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Although the best research-cell efficiency (>25%) of perovskite solar cells (PSCs) is comparable with that of silicon solar cells, the industrial application of PSCs is limited by the further improvement of performance and stability. Here, cesium acetate (CsAc) is introduced into lead iodide (PbI2) precursor, which tunes the morphology and structure of PbI2 and promotes the conversion of PbI2 into stable large perovskite grains. Moreover, the introduction of Cs+ and Ac− can fill up the FA+, I− vacancy and combine with uncoordinated Pb2+, which reduces the trap density. The CsAc introduction not only optimizes the quality of perovskite films, but also reduces the defects in the bulk phase, which facilitates the transportation of carriers and mitigates non-radiative recombination. Consequently, the CsAc optimized PSCs achieve a maximum power conversion efficiency (PCE) of 22.01%. Meanwhile, the unsealed device still maintains an initial PCE of 96% after being exposed in the air for 45 days.

As an eco-friendly thermoelectric material, SnTe has attracted extensive attention. In this study, we use a stepwise strategy to enhance the thermoelectric performance of SnTe. Firstly, AgCl is doped into SnTe to realize band convergence and enlarge the band gap of AgCl-doped SnTe. AgCl-doping also induces dense point defects, strengthens the phonon scattering, and reduces the lattice thermal conductivity. Secondly, Sb is alloyed into AgCl-doped SnTe to further optimize the carrier concentration and simultaneously reduce the lattice thermal conductivity, leading to improved thermoelectric dimensionless figure of merit, ZT. Finally, (Sn0.81Sb0.19Te)0.93(AgCl)0.07 has approached the ZT value as high as ∼0.87 at 773 K, which is 272 % higher than that of pristine SnTe. This study indicates that stepwise AgCl-doping and Sb-alloying can significantly improve thermoelectric performance of SnTe due to synergistic band engineering, carrier concentration optimization and defect engineering.

In this work, we investigate the influence mechanism of hydrogen partial pressure on fracture toughness and fatigue life of a high strength pipeline steel. Both fracture toughness test and fatigue life test are carried out under different hydrogen partial pressure. The experimental results show that with the increasing of hydrogen partial pressure, fracture toughness and fatigue life decrease and the decrease trends gradually flatten out. Hydrogen has a larger effect on fatigue life than fracture toughness. Only 3% hydrogen gas can cause a 67.7% decrease of fatigue life. The in-situ hydrogen permeation test is performed respectively in 2 MPa, 5 MPa and 8 MPa hydrogen partial pressure. With the increasing of hydrogen partial pressure, the increase trend of hydrogen permeation current gradually tends to be gentle, which indicates that the hydrogen atoms entering into the material gradually become saturated. This result can be used to clarify the influence mechanism of hydrogen partial pressure on fracture toughness and fatigue life.

Online recycling has become an increasingly popular research hotspot. However, few studies have focused on its potential service functions such as online promotion and offline recycling. In this study, considering such service functions, four models, namely, the manufacturer recycling channel (Model A), recycler recycling channel (Model B), online channel recycling (Model C) and manufacturer's self-built platform + recycling channel (Model D), are established, and derived the corresponding profit functions of supply chain members. Game theory was utilized to optimize service quality control strategies and supply chain member profits within the different models. Using numerical simulation, we examined the influence of both the upper recycling incentive limit and market demand on the optimal recycling channel strategies and profits. When the upper limit of the recovery incentive amount λ ∈ ( 0 , 3 ) , the actual price and service quality to consumers under the manufacturer's self-built platform + recycling channel (Model D) are better than other channels, and the optimal manufacturer and online platform profits initially increased and then decreased with increases in the recycling incentive upper limit. We also found that the optimal recycler profit increased as the upper limit of the recycling incentive increased, and that optimal supply chain member profits increased when market size D 0 ∈ ( 0 , 100 ) .

Tensile tests and fatigue life tests are performed on double-notched specimens in hydrogen and nitrogen atmospheres to investigate the effects of double notches on the mechanical properties of a high strength pipeline steel. The results show that the fracture occurs at the notch with a lower stress concentration factor (Kt), which is governed by the combination of the stress concentration and the strain hardening caused by plastic deformation in the tensile process. Hydrogen gas accelerates the crack initiation and growth, but it doesn't affect the competitive mechanism of stress concentration and strain hardening.

As the product of hydrogen sulfide corrosion, iron sulfide compound can be used as hydrogen permeation barrier. In this study, chemical vapor deposition was used to synthesize iron sulfide films on the surface of X80 steel with different sulfur sources, and the effects of different sulfur sources on the products were studied. The film was characterized by its morphology, composition and performance. The results show that the hydrogen resistance of our product and the bonding degree between the substrate and the film are strongly relevant with the compactness of the films. When we used TBDS as sulfur source, the highest impendance and the smallest hydrogen permeation current (0.53 μA/cm2) was obtained, which is due to the better adhesion and dense structure compare to the other two sulfur sourses.

