthermore, a model which can be called polar equation was applied to quantitatively describe the relationship between solubility and polarity of solvent mixtures. The results demonstrate that the increasing polarity of the binary solvents can enhance the solubility of l -norvaline. Besides, the experimental solubility was well correlated by the modified Apelblat equation, λh equation, and NRTL model, with the maximum ARD % values: 1.89%, 3.48%, and 6.42%, respectively. Additionally, the mixing thermodynamic properties of l -norvaline in three binary solvent mixtures were also discussed based on the NRTL model. Results show that the mixing processes of l -norvaline are endothermic and spontaneous. [ABSTRACT FROM AUTHOR]

The electrochemical reduction of CO 2 to formic acid or formate is a promising process for addressing technological challenges of transporting and storing energy produced by intermittent renewable energy sources. However, this electrochemical CO 2 conversion process requires high overpotentials to activate CO 2 into “an energetically unfavorable” radical anion intermediate on metal electrodes under the aqueous electrolyte systems. For our present study, we introduce a novel solvent additive such as 1-ethyl-3-methylimidazolium dicyanamide ([Emim][N(CN) 2 ]) ionic liquid into the aqueous solution to increase the electrochemical reduction activity of CO 2 for the formic acid formation, to increase the CO 2 solubility, and to suppress the competitive hydrogen evolution reaction. Cyclic voltammetry is performed in an [Emim][N(CN) 2 ] aqueous solution on a Sn powder electrode to determine the onset potential of CO 2 electrolysis and its electrochemical stability. In addition, CO 2 electrolysis is carried out by chronoamperometry measurements at various fixed potentials and electrolyte concentrations to understand their effects on the faradaic efficiency for the conversion of CO 2 into the formic acid. The maximum faradaic efficiency obtained during electrolysis with a 0.5 M concentration of [Emim][N(CN) 2 ] is 81.9% towards the formation of formic acid at −1.2 V vs. RHE and at the overpotential of 1.08 V. [ABSTRACT FROM AUTHOR]

The waveguide-integrated reconfigurable power splitting is of great importance for on-chip all-optical connection. Based on the combination of silicon and Sb-based phase change materials (PCMs), a series of ultra-compact reconfigurable power splitters is topologically designed. The footprints of the functional regions are kept less than 1.0λ2. The power splitting ratio between the output channels can be reconfigured through the amorphous and crystalline switching of Sb-based PCMs. We demonstrate Sb 2 Se 3 -based and Sb 2 S 3 -based digital metamaterials for the reconfiguration between power splitting ratio of 5:5 and power splitting ratios of 5:5, 6:4, 7:3, 8:2 and 9:1. The three-dimensional FDTD simulations show that the targeted power splitting ratio can be achieved with acceptable precision. Moreover, the robustness of design is validated by introducing pixel errors. • Reconfigurable power splitter is topologically designed with pixelated Sb-based phase change materials. • The reconfiguration between splitting ratio 5:5 and splitting ratios 5:5, 6:4, 7:3, 8:2 and 9:1 are achieved. • The topology design scheme combines finite element method, density model and MMA. • The footprint of the functional region is less than λ2. [ABSTRACT FROM AUTHOR]

Solubility behavior of d -mannitol ( d -man) in pure water and four water-organic solvents from 288.15 K to 318.15 K at atmospheric pressure was studied by both phase equilibria and molecular modelling methods. A dynamic method was employed to determine the data on equilibrium, both molecular dynamic (MD) simulations and density functional theory (DFT) calculations were carried out to uncover the relationship between intermolecular interactions and solubility behavior. The MD results illustrate that the strength in hydrogen bond of solute-organic solvent captures the solubility ranking of d -man in corresponding mixed solvents, and the radial distribution function (RDF) plots indicate that organic solvents have enhancement effect on the water aggregation in solution which weakened the strong interaction between d -man and water molecules. Both of them suggest that solubility behavior not only depends on solute-solvent interaction, the solvent-solvent interaction also plays a key role in determining it. The solubility was further fitted by the modified Apelblat model, λh model, NRTL model and finally, mixing properties (enthalpy, Gibbs energy and entropy) were discussed, indicating the dissolution process is governed by both enthalpy and entropy of solution. [ABSTRACT FROM AUTHOR]

The bound state in the continuum (BIC) has drawn much attention in electromagnetics due to its infinite lifetime and quality factor. By the method of breaking the symmetry in the metasurface, the optically invisible BIC can be converted into visible quasi-BIC with ultra-high quality factor. However, symmetry-breaking metasurfaces often suffer from polarization sensitivity due to structural or field asymmetry. In this paper, we propose a metasurface consisting of nanodisk tetramer clusters to realize the transformation from BICs to quasi-BICs and support four resonances in the near-infrared range. The in-plane center square defect is introduced to provide symmetry-breaking while C 4 v symmetry is maintained. By performing the multipole decomposition and near-field analysis, these four modes can be demonstrated to be excited by electric quadrupole (EQ), magnetic quadrupole (MQ), magnetic dipole (MD) and toroidal dipole (TD) moments. We demonstrate the full angles polarization-independent characteristic of the metasurface and investigate the robustness by introducing off-center square defects. In addition, we also evaluate the sensing performance of the metasurface as a refractive index sensor. We believe that this work could provide new references for the polarization insensitive metasurface with multiple resonances and help to develop the applications such as biochemical sensing, low-threshold lasing and nonlinear devices. • Metasurface based on symmetry-protected BICs can support high Q-factor multiple Fano resonances. • Polarization independent properties and robustness are confirmed for our proposed metasurface. • The metasurface shows great sensing performance as a refractive index sensor. [ABSTRACT FROM AUTHOR]

