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Hydrogen generation by water electrolysis using solid oxide electrolysis cells (SOECs) is highly promising because of the favorable thermodynamics and kinetics. Commercial applications require SOEC operating at high current densities (ǀiǀ≥1 A·cm−2) to achieve substantial hydrogen production rates. This study demonstrates the operation of a full-size Ni–yttria-stabilized zirconia (Ni–YSZ) cell with an effective area of 16 cm2 at −2 A·cm−2 for 336 h, illustrating the feasibility of operating SOECs at a high current density. The electrochemical characteristics of the SOEC evolved during constant current electrolysis, exhibiting an activation stage with a degradation rate (DR) of 54.6 mV/100 h, followed by a rapid decline process(DR: 180.9 mV/100 h), a gentle decline period (DR: 105.5 mV/100 h), and a stable stage (DR: 11.0 mV/100 h). The contributions of individual processes to cell degradation during each process are identified using the distribution of relaxation times (DRT) and subsequent equivalent circuit model (ECM) fitting. The results suggest that the Ohmic resistance, ionic transport and charge-transfer reaction in the Ni-YSZ fuel electrode contribute the most to performance loss. Ni redistribution is regarded as the dominant degradation mechanism, as verified by detailed post-test characterization. • The degradation of Solid oxide electrolysis cell operating at high current density was studied. • The relaxation time to stability under high current density is shorter. • The degradation stage is divided into more detailed 4 stages. • The degradation in the fuel electrode contribute most of the cell's performance loss. • Sr segregation are observed without generation of high resistance phases. [ABSTRACT FROM AUTHOR]

Convolutional Neural Networks (CNNs) have been widely employed for image Super-Resolution (SR) in recent years. Various techniques enhance SR performance by altering CNN structures or incorporating improved self-attention mechanisms. Interestingly, these advancements share a common trait. Instead of explicitly learning high-frequency details, they learn an implicit feature processing mode that utilizes weighted sums of a feature map's own elements for reconstruction, akin to convolution and non-local. In contrast, early dictionary-based approaches learn feature decompositions explicitly to match and rebuild Low-Resolution (LR) features. Building on this analysis, we introduce Trainable Feature Matching (TFM) to amalgamate this explicit feature learning into CNNs, augmenting their representation capabilities. Within TFM, trainable feature sets are integrated to explicitly learn features from training images through feature matching. Furthermore, we integrate non-local and channel attention into our proposed Trainable Feature Matching Attention Network (TFMAN) to further enhance SR performance. To alleviate the computational demands of non-local operations, we propose a streamlined variant called Same-size-divided Region-level Non-Local (SRNL). SRNL conducts non-local computations in parallel on blocks uniformly divided from the input feature map. The efficacy of TFM and SRNL is validated through ablation studies and module explorations. We employ a recurrent convolutional network as the backbone of our TFMAN to optimize parameter utilization. Comprehensive experiments on benchmark datasets demonstrate that TFMAN achieves superior results in most comparisons while using fewer parameters. The code is available at https://github.com/qizhou000/tfman. • A novel Trainable Feature Matching (TFM) module for super-resolution is proposed. • An lightweight improvement for Non-Local (self-attention) is proposed. • Comprehensive experiments is conducted with BI, BD and DN degradation models. • Our method achieves best super-resolution results on multiple benchmarks. [ABSTRACT FROM AUTHOR]

Consensus-based distributed filtering is an effective technique for state estimation or data fusion over sensor networks. However, nonlinearity of systems as well as network-induced incomplete information problems are the main obstacles on the way. In this paper, we deal with the distributed filtering of nonlinear systems over sensor networks with incomplete measurements. A perception of credibility evaluation on nodes' estimations is presented, followed by a novel credibility weight design method. The weights are redistributed by nodes' estimations in a normal fashion at each time step. The convergence of data fusion with the weights is proved. Further the credibility weight method is integrated into the general consensus-based cubature information filtering algorithm to handle various incomplete measurement problems. Numerical experiments, in the case of unknown noise statistics, measurement interference and measurement missing, demonstrate the effectiveness and robustness of the proposed algorithm. [ABSTRACT FROM AUTHOR]