Degeneration of midbrain dopaminergic (DA) neurons alters the connectivity and functionality of the basal ganglia-thalamocortical circuits in Parkinson’s disease (PD). Particularly, the aberrant outputs of the primary motor cortex (M1) contribute to parkinsonian motor deficits. However, cortical adaptations at cellular and synaptic levels in parkinsonian state remain poorly understood. Using multidisciplinary approaches, we found that DA degeneration induces cell-subtype- and input-specific reduction of thalamic excitation to M1 pyramidal tract (PT) neurons. At molecular level, we identified that NMDA receptors play a key role in mediating the reduced thalamocortical excitation to PT neurons. At circuit level, we showed that the decreased thalamocortical transmission in parkinsonian mice can be rescued by chemogenetically suppressing basal ganglia outputs. Together, our data suggest that cellular and synaptic adaptions in M1 neuron subtypes contribute to the reduced cortical outputs in parkinsonian state and are important aspects of PD pathophysiology.TeaserSpecific motor cortical plasticity contributes to Parkinson’s pathophysiology in mouse models of the disease.

This study investigates the influence of hydrogen gas on the fatigue crack growth and fracture toughness of X80 welded metal. Tests are conducted in nitrogen and hydrogen environments. The results indicate that hydrogen increased the fatigue crack growth rate by an order of magnitude and reduced the Jm(12.7) (fracture toughness) of the base metal and weld metal. Jm(12.7) of the welded specimens decreased by 38.55% because of the hydrogen. The decrease in Jm(12.7) of the specimens with welding defects depended on the type of defects. The inside welding cracks began to grow because of hydrogen and stress. The fracture mode was brittle fracture which result in a 51.63% reduction in Jm(12.7). The inclusion Mn3TiSi governed the reduction in Jm(12.7) for specimens with inclusions, and hydrogen increased this reduction by 76.52%. Therefore, defects were the dominant factor for the decrease in fracture toughness, and hydrogen facilitated the failure of the material.

Porous bone scaffolds based on high-precision 3D printing technology gave recently been developed for use in bone defect repair. However, conventional scaffold materials have poor mechanical properties and low osteogenic activity, limiting their clinical use. In this study, a porous composite tissue-engineered bone scaffold was prepared using polylactic acid, nano-hydroxyapatite, and nano-magnesium oxide as raw materials for high-precision 3D printing. The composite scaffold takes full advantage of the personalized manufacturing features of 3D printers and can be used to repair complex bone defects in clinical settings. The composite scaffold combines the advantages of nano-hydroxyapatite, which improves the formability of scaffold printing, and of nano-magnesium oxide, which regulates pH during degradation and provide a good environment for cell growth. Additionally, nano-magnesium oxide and nano-hydroxyapatite have a bidirectional effect on promoting the compressive strength and osteogenic activity of the scaffolds. The prepared composite porous scaffolds based on 3D printing technology show promise for bone defect repair.

A series of Ce0.1TiOx, Cu0.1Ox and CumCe0.1-mTiOx (m = 0.01, 0.02, 0.03) catalysts are prepared via a sol-gel method for the selective catalytic reduction (SCR) of NO with NH3. The samples are mainly characterized by X-ray diffraction (XRD), Raman, H2-TPR, NH3-TPD, separated NO/NH3 oxidation, X-ray photoelectron spectroscopy (XPS) and in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) to investigate the properties of the catalysts. Among the CumCe0.1-mTiOx (m = 0.01, 0.02, 0.03) catalysts, Cu0.01Ce0.09TiOx displays much better catalytic activity in the range of 170 °C–425 °C (> 90% NO conversion), N2 selectivity and resistance of SO2 and H2O even at high gas hourly space velocity. The XPS results verify that the introduction of Cu leads to a copper species enrichment environment and the formation of more surface Ce3+ and absorbed oxygen (Oα), which are in favor of the oxidation of NO to NO2, enhancing the activity at low temperature. Furthermore, in situ DRIFTS results confirm that the Langmuir-Hinshelwood (L-H) mechanism is predominant in the NH3-SCR process for the Cu0.01Ce0.09TiOx catalyst at 150 °C.

Current endoplasmic reticulum (ER)-targeted strategies remain unsatisfactory, largely owing to limited ER accumulation and rapid exocytosis of nanodrugs after their ER arrival. Herein, we propose a brand-new ER-targeting strategy and demonstrate its underlying mechanism: (1) homologous cancer cell membrane-coated nanoparticle (HCC@NP) circumvents lysosome degradation via caveolae-related endocytosis and preferentially accumulates in ER-Golgi network due to the SNARE proteins existing on the surface of HCC@NP, allowing the recognition and binding of HCC@NP to ER-Golgi network; (2) loaded Brefeldin (BFA) is directed to its action site and block HCC@NP exocytosis from ER via coat protein type I (COPI) vesicle transport inhibition, achieving high-efficiency and long-term ER retention. This sequentially engaging and blocking ER-associated pathway approach induces potent ER stress-associated immunogenic cell death (ICD) events and recruits CD8+ T cells. Combination with anti-PD-L1 therapy overcomes adaptive PD-L1 enrichment following ICD induction. The rationally designed platform shows significant in vivo therapeutic efficacy by promoting anti-tumor immunity and reversing immunosuppression.