[Display omitted] • Ternary Mn 0.5 Cd 0.5 S/CB/CuS hierarchical multiheterojunction system was designed. • Synergetic effect between multifunctional CB and CuS dual cocatalysts discussed. • High H 2 -production rate achieved over composite, 4.79-fold higher than Mn 0.5 Cd 0.5 S. Developing exceptionally robust and cost-effective cocatalysts to suppress charge recombination and reduce the reaction energy barrier remains an enormous challenge for producing high-valued and storable hydrogen fuel from photocatalytic water splitting. Herein, novel Mn 0.5 Cd 0.5 S nanoparticles modified with multifunctional carbon black (CB) nanowires and CuS nanotubes as dual cocatalysts were fabricated via sonochemical loading, and subsequent in-situ deposition routes. In this ternary hierarchical architecture, both CB nanowires and CuS nanotubes can serve as normal electron cocatalysts to markedly promote the hydrogen generation performance by lowering the thermodynamic overpotential for hydrogen evolution. Moreover, due to the high electrical conductivity, the multifunctional CB material can also function as a bridge to effectively capture and transmit the photoexcited electrons from Mn 0.5 Cd 0.5 S to CuS with outstanding electrocatalytic hydrogen evolution activity, thus maximizing the carrier separation and H 2 -evolution reaction kinetics. Interestingly, the cooperative effects between CB and CuS dual cocatalysts are also helpful for improving the oxidation capacity of photoexcited holes by lowering the valence band position of Mn 0.5 Cd 0.5 S, which further accelerates the electron-hole separation. As a result, the constructed Mn 0.5 Cd 0.5 S/CB/CuS hierarchical multiheterojunction catalyst shows the superior hydrogen generation efficiency of 819.9 μmol h−1 and excellent stability under simulated solar light irradiation. [ABSTRACT FROM AUTHOR]

The metal–insulator–metal trapezoidal 2 π phase metasurface is popular for its advantages of easy fabrication, large deflection angle range and a relative broad waveband under normal incidence that parallel to the short side. However, at the wavelength where exists 2nd-order diffraction, there has low 1st-order diffraction conversion efficiency, and the structure does not have the ability of polarization dependent beam manipulation. Our work is to perfect the phase distribution by placing another trapezoid orthogonally next to the original trapezoid, suppress the 0-order and 2nd-order diffractions. The +1st (-1st)-order is mainly controlled by x - (y -) polarized incidence, by rotating the polarization direction of the incident light, we design a tunable beam splitter with a wide range of splitting ratios by numerical simulation. In most wavelengths of 1000–2500 nm, an equal-power beam splitter can be realized. • Anomalous deflected metasurface. • Polarization dependent splitter. • Tunable splitting ratio. • Ultra-broadband and good robustness. [ABSTRACT FROM AUTHOR]

• Amine grafted MCF sorbents were synthesized by using a facile wet grafting method. • The developed sorbents showed high CO 2 uptake of 2.07 mmol/g at 25 °C and 0.15 bar CO 2. • The 3D-interconnected mesoporosity of MCF played a critical role in CO 2 adsorption. A series of amine-functionalized CO 2 sorbents were synthesized by grafting mono- and tri-amine substituted trialkoxysilanes on mesocellular siliceous foam (MCF) via a facile wet grafting method. The effect of amine type, amine loading level, and porous structure of silica on the CO 2 adsorption performance was investigated. MCF silica with a three-dimensional (3D) interconnected porous structure was found to be suitable for preparing amine-grafted sorbents. Tested at 25 °C and 0.15 bar of CO 2 , the mono- and tri-amine grafted MCFs exhibited a fast adsorption rate and excellent CO 2 adsorption capacity of 1.71 mmol/g for mono-amine and 2.07 mmol/g for tri-amine, which was much higher than amine grafted PQ and SBA-15 with a 2D porous structure, and the amine grafted silica sorbents prepared in previous studies. The large pore volume and pore size coupled with superior interconnectivity of MCF enable more surface silanol groups available and accessible for amino silanes, leading to a high amine loading level and excellent amine dispersion on the silica surface, which enhances both the CO 2 adsorption capacity and adsorption rate of the developed sorbents. Cyclic adsorption–desorption tests confirmed the excellent stability of the amine grafted MCF. [ABSTRACT FROM AUTHOR]

[Display omitted] • WS 2 decorated Mn 0.5 Cd 0.5 S/CuInS 2 p-n heterojunction synthesized for H 2 -production. • Multichannel charge-carrier transfer between Mn 0.5 Cd 0.5 S, CuInS 2 and WS 2 discussed. • High H 2 -production rate achieved over composite, 3.98-fold higher than Mn 0.5 Cd 0.5 S. Effective charge separation and sufficient light harvesting are crucial for photocatalytic water splitting into renewable and storable hydrogen energy. Employing WS 2 as cocatalyst and CuInS 2 as p-type semiconductor and photosensitizer, a novel WS 2 /Mn 0.5 Cd 0.5 S/CuInS 2 hierarchical tandem p-n heterostructure was constructed based on the energy band engineering theory. In this tandem p-n heterostructure, Mn 0.5 Cd 0.5 S nanoparticles adhere closely to CuInS 2 nanosheets to form a p-n junction along with the strong and monodirectional inner-built electric field, which can regulate the directional transfer/migration of photoinduced electrons-hole pairs and significantly boost the charge separation. Furthermore, the WS 2 cocatalyst employed in the ternary heterostructure further expedites the spatial charge separation and directional migration of photoexcited electrons, as well as simultaneously provides plentiful reaction active sites to decrease the activation barrier for hydrogen generation reaction. Benefiting from the synergetic cooperation of WS 2 cocatalyst and the p-n junction charge transfer channels, the smartly designed ternary WS 2 /Mn 0.5 Cd 0.5 S/CuInS 2 heterostructure displays the optimal photoactivity toward hydrogen production (681.7 μmol h−1), more 3.98-fold enhancement than individual Mn 0.5 Cd 0.5 S under simulated sunlight irradiation. This research provides a new avenue for constructing multi-hierarchical systems with remarkably boosted charge separation and light-harvesting abilities for high-efficiency solar energy conversion. [ABSTRACT FROM AUTHOR]

We demonstrate a facile approach to synthesize shape-controlled anatase titania with tailored facets via the employment of 3-aminopropyltrimethoxysilane (APTMS) as shape-tunable and capping agent. The as-synthesized anatase TiO 2 nanorods was highly crystalline and exposed with {001} and {100} facets. The LIBs based on these highly crystalline TiO 2 nanorods with tailored facets reveals significant improvement in high-rate capacity and cycling performance. More importantly, this methodology enable the industrial application of anatase titania as anode materials for LIBs without high temperature annealing process. [ABSTRACT FROM AUTHOR]