MXenes, as a new family of 2D materials, have attracted extensive attention for their high electrical conductivity and good electrochemical cycling stability. However, due to the self-stacking nature of MXene materials, the actual specific capacity (260 mAh g−1) of V 2 CT x MXene materials as anodes is much lower than the theoretical specific capacity (940 mAh g−1). Herein, we designed a novel Co-MOF/V 2 CT x composite (denoted as Co-MOF/V 2 CT x), where Co-MOF was in situ grown on the surface and interlayer of the V 2 CT x MXene with larger interlayer spacing. The MOF in the composite provides the additional specific capacity as well as effectively prevented the restacking of V 2 CT x MXene, which exposed more Li+ active sites. Besides, benefiting from the high conductivity, electrochemical stability, and strong bonding with the Co-MOF at the interface of MXene, the structural stability of Co-MOF itself in composite materials can be better improved. Consequently, the cells with Co-MOF/V 2 CT x anodes realize a high specific capacity of 484.3 mAh g−1 after 120 cycles at 100 mA g−1 and superior cycling stability even at a higher current density of 500 mA g−1. The unique synergistic design of this work can provide new ideas for the development of MXene-based composites in energy storage applications. • A pure V 2 CT x MXene with a larger interlayer spacing was obtained under HF solution etching. • The electrostatic interaction of Co2+ with V 2 CT x results in better in situ growth of Co-MOF on V 2 CT x. • The Co-MOF in the composite provides the additional specific capacity as well as prevented the restacking of V 2 CT x. [ABSTRACT FROM AUTHOR]

Abstract The Monte Carlo simulation has been applied to study the magnetic behaviors of a bilayer graphene nanoisland structure on a triangular lattice by modeling the ferrimagnetic Ising system with spin-5/2 and spin-2. The temperature dependence of magnetization, susceptibility and internal energy curves of the system and two sublattices with the influence of the anisotropy, the exchange coupling, the external magnetic field and the size index have been discussed in detail. The diagrams of the blocking temperature under the effects of different parameters have been obtained. The results show the anisotropy plays a significant role in controlling the magnetic properties of the bilayer graphene nanoisland structure. Highlights • The ferrimagnetic mixed-spin (5/2, 2) bilayer graphene nanoisland in the longitudinal magnetic field has been studied. • Magnetization, susceptibility, internal energy and blocking temperature have been discussed. • The diagrams of the blocking temperature under the effects of different parameters have been obtained. [ABSTRACT FROM AUTHOR]

Highlights • Coordination number and strain state affect the vacancy formation in twin boundary. • The vacancy diffusion in 10 1 ¯ 2 , 10 1 ¯ 1 and 11 2 ¯ 2 TBs planes is unidirectional. • The vacancy diffusion in (11 2 ¯ 1) TB plane is isotropic. • Low formation energy and migration barrier of vacancy enhance atom transport in TBs. Abstract The distinct atomic structure of twin boundary (TB) significantly affects the physical and mechanical behaviors of materials. In this work, the local atomic structure, the formation and diffusion of vacancy in (10 1 ¯ 2), (11 2 ¯ 1), (11 2 ¯ 2) and (10 1 ¯ 1) TBs of α-Ti were investigated in details using ab initio calculations. Our calculations illustrated that most atoms at or close to the TBs have lower atom coordination number (CN), thereby experiencing the positive changes of local volume and tension strain. The CN and strain state significantly affect the vacancy formation. It's shown that vacancy can easily form in these TBs, with the lower formation energy in the range of 1.26–1.59 eV. Our calculations further shown vacancy diffusion are somewhat anisotropic in 10 1 ¯ 2 , 10 1 ¯ 1 and 11 2 ¯ 2 TBs planes. Vacancy prefers to diffuse along the direction of 1 ¯ 2 1 ¯ 0 in (10 1 ¯ 2) and (10 1 ¯ 1) TBs, and along the twinning direction of 11 2 ¯ 3 ¯ in 11 2 ¯ 2 TB, with the migration barriers of ∼0.43, ∼0.27, and ∼0.31 eV, respectively. Vacancy diffusion in (11 2 ¯ 1) TB plane is isotropic, with the migration barrier of ∼0.25 eV. Our calculations demonstrated that the fast diffusion channel mediated by vacancy for metallic atoms transport in these TBs can be mainly ascribed to the lower migration barrier and formation energy of vacancy in TBs. [ABSTRACT FROM AUTHOR]