Information security policy (ISP) plays a critical role in information systems security management. Past research using General Deterrence Theory (GDT) on employees’ compliance intention (CI) with ISP produced mixed results. We use survey data to investigate how other factors influence the relationship between sanction severity and employees’ CI. The results show that none of the investigated moderating variables interacts with sanction severity on employees’ ISP compliance intentions. However, the significant impact of sanction severity on employees’ ISP CI disappears when the investigated variables are included, and the impact of sanction severity is mediated by perceived efficacy and descriptive norm.

A series of Co0.2CexMn0.8-xTi10 (x = 0, 0.05, 0.15, 0.25, 0.35 and 0.40) oxides catalysts were prepared by the sol-gel method and used for NH3-SCR. These catalysts were characterized by means of XRD, SEM-EDS, H2-TPR, NO/NH3 oxidation, NH3 (NO and SO2)-TPD, XPS and in situ DRIFTS. It was found that the Co0.2Ce0.35Mn0.45Ti10 catalyst showed excellent NH3-SCR activity and a broaden temperature window (180–390 °C), accompanied with good resistance to SO2 and H2O. It could be concluded that the redox ability of Co0.2Ce0.35Mn0.45Ti10 could be reduced by Co and Ce doping, which resulted in high NH3-SCR activity at high temperature and good resistance of SO2. The addition of Co and Ce can supply more acid sites and NOx adsorption sites over Co0.2Ce0.35Mn0.45Ti10. Thus, more surface Bronsted acid and Lewis acid sites, NOx adsorption sites and modest redox ability of Co0.2Ce0.35Mn0.45Ti10 play key roles in the special NH3-SCR activity due to the interactions among Ce, Co, Mn and Ti oxides. Furthermore, the results of in situ DRIFTS study reveal the NH3-SCR reactions over Co0.2Ce0.35Mn0.45Ti10 and Co0.2Mn0.8Ti10 catalysts are mainly controlled by E-R mechanism (>210 °C) and the L-H mechanism (

The Cux-Nb1.1-x (x = 0.45, 0.35, 0.25, 0.15) bimetal oxides catalysts were synthesized through citric acid method and used in the selective catalytic reduction (SCR) of NO with NH3. The relationship among the catalytic performances, the acid/redox properties and the structures of the binary oxides systems was explored through different characterization techniques including XRD, H2-TPR, BET, NO-TPD, NH3-TPD, XPS and in situ DRIFTS. The characterization results point out that the ratio of Cu to Nb has great influence on the activity of NH3-SCR reaction. Different catalytic activities of Cux-Nb1.1-x (x = 0.45, 0.35, 0.25, 0.15) mixed oxides could be attributed mainly to surface area, acid amount, the adsorption and activation of NH3 and redox ability of the corresponding catalyst. Among these Cux-Nb1.1-x (x = 0.45, 0.35, 0.25, 0.15) oxides catalysts, the Cu0.25-Nb0.85 catalyst exhibited the complete NO conversion in a reaction temperature range of 180-330 °C, together with near 100% N2 selectivity and remarkable SO2/H2O resistance. Moreover, the Cu0.25-Nb0.85 catalyst still exhibited wide activity temperature window of 185-380 °C at above 90% NO conversion even in the presence of 5% H2O under high GHSV of 70,000 h-1. Thus, it can be summarized from the above results that Cu0.25-Nb0.85 can be considered as excellent catalyst for NH3-SCR of NO.

Hydrogen embrittlement is a serious problem in the oil/gas industry. In this work, various iron sulfide (Fe S) films, including iron monosulfide (FeS), pyrite (FeS2), and pyrrhotite (Fe7S8), were synthesized in X80 steel by chemical vapor deposition at 200 °C, 300 °C, 400 °C, and 500 °C. The corrosion resistance and hydrogen permeation properties of the Fe S films were investigated through electrochemical methods. Results indicated that Fe S films significantly improved the hydrogen barrier properties of the X80 steel, which was closely related to the crystal structure type and defects of Fe S films. Defects like microcracks and pinholes during deposition can increase the porosity of the film, resulting in the film properties decreased. Moreover, FeS film (at 300 °C), which had the smallest apparent hydrogen diffusivity (D ˜ 2.64 × 10−7 cm2/s) and apparent subsurface concentration (Capp ˜ 1.12 μmol/cm3), had the best hydrogen barrier properties. The corrosion resistance of FeS film (300 °C) was excellent.