• Compact device footprint. • Based on the emerging chalcogenide compound Ge 2 Sb 2 Se 4 Te 1. • Excellent performances with low insertion loss and high switching depth. • Greatly competitive to the state-of-the-art counterparts. Chalcogenide compound Ge 2 Sb 2 Se 4 Te 1 (GSST), an emerging phase change material, features drastic optical property contrast between the amorphous and crystalline states. In this paper, a compact and nonvolatile polarization-rotating optical switch is proposed and demonstrated numerically assisted by a L-shaped GSST waveguide, covering the telecom C- band. The switch exhibits greatly competitive performances with a good trade-off for a low insertion loss below 0.33 dB, a high switching depth (SD) above 34.2 dB, a compact device footprint (length = 4.28 μm) and an operating bandwidth over 100 nm. The device performances with the intermediate states between amorphous and crystalline of GSST are investigated as well. Furthermore, the results show that the optical switch exhibits a satisfactory robustness with SD > 33.8 dB within the ± 20-nm variations for both etching width and height. This work can provide a viable scheme to achieve the functionality of combining polarization rotation and switching, which will simplify the system architecture and improve the integration of polarization diversity circuits for optical routing on chip. [ABSTRACT FROM AUTHOR]

Increasing evidence highlighted the metabolic associations between host and gut microbiota during infection. However, how host–gut microbiota metabolic partnership response to carbapenem-resistant Escherichia coli (CRE) infection has yet to be elucidated. In this study, we subjected the mice to a single intraperitoneal injection of CRE and studied the alterations of the small molecule metabolites derived from host-microbial co-metabolism, as well as the gut microbiome in mice, at 24 h after infection by a two-level strategy. A panel of metabolites in feces and serum, were found to alter significantly in the CRE group, including 26 joint metabolites between them. Meanwhile, the relative abundance of 14 OTUs in Firmicutes (10 OTU), Bacteroidetes (2 OTU), Actinomycetes (1 OTU), and Proteobacteria (1 OTU) were observed to change after infection. Association analyses demonstrated that 9 OTUs including six in the Firmicutes phylum, two in the Bacteroidetes phylum, and one in the Actinomycetes phylum, were associated with the changes of 49 fecal metabolites and 42 serum metabolites. The study of gut microbiota-host metabolic interactions in the early stage of the infection is expected to provide novel diagnostic methods and therapeutic strategies for CRE infection, bring innovative solutions to resolve the current challenge. [Display omitted] • Serum and fecal metabolomic profile were significantly changed in mice suffering from acute CRE infection. • Alterations in the fecal microbiota were associated with the metabolic signatures in response to acute CRE. • Pathogen-gut microbiota-host metabolic interactions provide novel diagnostic and therapeutic strategies for CRE infection. [ABSTRACT FROM AUTHOR]

Oil shale pyrolysis is normally extremely complicated because many reactive processes simultaneously occur and different products are therefore continuously generated and serve as a new reactant, as a multi-stage processes with competing or parallel reactions. To probe deeply into the pyrolysis kinetics of Huadian oil shale, we have employed multi-stage parallel reaction model and bi-Gaussian distribution method to fit the non-isothermal thermogravimetric data. Friedman, Flynn–Wall–Ozawa, and Kissinger–Akahira–Sunose methods were utilized to estimate activation energy, and two master plots methods were introduced to establish kinetic models. Two reactions were involved in devolatilization of organic matter in oil shale, and the Reaction II was a principal process of Stage II and dominated kinetic property of overall Stage II. The heating rate had some impact on the pyrolysis process but exerted little influence on kinetic parameters. The comparison of these results indicated the inherent property and thermal stability of oil shale pyrolysis. [ABSTRACT FROM AUTHOR]

The stress–strain relationships of low-buckle silicene are investigated in the framework of the density functional theory for equiaxial tensile strain and uniaxial tensile strain along armchair and zigzag directions. The ideal strengths for equiaxial tension and armchair uniaxial tensions are 7.59 N/m and 6.76 N/m, respectively. For zigzag uniaxial tension, there exists two ideal strengths (5.26 N/m and 5.29 N/m) due to the phase transition of silicene from original low-buckle structure to true planar structure. The phonon dispersions of silicene under three types of tensions are calculated using the finite differences method to examine stability conditions. The results show that failure mechanisms of silicene under armchair and zigzag uniaxial tensions are elastic instability (phonon instability occurs behind the elastic instability). We find that phonon instabilities occur near the center of the Brillouin zone and phonon soft modes for armchair and zigzag uniaxial tensions are longitudinal acoustical (LA) modes along the pulling direction like graphene. The failure mechanism of silicene under equiaxial tension is only attributed to elastic instability unlike graphene. The phonon instability is dictated by out-of-plane acoustical (ZA) mode rather than K 1 mode in graphene. Phonon also becomes instable in the planar structure of silicene transformed under zigzag uniaxial tension. Dependence of electronic properties of silicene on the uniaxial tensions is investigated. Uniaxial tensions along armchair and zigzag directions cannot open a gap in silicene. But it is available to tune the gaps induced by spin–orbital coupling through these two types of tensions. [ABSTRACT FROM AUTHOR]

Highlights: [•] A topochemical reaction method was studied for shale oil and gas extraction. [•] The mechanism of topochemical reaction was proposed and well demonstrated. [•] The oxygen is a crucial factor for this chemical heat-enhanced procedure. [•] There were five distinct reaction identified in entire process. [ABSTRACT FROM AUTHOR]

Abstract: The concentration of tetrabutyl titanate (TBT) and H2O influence on the reaction kinetics of TBT and acetic acid (AcOH) solvothermal system are systematically studied. It is found that TBT and H2O have greatly accelerated the hydrolysis–condensation process of the TBT–AcOH system. By adjusting those concentrations with reaction time, we prepare five kinds of sub-micron/micron precursors, which are hierarchical structures consisting of different primary building blocks. The morphology of these precursors varies from noninterlaced structures composed of flower-like microsphere and ellipsoid sphere to interlaced structures composed of flower-like microsphere interlaced nanofibers, ellipsoid spheres interlaced flower-like microsphere and nanoparticles interlaced flower-like microsphere. These interlaced structures are synthesized for the first time and are not ordinary mixtures of the noninterlaced structures. After heat treatment, these precursors are transformed to anatase TiO2. Shape-dependent photovoltaic performances of dye-sensitized solar cells (DSSCs) are also discussed. DSSCs based on these hierarchical sub-micron/micron TiO2 show 7.3%–7.9% energy conversion efficiencies, and the devices based on interlaced structures have higher efficiencies (7.4%–7.9%) than those of the devices based on noninterlaced structures (7.3%–7.6%). [Copyright &y& Elsevier]