Multiple anthropogenic disturbances have been modifying the structure and diversity of local assemblages worldwide through both introductions of nonnative species and disappearance of native species. Most previous studies have concentrated on the effects of human disturbances on species diversity, but their effects on phylogenetic diversity have been relatively seldom documented. Here, we measured the temporal changes in species and phylogenetic alpha diversity in 12 mainstream regions of the Lancang River (LCR) in the context of hydropower development and widespread exotic invasions. We found that disturbances by dams and widespread introductions of exotic fishes have induced a marked loss of native species (average 36.8 species disappeared per region, accounting for 47.2% of the historical native species) in the downstream regions over time, whereas few native species were disappeared (average 4 species disappeared, accounting for 23.8% of the historical native species) in the upstream regions. In terms of phylogenetic diversity, however, the average taxonomic distinctness (Δ+, a taxonomic proxy for phylogenetic diversity) of the entire assemblages significantly increased (an increase of 4.4% compared to historical Δ+) in all regions, while native Δ+ insignificantly decreased in downstream regions, and the variation in taxonomic distinctness (Λ+, a proxy for variation in phylogenetic diversity) of the entire assemblages significantly increased (24.6%) in downstream regions, while native Λ+ significantly decreased (12.0%) in all regions. Such changes in phylogenetic diversity were triggered by invasions by distantly related exotic species and disappearances of congeneric endemic species. Across the LCR, the relationships between species richness, Δ+, and Λ+ and altitude all became obscure due to the combined effect of introductions and disappearances. In dammed regions, the disappearance rate and rate of change in the taxonomic distinctness of native assemblages showed negative correlations with the distances of cascade dams. Our study showed that intensive hydropower development and exotic invasions have significantly affected both the taxonomic and phylogenetic diversity of fish assemblages in the LCR, especially in its downstream region. However, the response of phylogenetic diversity to human disturbance was inconsistent with that of species diversity, implying that examining the response of phylogenetic diversity could provide additional information for assessing the impacts of human domination.

The electron transport layer (ETL) is one of the most important factors to determine the photovoltage (PV) performance of perovskite solar cells (PSCs), and defects and non-radiative recombination are the negative factors limiting the efficiency improvement of PSCs. Herein, using tin oxide (SnO2) as the electron transport layer and multiple functional groups organic molecule of 3-(formamidinothio)-1-propanesulfonic acid (FTPS) as additive of SnO2, we fabricated a high-effective SnO2-based planar PSC. The introduction of FTPS reduces the oxygen vacancy defects of SnO2 ETLs and accommodates perovskite crystal growth on it. The modification of FTPS improves the conductivity and the electron extraction ability of SnO2, mitigates the trap-state density and carrier non-radiative recombination at the interfaces of SnO2/perovskite. As a result, the PSC based on pristine SnO2 ETL obtains a power conversion efficiency (PCE) of 20.49%, while the champion device based on SnO2 + FTPS (0.3 mg/mL) ETL achieves an efficiency of 22.52% with insignificant hysteresis effect and excellent stability. This effective defect passivation strategy work provides a promising low-cost technology for the preparation of planar PSCs with high efficiency and stability.

Urban household solid waste recycling and management are complex adaptive systems with multiple agents, stages, and elements. Previous studies neglected the impact of municipal residents' behavioral decisions on recycling sectors. In this study, the degree of regret-joy and personality characteristics were introduced into a multi-agent-based model to simulate the action decision-making of agents under different strategies. The results demonstrate that, without the government's role, nearly 60% of municipal residents preferred the informal recycling sector (IFRS). Meanwhile, the formal recycling sectors (FRS) find it difficult to attract urban residents because of their low income levels. Regarding a single policy, the subsidy policy is more beneficial than the regulation policy for increasing the income of the FRS from 20 to 250 Yuan. However, neither of the two single policies can weaken the market competitiveness of the IFRS. Moreover, a comprehensive policy combining both subsidies and regulations has enabled more than 60% of urban residents to choose the FRS, thereby increasing its profit and market share to 270 yuan and 500 kg, respectively. These results provide policy suggestions for optimizing the waste recycling management systems.

Rotor systems carried in transportation system or under seismic excitations are considered to have a moving base. To study the dynamic behavior of flexible rotor systems subjected to time-variable base motions, a general model is developed based on finite element method and Lagrange’s equation. Two groups of Euler angles are defined to describe the rotation of the rotor with respect to the base and that of the base with respect to the ground. It is found that the base rotations would cause nonlinearities in the model. To verify the proposed model, a novel test rig which could simulate the base angular-movement is designed. Dynamic experiments on a flexible rotor-bearing system with base angular motions are carried out. Based upon these, numerical simulations are conducted to further study the dynamic response of the flexible rotor under harmonic angular base motions. The effects of base angular amplitude, rotating speed and base frequency on response behaviors are discussed by means of FFT, waterfall, frequency response curve and orbits of the rotor. The FFT and waterfall plots of the disk horizontal and vertical vibrations are marked with multiplications of the base frequency and sum and difference tones of the rotating frequency and the base frequency. Their amplitudes will increase remarkably when they meet the whirling frequencies of the rotor system.