Abstract: A facile and reliable method is applied to prepare the electrolyte based on hydroquinone (HQ)/benzoquinone (BQ) redox couple for dye-sensitized solar cells (DSSCs) in open environment by adding moderate amount of acetic acid (HAc), and the best conversion efficiency (η) of 5.82% is achieved under 100mWcm−2 (AM 1.5G) illumination. Electrochemistry properties of DSSCs using such redox couple are measured and the results show a higher current and better charge transfer in contrast to I −/I 3 −. And a slightly higher efficiency of 5.88% is obtained when HQ and BQ are symmetrically substituted by two methyls. With advantages of high efficiency, compatible with the most common dye N719 and easily tuned by facile structural modification, the redox shuttle employing HQ/BQ via HAc treatment is very promising to be employed in efficient DSSCs. [Copyright &y& Elsevier]

Conventional metasurfaces cannot adjust the electromagnetic responses once the structures are determined. In this paper, we numerically demonstrate a thermally switchable bifunctional metasurface based on the phase change material vanadium dioxide (VO 2) applied to the mid-infrared band. The dual-layer ring resonator consists of an Ag split ring and a VO 2 ring, which can achieve ultra-broadband polarization conversion and perfect absorption through the insulator-to-metal phase transition of VO 2. When VO 2 is in the insulating state, the designed metasurface acts as polarization converter with polarization conversion ratio of over 95% in the wavelength range of 2500 nm to 3500 nm. When VO 2 is in the metallic state, the metasurface behaves as perfect absorber with over 90% absorptivity in the region from 2900 nm to 3700 nm. And the operating bandwidths of the two functions are highly overlapped. The ultra-broadband polarization conversion properties are mainly derived from the closed multiple electric and magnetic resonances. Single localized magnetic resonance results in a flat absorption spectrum. The proposed metasurface may provide new ideas for the design of tunable integrated optical devices. • Switching of polarization conversion and perfect absorption. • Highly overlapping operating bandwidths. • Easy to switch by changing temperature. • High efficiency and great robustness. [ABSTRACT FROM AUTHOR]

Excessive phosphorus (P) inputs from manure and synthetic fertilizers leads to high environmental risk in greenhouse vegetable production systems. In the current study, we determined whether a system of P fertilization that attempts to achieve a zero-P surplus balances agronomic, economic, and environmental concerns. A field experiment was conducted to evaluate the potential of integrated inorganic and organic nutrient management to provide both high yield and minimal environmental risk in a typical region of greenhouse vegetable production in China. Three treatments were compared: farmers' practice (FP), current recommended nutrient management (CRNM), and designed balanced nutrient management (DBNM, with P input optimized based on crop demand). The results indicated that in the greenhouse cucumber production system, the seasonal P surplus of FP was as high as 410 kg P ha−1; this increased the movement of P to the subsoil, causing a high risk of P loss, i.e., a P index >9, and a high eutrophication potential (87.4 kg PO 4 -eq ha−1). Compared with FP, CRNM (which had a 76% lower P fertilizer input) significantly reduced the P surplus, the risk of P loss, and the eutrophication potential, and increased yield incomes and net ecosystem economic benefits by 18.0% and 31.8%, respectively. Compared with CRNM, DBNM significantly reduced the P surplus by 84.5% and the environmental damage cost by 19.0%, while increased the input cost by 23.0%. Therefore, the DBNM strategy is recommended in greenhouse vegetable production to reduce the P surplus and environmental costs, and to obtain high yield and economic benefits. [Display omitted] • The nutrient input could be optimized to ensure high yield with less P input in a plastic shed system. • The CRNM and DBNM reduced soil available P and CaCl 2 –P concentration. • The P index and eutrophication potential was lower in CRNM and DBNM system than in FP. • DBNM further decreased environmental damage costs by 19% compared with CRNM. [ABSTRACT FROM AUTHOR]

In this paper, we present a general design scheme for waveguide-integrated demultiplexing devices based on intelligent topology search method combining density model and gradient-based method of moving asymptotes. 2D finite element method is adopted to simulate and evaluate the performance of demultiplexers with quasi-3D configuration by setting equivalent refractive index of silicon. The obtained pixelated digital metamaterials individually fulfill functionalities including 1550nm/1310nm and 1500nm/1600nm wavelength demultiplexing, TE0/TE1 mode demultiplexing at 1550 nm, and TE0/TM0 polarization demultiplexing at 1550 nm. The footprint of the functional region is as small as 1.55 μm × 1.55 μm. To validate our designs with SOI configuration, 3D models are simulated by finite difference time domain. Comparable and satisfactory performances of the target functionalities are demonstrated. For all four demultiplexers, the worst transmission efficiency is 44.5% of TE0 in polarization demultiplexing, the worst contrast ratio is 14.1 dB of TE1 in mode demultiplexing and the worst crosstalk is −15.1 dB of TE0 in mode demultiplexing. Within an ultra-compact footprint, this design scheme can efficiently enable the device to separate or route photons based on specific dimension, such as wavelength, mode and polarization. • Digital metamaterials are designed for wavelength, mode and polarization demultiplexing. • The inverse design scheme combines DM and MMA method, which needs only 200 iterations to search for a design. • The functional region of the demultiplexer occupies only λ2. • The performances of the four ultra-compact demultiplexers are comparable and satisfactory. [ABSTRACT FROM AUTHOR]

• This case-control study assessed the psychological status of COVID-19 patients. • It showed that COVID-19 patients had higher prevalence of mental problems, such as anxiety, depression, suicidal ideation, and insomnia compared to controls. • Our findings highlighted the urgent need for psychological assistance for COVID-19 patients. The coronavirus disease 2019 (COVID-19) has caused widespread panic due to its highly infectious and pandemic transmission. We aimed to evaluate the psychological impact of the COVID-19 outbreak on infected subjects in China. This case-control, survey-based study assessed the psychological status of COVID-19 patients and non-infected controls from February 10 to March 18, 2020, in China. Sex, age, education years, marital status, jobs, annual household income, living status, and geographic origin were matched between the two groups. The main outcome measures included anxiety, depression, insomnia, help-seeking behaviors, and treatment for mental problems. A total of 326 patients and 1304 (1:4 ratio) matched non-infected controls were enrolled. Compared with controls, patients had higher scores on the Beck Anxiety Inventory (BAI), Patient Health Questionnaire-9 (PHQ-9), and Insomnia Severity Index (ISI) (all p <0.01). Patients had higher rate of any mental problems (62.6% vs 42.5%, p <0.01), anxiety (27.3% vs 12.2%, p <0.01), depression (26.7% vs 14.6%, p <0.01), suicidal ideation (16.0% vs 10.7%, p <0.01), and insomnia (57.7% vs 36.7%, p <0.01). Among the subjects with mental problems, the proportion of seeking help (15.2% vs 6.9%, p <0.01) and receiving treatment (11.3% vs 4.3%, p <0.01) was higher in patients than controls. Our study showed a higher prevalence of mental problems in COVID-19 patients compared to controls, suggesting a great psychological impact of COVID-19 infection. Our findings highlighted the urgent need for psychological assistance for COVID-19 patients. [ABSTRACT FROM AUTHOR]

Abstract: Trace amount chromium-doped (Cr-doped) TiO2 is prepared by hydrothermal method for dye-sensitized solar cells (DSSCs). The effect on photovoltaic performance of the cells is investigated via control of the concentrations of Cr doped in TiO2. Rutile phase increases when Cr is incorporated into TiO2 while the property of electron transport in photoelectrodes is improved by doping Cr which results in a reduced resistance (R ct) of the electron transport within mesoporous layer and an improved electron lifetime. The regularity of R ct and electron lifetime is reversed when the level of doped Cr exceeds 50 ppm. On the other hand, owing to the doping effect of Cr, the short-circuit photocurrent density (J sc) of DSSCs is remarkably enhanced and reaches maximum. Consequently, the overall energy conversion efficiency enhances to 6.35% with Cr-doped TiO2 of 50 ppm, which is 14.62% higher than that with undoped TiO2. In general, compared with undoped TiO2, Cr-doped TiO2 is a better photoanode material and a more promising alternative for high efficient DSSCs. [Copyright &y& Elsevier]

Abstract: Highly porous carbon/SnO2/TiO2 nanocomposite films that can be used as counter electrodes in dye-sensitized solar cells (DSSCs) are fabricated by coating a homogeneous and viscous carbon paste on F-doped tin oxide conducting glass. The carbon paste is prepared by ball-milling a mixture of carbon, SnO2 powder and TiO2 hydrosol in an organic solution. The composite films are characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscope, Brunauer–Emmett–Teller and Form Talysruf Profiler. The results indicate that the photovoltaic performances of the composite DSSCs are influenced by the content of SnO2. When the content is increased to 30%, SnO2 not only acts as “framework” to strengthen the mechanical stability of the composite film but also increases the specific surface area and root-mean-square roughness, which improve fill factor and short-circuit current, finally increasing power conversion efficiency from 5.12% to 6.15%. Cyclic voltammetry analysis and electronic impedance spectroscopy of the optimum composite film display higher catalytic activity for I3 −/I− redox reactions and much lower charge-transfer resistance compared with Pt, respectively. Dye-sensitized solar cells based on this nanocomposite counter electrode achieve efficiency as high as 6.15% which is comparable to that of the cells using sputtering Pt as counter electrode at similar conditions. [Copyright &y& Elsevier]

Abstract: The structural and electronic properties of neutral and negatively charged Ga12X (X=C, Si, Ge, Sn, and Pb) clusters are calculated by the first-principles method. The results show that the most stable symmetry depends on the doped atom rather than the geometry structure. However, the geometry symmetry plays an important role in calculating the energy gap. In addition, in the anionic clusters, the added electron would reduce the energy gap by about 0.4eV. As for the density of states (DOS), clusters with the same symmetry show a similar trend of DOS. The major impact on DOS by adding an electron is the occurrence of relative energy shift. [Copyright &y& Elsevier]

Abstract: A finite element model is proposed to quantitatively predict the critical condition for a nitride quantum dot to bend threading dislocation to interfacial misfit dislocation. The energy balance approach adopted is based on the elastic residual strain energy and non-elastic dislocation core energy. We find that the critical misfit, beyond which the inclination of threading dislocation is energetically favorable, depends strongly on the shape, size and aspect ratio. The results provide guidelines for the design of quantum dot dislocation filter. [Copyright &y& Elsevier]

Abstract: Binary Al2O3/SiO2-coated rutile TiO2 composites were prepared by a liquid-phase deposition method starting from Na2SiO3·9H2O and NaAlO2. The chemical structure and morphology of binary Al2O3/SiO2 coating layers were investigated by Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, TG–DSC, Zeta potential, powder X-ray diffraction, and transmission electron microscopy techniques. Binary Al2O3/SiO2 coating layers both in amorphous phase were formed at TiO2 surfaces. The silica coating layers were anchored at TiO2 surfaces via Si–O–Ti bonds and the alumina coating layers were probably anchored at the SiO2-coated TiO2 surfaces via Al–O–Si bonds. The formation of continuous and dense binary Al2O3/SiO2 coating layers depended on the pH value of reaction solution and the alumina loading. The binary Al2O3/SiO2-coated TiO2 composites had a high dispersibility in water. The whiteness and brightness of the binary Al2O3/SiO2-coated TiO2 composites were higher than those of the naked rutile TiO2 and the SiO2-coated TiO2 samples. The relative light scattering index was found to depend on the composition of coating layers. [ABSTRACT FROM AUTHOR]

Abstract: The pathological changes of spinocerebellar ataxias (SCAs), mainly include the degeneration of the cerebellum, spinal cord and brainstem. To investigate the genotype of a three-generation Chinese Han pedigree with an autosomal dominant SCA for clinical diagnosis and genetic counseling, direct mutation test and linkage analysis were performed. SCA1–8, SCA10–14, SCA17, SCA27 and dentatorubral-pallidoluysian atrophy (DRPLA) were excluded by mutation analysis while SCA15/16/29, SCA18, SCA19/22, SCA20, SCA21, SCA23, SCA25, SCA26, SCA28 and SCA30 were excluded by linkage analysis. Therefore, we excluded all of the previously identified SCA-associated genes and loci. Interestingly, one patient (III-13) had a novel mutation of the pleckstrin homology domain containing, family G (with RhoGef domain) member 4 gene (PLEKHG4), and another patient (II-7) had a novel mutation of the β-III spectrin gene (SPTBN2) (Genbank accession numbers FJ905766 and FJ811850, respectively). However, mutations of the PLEKHG4 gene and the SPTBN2 gene are not the causes of SCAs in this family. We conclude that this autosomal dominant cerebellar ataxia family is likely a new genotype of SCAs. [Copyright &y& Elsevier]