A series of Cux-Ce0.5-x-Zr0.5 oxides catalysts with different Cu/Ce ratio were synthesized by citric acid method. The catalysts were characterized by XRD, BET surface area, H2-TPR, NH3-TPD, NO-TPD, XPS and in-situ DRIFTS. The synergistic effect between copper and cerium on the catalytic performance of Cux-Ce0.5-x-Zr0.5 for selective catalytic reduction of NO with ammonia was investigated. It was found that the Cu0.2-Ce0.3-Zr0.5 catalyst show the excellent SCR activity, N2 selectivity and H2O/SO2 durability in a low temperature range of 150–270 °C even at high gas hourly space velocity of 84,000 h−1. The strong interaction leads to the improvement of the acidity and the increase in the amount of active oxygen species (oxygen vacancy), which are responsible for the higher activity at low temperatures. The SCR reaction process over Cu0.2-Ce0.3-Zr0.5 was also examined using in-situ DRIFTS. The DRIFTS results indicate that abundant ionic NH4+ (Bronsted acid sites), coordinated NH3 on the Lewis acid sites, as well as highly active monodentate nitrate and bridging nitrate species were the key intermediates in the SCR reaction.

The objective of this study is to quantify the synergistic action of hydrogen and stress concentration on the fatigue properties of pipeline steel. Notch tensile tests and fatigue-life tests were performed on X80 specimens under both a hydrogen partial pressure of 0.6 MPa and a nitrogen environment. The notch tensile results indicate that hydrogen had little influence on the notch strength of the specimens with various stress concentration factor ( Kt ) values; however, as the Kt values increased, there was a decrease in the reduction of area (RA). The results of the fatigue-life tests suggest that the stress concentration severely impaired the fatigue properties, and that further deterioration would occur with hydrogen. The finite element analysis (FEA) results show that the weakest mechanical properties were obtained when Kt was equal to 3.3, due to the synergistic action of the strain and its distribution. This matter should be further considered before hydrogen is blended into existing natural gas pipelines that have been in service for a long period.

The classification of municipal household waste is a complex, adaptive system containing multiple agents, where behavior between the agents is interactive. This study focuses on the willingness of bounded, rational individuals to sort waste within complex social networks, and the evolution of group behavior. An individual cognition-behavior model was established, based on the theory of planned behavior. In this model, the intention underpinning individual waste classification is influenced by the behavioral attitude of the individual, perceived behavioral control, subjective norms, and perceived behavioral results. A multi-agent-based simulation within a social network based on the opinion propagation dynamics and a scale-free network was developed to simulate the behavior change of the agents. The results suggest that under the principle of selective connection and the hypothesis of network growth, the clustering trend of the whole network towards several central nodes becomes increasingly apparent; this means, the degree of network node centralization becomes clear. Lowering the threshold of social information interaction improved the transmission of waste classification information and increased the proportion of urban residents who carry out waste classification. Economic profits and spiritual satisfaction were considered important driving factors that impacted decision-making on waste classification, and effectively stimulated the willingness of urban residents to implement waste sorting behavior. Notably, official organizations and institutions, that is, influencers with higher connectivity were found to have a greater influence on the decisions made by residents. These findings are useful as a theoretical reference to inform the development of waste management policies.

Herein, two-dimension (2D) δ-MnO2-modified porous g-C3N4/micro-mesoporous titanium phosphate (MO-CN/TiP) nanocomposites have been controllably fabricated by a two-step solvothermal process. The amount-optimized MO-CN/TiP nanocomposite exhibits greatly improved photocatalytic CO oxidation performance (87%) compared with corresponding bare TiP and CN/TiP, even superior to the commercial P25 TiO2. Based on the experimental results of time-resolved surface photovoltage responses, photocurrent action spectra, and electron paramagnetic resonance signals, it is clearly confirmed that the exceptional photoactivity is mainly attributed to the great promotion in the Z-scheme charge transfer in resultant dimension-matched CN/TiP nanocomposite and in the O2 activation via the modified MO. The porous structure favorable to increase the specific surface areas and to facilitate the mass diffusion and the extended visible-light absorption also contribute to the photoactivity enhancement. Moreover, it is uncovered by the in-situ diffuse reflectance fourier transform infrared spectra that CO is previously adsorbed by the formed OH OC intermediate with the surface hydroxyls and then oxidized.

The La1.6Ba0.4NiO4-x%BaO (x = 0, 5, 10, 15, 20, 25, 30) catalysts were prepared by heating the mixture of Ba(NO3)2 and La1.6Ba0.4NiO4 in situ, and their catalytic performances were evaluated for NO direct decomposition. The results showed that the activities of the La1.6Ba0.4NiO4-x%BaO catalysts had been improved with the increasing of BaO amount. Among these catalysts, the La1.6Ba0.4NiO4-20%BaO exhibited the best catalytic performance for NO direct decomposition, and the yield of N2 kept 57% during 500 h at 923 K in the absence of O2, even the concentration of O2 was 0.2% in the feed, the N2 yield still up to 57% at 923 K. So much higher activity for the perovskite(-like) oxides catalysts at such reaction temperature was first observed. In order to understand the role of BaO, a serial of experiments and characterizations were carried out on the La1.6Ba0.4NiO4-x%BaO catalysts. The results revealed that the number of chemical adsorption oxygen adsorbed on the oxygen vacancies increased and the mobility of the lattice oxygen could be improved due to the BaO addition. Moreover, BaO may play an important role in NOx transportation and storage, which is favorable for the regeneration of the active sites.

Inhibition of p97 (also known as valosin-containing protein (VCP)), has been validated as a promising strategy for cancer therapy. Eeyarestatin I (EerI) blocks p97 through a novel mechanism of action and has favorable anti-cancer activities against cultured cancer cells. However, its poor aqueous solubility severely limits its in vivo applications. To circumvent this problem, we have identified EerI derivatives that possess improved aqueous solubility by introducing a single solubilizing group. These modified compounds preserved endoplasmic reticulum (ER) stress-inducing and antiproliferative activities as well as generally good in vitro metabolic properties, suggesting that these EerI derivatives could serve as candidates for further optimization.

Ni(0.4)-MnO x catalyst was prepared by citrate combustion, which showed high catalytic performance for NH 3 -SCR reaction. After the resistance tests of SO 2 and H 2 O, Ni(0.4)-MnO x -SH showed better NH 3 -SCR activity than that of Ni(0.4)-MnO x , when the temperature was > 240 °C. The characterizations suggest that Ni(0.4)-MnO x -SH has more acid sites for ammonia adsorption and far weaker oxidation capacity for NH 3 , which resulted in the high catalytic activity at middle-temperature.

The influence of H2S interaction with prestrain on the mechanical properties of high-strength X80 steel was investigated by slow strain rate tensile tests and hydrogen content measurements. Results showed that elongation to failure first decreased and then increased with increasing prestrain. Moreover, hydrogen content decreased but the relative hydrogen embrittlement(HE) susceptibility, determined by measuring the relative reduction in failure time, increased as H2S introduction changed from the origin to the plastic stage. Fractography exhibited brittle fracture for H2S-introduced specimens and necking phenomenon decreased significantly compared with H2S-free specimens. Secondary cracks in the lateral fracture surface increased with increasing prestrain, indicating higher HE susceptibility. The observations were discussed on the basis of the hydrogen-enhanced decohesion mechanism, H2S interaction with prestrain was closely associated with mechanical property degradation.

In our continued effort to discover new anti-hepatitis C virus (HCV) agents, we validated the anti-replicon activity of compound 1, a potent and selective anti-HCV hydroxamic acid recently reported by us. Generally favorable physicochemical and in vitro absorption, distribution, metabolism, and excretion (ADME) properties exhibited by 1 made it an ideal parent compound from which activity-based protein profiling (ABPP) probe 3 was designed and synthesized. Evaluation of probe 3 revealed that it possessed necessary anti-HCV activity and selectivity. Therefore, we have successfully obtained compound 3 as a suitable ABPP probe to identify potential molecular targets of compound 1. Probe 3 and its improved analogs are expected to join a growing list of ABPP probes that have made important contributions to not only the studies of biochemical and cellular functions but also discovery of selective inhibitors of protein targets.

The (AlCrTiZrV)N high-entropy alloy nitride film was prepared on a silicon wafer using reactive magnetron sputtering in a mixed gas of N2 and Ar. The effect of different N2:Ar flow ratios (0:4, 1:4, 3:4, 1:1, 5:4, 3:2) on the microstructure and mechanical properties of the films was investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM) and nano-indentation techniques. The results show that the AlCrTiZrV high-entropy alloy film presents an amorphous state and the hardness and elastic modulus were at a low value, When sputtered at a low N2:Ar flow ratio. With the increase of N2:Ar flow ratio, the appearance of (200) and (220) peaks in the XRD patterns and the preferential growth of (200) crystal plane indicated that crystallinity of the films was improved. With the increase of the N2: Ar flow ratio, the sputtering rate of the film decrease, the hardness and elastic modulus first increased and then decreased. Especially, when N2:Ar flow ratio was 3:4, the maximal hardness and elastic modulus of 34.9 GPa and 323.8 GPa were reached, respectively.

The sorting and recycling of municipal household waste (MHW) as a complex adaptive system is becoming increasingly popular in current research. However, traditional simulation modeling ignores the important influence of anticipated regret and personality traits on individual choice behavior. This study introduces the degree of regret-joy in agent-based simulation modeling and designs a learning rule that takes into account the personality characteristics of individuals, their neighbors, and historical information to analyze the waste sorting behavior of municipal residents. The results suggest that the number of people participating in formal recycling approaches is significantly higher than informal recycling approaches after accounting for the economic profits of formal recycling approaches. Our results also reveal that subsidies are an important factor influencing the waste sorting behavior of municipal residents. However, simply reducing the time required for a formal recycling approach does not affect the behavioral decisions of municipal residents. Only improving the accessibility of facilities in formal recycling approaches on the premise of regulating the informal recycling market, will the number of municipal residents participating in the former increase significantly. The intensity of communication and learning among municipal residents also affects the volatility of decision-making. When intensity is high, group decision-making changes greatly, but at low intensity, group behavior tends to be stable. These findings are useful as a theoretical reference for the development of waste management policies.