Abstract: We present a finite element method to simulate the strain field in InSb/GaSb quantum dots in the framework of anisotropic elasticity, before and after the onset of plastic relaxation. Taking the interaction between dislocation and free surface into consideration, the model directly calculates the residual strain in the dislocated system. Based on the energy balance between the two isolated states, the equilibrium critical size is determined. In the criterion, only the non-elastic dislocation core energy should be considered separately. The results are in satisfactory agreement with experimental data. [Copyright &y& Elsevier]

Abstract: Hollow silver spheres were successfully prepared by reducing AgNO3 with ascorbic acid and using negatively charged poly-(styrene-methyl acrylic acid) (PSA) spheres as templates in the presence of sodium polyacrylate as a stabilizer. Firstly, silver cations adsorbed on the surface of PSA spheres via electrostatic attraction between the carboxyl groups and silver cations were reduced in situ by ascorbic acid. The silver nanoparticles deposited on the surface of PSA spheres served as seeds for the further growth of silver shells. After that, extra amount of AgNO3 and ascorbic acid solutions were added to form PSA/Ag composites with thick silver shells. In order to obtain compact silver shells, the as-prepared PSA/Ag composites were heated at 150°C for 3h. Then hollow silver spheres were prepared by dissolving PSA templates with tetrahydrofuran. [Copyright &y& Elsevier]

Abstract: Molecular dynamics simulations using a Coulomb–Buckingham potential have been used to investigate the process of wurtzite GaN films growth, including the appearance of films in early stage, regulation of growth, structure of the surface and the dynamic features. The simulations show that the N atoms and Ga atoms are absorbed on the lattice of substrate and take on a distinct sandwich structure. Time evolution of the mean square displacements and diffusion coefficient of the deposited atoms are observed, the results show that the clusters will become stable with the increase of time steps and the atoms reach the initial stable state after 25ps; N atoms reach the equilibrium positions more quickly than Ga atoms. It is proved by radial distribution function and the ratio of vacancy of every deposited layer that the crystalline characters of the films will become better as the time steps increase and weaker from bottom to top. [Copyright &y& Elsevier]

Abstract: Porous hollow silica spheres were prepared by using polystyrene–methyl acrylic acid latex as a template and cetyltrimethylammonium bromide as a wall structure-directing agent starting from tetraethoxysilane. Scanning electron microscopy (SEM), transmission electron microscopy (TEM), FT-infrared spectroscopy (FT-IR) and nitrogen adsorption/desorption were used to characterize the hollow silica spheres. When silica-coated latex composites were prepared at room temperature, hollow silica spheres with micropores in the walls were formed after removing the latex templates by calcination. When silica-coated latex composites were aged at a higher temperature of 150°C, intact mesoporous hollow silica spheres were formed after calcination treatment. [Copyright &y& Elsevier]

Metallic Li, with ultrahigh theoretical capacity (3860 mA h g−1) and the lowest electrochemical potential (−3.04 V vs. the standard hydrogen electrode), is perfectly meet the needs of high energy density lithium batteries. However, the direct use of metallic lithium as anode would cause serious dendrite and huge volume expansion, which will bring safety hazards and restrict the practical commercialization of Li metal anodes. Herein, a facile electrophoretic deposition (EPD) method was employed for the first time to fabricate uniform TiN modified commercial Cu foam (TiN@Cu foam) as the lithiophilic 3D conductive skeleton. The lithiophilic TiN acts as the well-distributed seeds to promote the uniform lithium deposition, attributing to the lowed nucleation overpotential. The porous and conductive Cu foams can further mitigate the formation of Li dendrites, on account of its high specific surface area reduce the effective current density. The TiN@Cu foam based half cells and symmetric cells both exhibit improved reversibility and reduced polarization voltage in lithium plating/stripping process. Furthermore, better rate performance and cycling stability were also achieved in the full-cell configurations of TiN@Cu foam-Li/Li 4 Ti 5 O 12 (LTO) and TiN@Cu foam-Li/LiFePO 4 (LFP). This work demonstrates a facile strategy to modify the commercial current collectors with pre-synthesized lithiophilic nanoparticles for achieving uniform Li deposition. TiN anchored commercial Cu foam (TiN@Cu foam) has been developed via a facile and effective electrophoretic deposition approach. The obtained TiN@Cu foam achieves regulated Li nucleation and guides the lateral Li growth, which mitigate the formation of Li dendrites and improve the cycling stability. The battery performances in the full-cell configurations with LFP or LTO cathodes are also boosted by employing the Li-TiN@Cu foam anodes, demonstrating the potential practical application of the TiN@Cu foam in advanced Li metal batteries. [Display omitted] • The uniform TiN modified commercial Cu foam (TiN@Cu foam) is fabricated by a facile Electrophoretic Deposition method. • The lithiophilic TiN can act as the Li nucleation seeds to guide the homogenous Li plating, and facilitate fast Li-ion transport. • TiN@Cu foam based half cells and symmetric cells both exhibit improved reversibility and reduced polarization voltage. • The full cells based on TiN@Cu foam-Li anodes deliver improved rate capability and cycling stability. [ABSTRACT FROM AUTHOR]

Abstract: TiO2-coated sericite powders were prepared by the chemical deposition method starting from lamellar sericite and TiCl4 in the presence or absence of La3+ cations. After calcination at 900°C for 1h, the resultant TiO2 nanoparticles on the sericite surfaces existed in anatase phase. The light scattering indexes of the TiO2-coated lamellar sericite powders were dozens of times higher than that of the naked lamellar sericite powders. The presence of La3+ in the deposition solution was beneficial to the formation of the small-sized anatase TiO2 nanoparticles, resulting in the formation of the dense and uniform island-like TiO2 coating layers in a large range of the weight ratios of TiO2 to sericite from 5% to 20%. The TiO2-coated lamellar sericite powders prepared in the presence of La3+ had higher light scattering index than that prepared in the absence of La3+. XPS analysis shows that when La3+ cations were absent in the reaction solution, TiO2 coating layers anchored at the sericite surface via the Ti–O–Si and Ti–O–Al bonds. The presence of La3+ cations caused the formation of Si–O–La and Al–O–La bonds at the sericite surface and Ti–O–La bond at the surface of TiO2 coating layers. After coating TiO2 on the sericite surface, the yellowness of the TiO2-coated sericite powders obviously increased and the brightness slightly decreased. [Copyright &y& Elsevier]

Based on density-functional theory, the catalytic property for hydrogen evolution reaction (HER) of square phase Janus MoSSe monolayer is systematically investigated. Similar to 2H-phase transition metal dichalcogenides, the basal plane of pristine 1S- MX 2 and 1S- MXY (M : Mo; X/Y : S/Se) are catalytically inert. By introducing vacancy defects, the catalytic performance of the basal plane can be activated. The calculated Gibbs free energy differences (Δ G H) of non-Janus 1S-MoS 2 and 1S-MoSe 2 with point vacancies reduce to 35 and −105 meV, respectively. Due to the atomic asymmetry of Janus structure, Δ G H of 1S-MoSSe monolayer are −53 and −28 meV for S- and Se-vacancy defect, respectively. Qualitatively, the catalytic activity of 1S-MoSSe and 1S-MoS 2 with S vacancy are comparable while 1S-MoSSe is much better than 1S-MoSe 2 with Se vacancy. Additionally, Δ G H of 1S-MoSSe with Se-vacancy keeps within ±50 meV under a −2%–2% biaxial strain, demonstrating high robustness of catalytic activity against strain. The results indicate the potential of square phase Janus MoSSe monolayer as an option for monolayer HER catalyst. • Basal planes of pristine square phase non-Janus and Janus TMD monolayers are catalytically inert. • Introduction of vacancy defects can activate the basal plane of 1S-MoSSe monolayer. • Δ G H of 1S-MoSSe_VSe and 1S-MoSSe_VS are −0.028 eV and −0.053 eV by DFT calculations, respectively. • Introduction of tensile (compressive) biaxial strain reduces (enlarges) the value of Δ G H. • Within the strain range from −2% to 2%, Δ G H of 1S-MoSSe_VSe keeps in the catalytic window. [ABSTRACT FROM AUTHOR]

• Co 1+ x Fe 2−2 x /3 O 4 were synthesized by a convenient method using spent LIBs. • This process can reduce environmental pollution and alleviate resource shortage. • Co 1+ x Fe 2−2 x /3 O 4 (x = 0.15) is a candidate for magnetostrictive sensing applications. A series of Co 1+ x Fe 2−2 x /3 O 4 (x = 0, 0.05, 0.1, 0.15, 0.2) samples, in which Fe3+ was progressively replaced by Co2+, were prepared through the sol-gel auto-combustion method using spent Li-ion batteries as raw materials. The structure, morphology, magnetic and magnetostrictive properties of the samples were studied. The purpose of the present work is to make cobalt ferrite more suitable for its application in non-contact sensors and actuators. X-ray diffraction (XRD) patterns show that all the samples have a pure single-phase cubic structure. The non-stoichiometric cobalt ferrite has different crystallite size and lattice constant compared with pure CoFe 2 O 4. Field emission scanning electron microscopy (FE-SEM) was carried out to investigate the amount and size of pores in the sintered samples. The cationic oxidation state and cation distribution of the spinel structure was investigated by means of X-ray photoelectron spectroscopy (XPS). The variations in structure and morphology were found to lead to significant changes in the magnetic and magnetostrictive properties. With the increase of cobalt content, the saturation magnetization and the maximum magnetostrictive coefficient of the samples initially increase and then decrease. Given the different behaviors of the magnetostriction coefficient and strain sensitivity of the samples, their magnetostrictive performance was quantified through a "figure of merit" defined as the product between the two above mentioned parameters. [ABSTRACT FROM AUTHOR]

Fungal infections remain a serious problem worldwide that require effective therapeutic strategies. Essential oil of basil (Ocimum basilicum L., BEO) being traditionally used extensively for the treatment of bacterial and fungal infection has a long history. However, the potential mechanism of action was still obscure, especially from the metabolic perspective. The fungistatic effect of BEO on Candida albicans (C. albicans) was evaluated by measurement of minimum inhibitory concentration (MIC) and morphological analysis. A high-coverage microbial metabolomics approach was utilized to identify the alterations of intracellular metabolites of C. albicans at mid-logarithmic growth phase in response to the subinhibitory concentration of BEO, by using gas chromatography coupled to time-of-fight mass spectrometry (GC-TOFMS). Following the metabolic fingerprinting, systematic network analysis was performed to illustrate the potential mechanism of BEO involved in the suppression of C. albicans. The damage in cellular membranes of C. albicans treated by BEO above MIC was observed on the scanning electron microscope (SEM) micrographs. Metabolomics results showed that, among 140 intracellular metabolites identified by comparison with reference standards, thirty-four had significantly changed abundances under 0.2 MIC of BEO treatment, mainly involving in central carbon metabolism (glycolysis/gluconeogenesis, pentose phosphate pathway and TCA cycle), amino acids, polyamines and lipids metabolism. Pathway and network analyses further found that fifteen ingredients of BEO mainly terpenoids and phenyl-propanoids, potentially participated in the metabolic regulation and may be responsible for the suppression of C. albicans. The findings highlighted that integrated microbial metabolomics and network analyses could provide a methodological support in understanding the functional mechanisms of natural antimicrobial agents and contribute to drug discovery. Image 1 [ABSTRACT FROM AUTHOR]

Abstract: Monoclinic phase sulfur sheets were successfully prepared via a supersaturated solvent method using n-octane as a solvent in the presence of polyethylene glycol (PEG 600) or triethanolamine as an organic modifier. Without using organic modifiers, the as-prepared sulfur was mainly composed of spherical primary particles. The presence of polyethylene glycol or triethanolamine effectively induced two-dimension growth of sulfur crystallites. The sulfur sheets prepared by using triethanolamine as a modifier were obviously thinner than that using PEG 600 as a modifier. The chemical interaction between the modifier and sulfur played an important role in the inducement of the two-dimension growth of sulfur sheets as certified by infrared spectroscopy and scanning electron microscopy. [Copyright &y& Elsevier]