Herein, novel Z-scheme iron phthalocyanine (FePc)/porous WO3 nanocomposites as efficient photocatalysts have been controllably synthesized based on the resulting porous WO3 pre-prepared by a hydrothermal process. The key is to make FePc assemble uniformly onto porous WO3 by hydroxyl induction for their close contacts via H-bonding. The optimized 0.8FePc/P-WO3 nanocomposite exhibits about 8-fold high photoactivity for reducing CO2 to CO and CH4 compared with the reported WO3 nanoplate, attributed to the increased specific surface, enhanced charge separation and extended visible-light utilization. Interestingly, the enhanced charge separation mainly depends on the novel Z-scheme transfer process with the un-overlapped optical absorption, along with the provided catalytic function of central Fe2+ in FePc for CO2 reduction mainly by means of the dual wavelength photocurrent action spectra, the electrochemical reduction tests, and the in-situ diffuse reflectance FTIR spectra. Moreover, it is also feasible to replace FePc with other MPcs.

In this study, we develop a synergistic modulation of the thermal conductivity and power factor of Cu3SbSe4-based materials through Sn and Zr or Hf co-doping by using a facile microwave-assisted solvothermal method. A series of Cu3Sb1-xMxSe4 (M = Zr or Hf, x = 0, 0.02, 0.04, 0.06 and 0.08) compounds are firstly synthesized through the microwave-assisted solvothermal method combined with spark plasma sintering (SPS) process. The effect of Zr and Hf doping on the thermoelectric properties of Cu3Sb1-xMxSe4 (M = Zr or Hf) has been investigated. With increasing the content of Hf and Zr, the thermal conductivity of Cu3Sb1-xMxSe4 (M = Zr or Hf) is obviously decreased to 0.518 Wm−1K−1 of Cu3Sb0.92Hf0.08Se4 and 0.433 Wm−1K−1 of Cu3Sb0.92Zr0.08Se4 at 623 K, respectively. In addition, Sn doping further improves the low electrical conductivity and boosts the power factor, yielding a peak zT value of ~0.82 of Cu3Sb0.91Sn0.03Hf0.06Se4 at 623 K, which is ~228% higher than that of the pristine Cu3SbSe4. Our work provides a new methodology for the decoupling of thermal and electrical properties of the Cu3SbSe4-based thermoelectric materials.

This paper constructs a five-variable time-varying vector autoregressive model based on oil price, oil aggregate supply, oil aggregate demand, global oil inventory, and speculative demand. This model is used to study the dynamic impacts of different oil shocks on oil price from 2002 to 2018, focusing on how different oil shocks affect oil price fluctuation over time. Empirical results show that each type of oil shocks has significantly time-varying characteristics and the impact strength is the greatest under the one-stage lag (i.e. one month), and the impact effect almost disappears around the fifth period. Also, the impacts of important event shocks on oil price volatility are tremendous and have a serious negative impact on the global economy. In addition to the oil specific demand shock (i.e. oil price itself), the dominant factor in oil price after the financial crisis is global oil inventory. Finally, this paper provides some policy suggestions based on the findings.

Effects of shot-peening (SP) treatment on the hydrogen embrittlement of X80 steels were investigated. The results showed SP treatment improved the HE resistance of X80 steels, which was owed to the significant concentrations of reversible and irreversible traps. However, the protective action decreased as the SP-treatment period was extended. The notch fatigue tests showed the SP treatment improves the fatigue life of X80 steels by inhibiting crack initiation. Hydrogen-accelerated crack growth governed the reduction in the fatigue life of the SP-treated specimens. At low hydrogen contents, the SP layer protected the mechanical properties of the X80 steels from hydrogen-related degradation.

The analysis of an A333Gr6 pipeline failure was conducted after exposure to high H 2 S partial pressure for several hours. Chemical composition, metallurgical structure, steel pipe hardness, and the welding joint near the broken position were studied. The chemical compositions of corrosion products inside the steel pipe were also analyzed. Results show that corrosion products consist of Fe 3 O 4 and FeOOH without ferrous sulfide. Stress analysis was obtained through the finite element analysis method. The failure analysis and calculation results show that spontaneous ferrous sulfide combustion in a high H 2 S environment leads to high temperature and pressure in the pipe, resulting in pipeline breakage.

The mechanism of oxide inclusion-induced pitting corrosion in 316L stainless steel exposed to sulphur environments containing chloride ions was investigated by scanning electron microscope analysis, electrochemical measurements and scanning Kelvin probe force microscopy (SKPFM). Two inclusion types were observed. The (Mg, Al, Ca)-oxide inclusions play an important role in pitting formation. SKPFM measurement results show that the inclusion sites exhibited a lower surface potential than the matrix. Finally, the schematic representation of the initiation and propagation process of the (Mg, Al, Ca)-oxide inclusion-induced pitting corrosion in 316L stainless steel exposed to sulphur environments containing chloride ions was established.