• Equilibrium structures of Janus MoSSe quantum dots are theoretically investigated. • Two distinct curling types are observed in MD simulations. • The curling behavior is mainly governed by the size of QD. • The predominant driving force is the relaxation of intrinsic strain induced by atomic asymmetry in Janus structure. Motivated by the fascinating properties of both two-dimensional transition metal dichalcogenide quantum dots (TMD QDs) and Janus TMD monolayers, we theoretically explore the equilibrium structures of free-standing Janus MoSSe QDs in which atomic asymmetry of chalcogen is introduced. Two distinct types of spontaneous curling are observed by molecular dynamics simulations, and the curling behavior depends on the size of QD. The bowl-like (tube-like) curling occurs in relatively small (large) MoSSe QDs with different shapes (hexagon and triangle) and edge types (zigzag and armchair). The transition between these two curling types occurs at the sizes of around 10 nm and 13 nm for hexagonal and triangular shapes, respectively. By applying equivalent misfit strains into two adjacent sublayers, finite element analysis reproduces similar curling behavior. This confirms the relaxation of intrinsic strain in Janus structure acting as the predominant driving force of spontaneous curling. In addition, the curvatures of Janus TMD QDs increase from MoSSe to MoSeTe to MoSTe, indicating the positive correlation between the curling and misfit. [ABSTRACT FROM AUTHOR]

Conducting polymer nanoarray structures had attracted increasing attention as potential electrode materials in supercapacitor devices. In this article, the orderly and highly dense polyaniline (i.e., PANI) nanorod arrays had been successfully grown onto the surface of carbon nanofibers(i.e., CNFs) to form PANI@CNFs composite via a one step of facile chemical oxidation method. The specific capacity of the single PANI@CNFs composite electrode was 758 C/g and 720 C/g at current densities of 1.0 and 5.0 A/g, respectively, while the cycling stability could maintain 85% of the initial capacity after 1000 charge-discharge cycles. Furthermore, two pieces of PANI@CNFs composite electrodes were fabricated into a symmetric all-solid-state flexible supercapacitor device to drive small electronic equipments using polyvinyl alcohol-H 2 SO 4 hydrogel as solid electrolyte, while the normal filter paper acted as a separator. The as-prepared symmetric supercapacitor device had excellent electrochemical performance with specific capacitance of 285 F/g at a current density of 0.5 A/g. The maximum energy density was 10.04 Wh/kg at a power density of 225 W/kg and showed no obvious decrease in the performance with a bending angle of 45° or 90°. The as-prepared symmetric all-solid-state flexible supercapacitor device had good promising applications in small wearable electronics. The orderly and highly dense polyaniline nanorod arrays had been successfully grown onto the surface of carbon nanofibers via a one step of facile chemical oxidation method. The as-prepared symmetric supercapacitor device had excellent electrochemical performance with specific capacitance of 285 F/g at a current density of 0.5 A/g, and the maximum energy density was 10.04 Wh/kg at a power density of 225 W/kg. The as-prepared symmetric all-solid-state flexible supercapacitor device had good promising applications in small wearable electronics. Image 1 • Orderly and highly dense PANI nanorod arrays fenced onto the surface of CNFs was designed. • The specific capacity of 758 C/g was obtained when PANI@CNFs acted as the electrode. • The maximum energy density of PANI@ CNFs was 10.04 Wh/kg at a power density of 225 W/kg. • The small wearable electronics could be drove by the as-prepared all-solid-state flexible supercapacitor device. [ABSTRACT FROM AUTHOR]

Liver fibrosis is caused by a sustained wound healing response to chronic liver injury, and the activation of insubstantial hepatic stellate cells (HSCs) is the key process involved. The progression of liver fibrosis may be attenuated by suppressing activation and proliferation of the HSCs. MicroRNA (miRNA) have emerged as major players in governing fundamental biological processes through multiple mechanisms MiR-708 is known to inhibit the development of hepatocellular carcinoma. However, whether miR-708 can function as a transcriptional regulator in liver fibrosis remains unclear. Our study demonstrated that miR-708 expression was inhibited in fibrotic liver tissues and in activated HSCs, accompanied by an increase of the Zinc finger E-box binding homeobox 1 (ZEB1) level. Besides, overexpression of miR-708 and silencing of ZEB1 inhibited the activation and proliferation of LX-2 cells. While knockdown of miR-708 or overexpression of ZEB1 showed reversed results. Further, dual luciferase reporter assays showed that miR-708 directly targeted ZEB1 in vitro. Interestingly, ZEB1 was found to be involved in HSCs by regulating Wnt/β-catenin signaling pathway. Together, our data showed that miR-708 may be a potential therapeutic target in liver fibrosis therapy. [ABSTRACT FROM AUTHOR]

• An oral live attenuated Salmonella typhimurium X4550 vaccines carrying an EtMIC3-C-MAR fragment was produced. • EtMIC3-C-MAR peptides are highly immunogenic. • St-X4550-MAR could improve the protective efficacy and duration of protective immunity of EtMIC3-C-MAR peptide. The microneme adhesive repeats (MAR) of Eimeria tenella microneme protein 3 (EtMIC3) are associated with binding to and invasion of host cells. Adhesion and invasion-related proteins or domains are often strongly immunogenic, immune responses mounted against these factors that play a key role in blocking invasion. In the present study, an oral live vaccine consisting of attenuated Salmonella typhimurium X4550 carrying two MAR domains fragment (St-X4550-MAR) was constructed and its protective efficacies were evaluated. The results showed that St-X4550-MAR was more immunogenic and conferred a higher degree of protection than recombinant MAR polypeptide as reflected by increased body weight, decreased oocyst shedding and lesion scores, increased serum IgG and cecal sIgA antibody production, and increasing levels of interferon-γ and interleukin-10. Thus, MAR domains are highly immunogenic and St-X4550-MAR had moderate activity against E. tenella infection by stimulating humoral, mucosal and cellular immunity. Chickens immunized with our constructed live vaccine provided considerable protections as early as at 10 d post-immunization (ACI: 155.17), and maintained higher protection levels at 20 d post-immunization (ACI: 173.66), and at 30 d post-immunization (ACI: 162.4). While the protective efficacy of chickens immunized with the recombinant MAR peptides showed a decreased trend as the post immunization time prolonging. Thus, using live-attenuated S. typhimurium X4550 as a vaccine expression and delivery system can significantly improve the protective efficacy and duration of protective immunity of MAR of EtMIC3. [ABSTRACT FROM AUTHOR]