Cofactor-type inhibitors of inosine monophosphate dehydrogenase (IMPDH) that target the nicotinamide adenine dinucleotide (NAD) binding domain of the enzyme are modular in nature. They interact with the three sub-sites of the cofactor binding domain; the nicotinamide monophosphate (NMN) binding sub-site (N sub-site), the adenosine monophosphate (AMP) binding sub-site (A sub-site), and the pyrophosphate binding sub-site (P sub-site or P-groove). Mycophenolic acid (MPA) shows high affinity to the N sub-site of human IMPDH mimicking NMN binding. We found that the attachment of adenosine to the MPA through variety of linkers afforded numerous mycophenolic adenine dinucleotide (MAD) analogues that inhibit the two isoforms of the human enzyme in low nanomolar to low micromolar range. An analogue 4, in which 2-ethyladenosine is attached to the mycophenolic alcohol moiety through the difluoromethylenebis(phosphonate) linker, was found to be a potent inhibitor of hIMPDH1 (Ki = 5 nM), and one of the most potent, sub-micromolar inhibitor of leukemia K562 cells proliferation (IC50 = 0.45 μM). Compound 4 was as potent as Gleevec (IC50 = 0.56 μM) heralded as a ‘magic bullet’ against chronic myelogenous leukemia (CML). MAD analogues 7 and 8 containing an extended ethylenebis(phosphonate) linkage showed low nanomolar inhibition of IMPDH and low micromolar inhibition of K562 cells proliferation. Some novel MAD analogues described herein containing linkers of different length and geometry were found to inhibit IMPDH with Ki’s lower than 100 nM. Thus, such linkers can be used for connection of other molecular fragments with high affinity to the N- and A-sub-site of IMPDH.

A novel approach to improve the antiviral efficacy of nucleoside reverse transcriptase inhibitors (NRTIs) and reduce their side effects was developed by constructing a nanosized NRTI monophosphate-polymer conjugate using d4T as a model NRTI. Firstly, a novel chitosan-O-isopropyl-5'-O-d4T monophosphate conjugate with a phosphoramidate linkage was efficiently synthesized through Atherton-Todd reaction under mild conditions. The anti-HIV activity and cytotoxicity of the polymeric conjugate were evaluated in MT4 cell line. Then the conjugate nanoparticles were prepared by the process of ionotropic gelation between TPP and chitosan-d4T conjugate to improve their delivery to viral reservoirs, and their physicochemical properties were characterized by transmission electron microscopy (TEM), dynamic light scattering (DLS) techniques and X-ray diffraction (XRD). In vitro drug release studies in pH 1.1 and pH 7.4 suggested that both chitosan-d4T conjugate and its nanoparticles prefer to release d4T 5'-(O-isopropyl) monophosphate than free d4T for prolonged periods, which resulted in the enhancement of anti-HIV selectivity of the polymeric conjugate relative to free d4T due to bypassing the metabolic bottleneck of monophosphorylation. Additionally, the crosslinked conjugate nanoparticles can prevent the coupled drug from leaking out of the nanoparticles before entering the target viral reservoirs and provide a mild sustained release of d4T 5'-(O-isopropyl) monophosphate without the burst release. The results suggested that this kind of chitosan-O-isopropyl-5'-O-d4T monophosphate conjugate nano-prodrugs may be used as a targeting and sustained polymeric prodrugs for improving therapy efficacy and reducing side effects in antiretroviral treatment.

Lycorine potently inhibits flaviviruses in cell culture. At 1.2-microM concentration, lycorine reduced viral titers of West Nile (WNV), dengue, and yellow fever viruses by 10(2)- to 10(4)-fold. However, the compound did not inhibit an alphavirus (Western equine encephalitis virus) or a rhabdovirus (vesicular stomatitis virus), indicating a selective antiviral spectrum. The compound exerts its antiviral activity mainly through suppression of viral RNA replication. A Val-->Met substitution at the 9th amino acid position of the viral 2K peptide (spanning the endoplasmic reticulum membrane between NS4A and NS4B proteins) confers WNV resistance to lycorine, through enhancement of viral RNA replication. Initial chemistry synthesis demonstrated that modifications of the two hydroxyl groups of lycorine can increase the compound's potency, while reducing its cytotoxicity. Taken together, the results have established lycorine as a flavivirus inhibitor for antiviral development. The lycorine-resistance results demonstrate a direct role of the 2K peptide in flavivirus RNA synthesis.

Benzo[b]thienyl hydroxamic acids, a novel class of histone deacetylase (HDAC) inhibitors, were identified via a targeted screen of small molecule hydroxamic acids. Various substitutions were explored in the C5- and C6-positions of the benzo[b]thiophene core to characterize SAR and develop optimal inhibitors. It was determined that substitution at the C6-position of the benzo[b]thiophene core with a three-atom spacer yielded optimal HDAC1 inhibition and anti-proliferative activity in murine erythroleukemia (SC-9) cells.

The chemical synthesis of 4-phenoxybenzamide adenine dinucleotide (3), a NAD analogue which mimics isoniazid-NAD adduct and inhibits Mycobacterium tuberculosis NAD-dependent enoyl-ACP reductase (InhA), is reported. The 4-phenoxy benzamide riboside (1) has been prepared as a key intermediate, converted into its 5′-mononucleotide (2), and coupled with AMP imidazolide to give the desired NAD analogue 3. It inhibits InhA with IC50 = 27 μM.