Abstract The intestinal microbiota plays crucial roles in the nutrition uptake and metabolism in a herbivorous fish, the grass carp (Ctenopharyngodon idella). Based on the 16S rRNA amplicon data, Firmicutes and Proteobacteria were the two predominant phyla along the intestine; bacterial richness and Shannon diversity index were higher in the middle-intestine than in the fore- and hind-intestine of the grass carp. A significant reduction in Halomonas and Shewanella number was observed in the middle- and hind-intestine as compared with that in the fore intestine; in contrast, a higher relative abundance of Bacteroides , Erysipelotrichaceae, and Cetobacterium was observed in the hind-intestine than in the fore- and middle-intestine. Microbiota located in the fore-, middle-, and hind-intestine formed a unique ecological network model of interspecific interactions. The dominant intestinal microbiota was a major component of the network, and many operational taxonomic units from the dominant microbiota served as connectors and module hubs in the network, which contributed to the homeostasis of the intestinal microbiota. Competitive interactions predominated in the microbial community in the fore- and middle-intestine, whereas cooperative interactions were dominant in the hind-intestine. Predicted function analysis (PICRUSt) showed that microbial function composition significantly changed along the intestine. In the nutrition metabolism, the carbohydrate metabolism functions of the microbiota were increased along the intestine, but the opposite trend was detected in lipid metabolism. The microbiota in the middle-intestine played a more important role in amino acid and energy metabolism, while the hind-intestine was the main site for fiber fermentation, where the predominant positive interactions of microbiota could enhance the ability of the grass carp to obtain more nutrients and energy from plants. Generally, our results suggested that the microbial competition significantly varied along the intestine, as well as the microbial function composition, and complex interspecific interactions promoted the carbohydrate fermentation of intestinal microbiota of grass carp. Highlights • The composition of microbial communities differed in different intestinal regions of grass carp. • An increasing relative abundance of cooperative interaction was observed in • microbial communities from fore to hind intestine. • The dominant microbiota performed an important role in the ecological network. • The carbohydrate metabolism capacity of microbiota gradually increased along the intestine. [ABSTRACT FROM AUTHOR]

Highlights • miR-381 was decreased in CCI rats, and overexpression of miR-381 depressed neuroinflammation. • HMGB1 and CXCR4 were predicted as downstream targets of miR-381 and miR-381 modulated HMGB1 and CXCR4 expression negatively. • miR-381 might act as a potential therapeutic target for neuropathic pain development. Abstract MicroRNA are significant regulators of neuropathic pain development. Neuroinflammation contributes a lot to the progression of neuropathic pain. miR-381 is involved in various pathological processes. However, the role of miR-381 in neuropathic pain development remains barely understood. Therefore, in our study, we aimed to investigate the effects of miR-381 on the process of neuropathic pain progression by establishing a rat model using chronic sciatic nerve injury (CCI). Here, we observed that miR-381 was dramatically decreased in CCI rats. Up-regulation of miR-381 strongly reduced neuropathic pain behaviors including mechanical and thermal hyperalgesia. In addition, inflammatory cytokine expression, including IL-6, IL-10 and TNF-α were significantly repressed by overexpression of miR-381. High mobility group box 1 protein (HMGB1) and Chemokine CXC receptor 4 (CXCR4) participate in neuropathic pain development. In our present study, HMGB1 and CXCR4 were predicted as direct targets of miR-381 by employing bioinformatics analysis. Overexpression of miR-381 was able to restrain the expression of HMGB1 and CXCR4 greatly. The direct correlation between HMGB1 and CXCR4 and miR-381 was confirmed in our research. Furthermore, we found that HMGB1 and CXCR4 were increased in CCI rats time-dependently. Moreover, it was demonstrated that silence of HMGB1 and CXCR4 in CCI rats depressed neuropathic pain progression greatly. In conclusion, it was indicated that miR-381could inhibit neuropathic pain development through targeting HMGB1 and CXCR4. [ABSTRACT FROM AUTHOR]

[Display omitted] • CaCu 3 Ti 4 O 12 (CCTO) was firstly adopted to activate sulfite for As(III) removal. • Cu and Ti bimetals heterogeneously activate sulfite on the catalyst interface. • SO 4 •− was predominately responsible for As(III) oxidation. • A kinetic model of CCTO/sulfite system was established. A new activation technology for sulfite (S(IV)) using a perovskite CaCu 3 Ti 4 O 12 (CCTO) catalyst has been proposed to remediate the As(III) polluted water. When 0.05 g·L−1 CCTO and 0.4 mmol·L−1 S(IV) were mixed, 90.6% of As(III) could be removed in 30 min at an initial pH of 8.0. Dissolved oxygen played an indispensable role in the reaction. CCTO can interact with S(IV) via a heterogeneous catalytic route on its surface. Electrochemical characterization indicated that the electron transfer process between the surface Cu/ Ti atoms and S(IV) ions evoked the activation of S(IV), leading to the generation of SO 4 •−, which played a dominant role in the oxidation of As(III). Density functional theory (DFT) calculations have disclosed the spontaneous adsorption of sulfite on CCTO surface. A kinetics study determined the steady-state concentration of SO 4 •− to be 4.29 × 10−14 mol·L−1, which reacts with As(III) with a second-order reaction rate constant of 3.83 × 1010 L·mol−1·s−1. Furthermore, the CCTO catalyst was highly reusable, the structure of which did not significantly alter during the reaction. Therefore, the CCTO/S(IV) system is a promising and efficient advanced oxidation technique for the purification of As(III) in water. [ABSTRACT FROM AUTHOR]

Background Hepatic gluconeogenesis plays an important role in regulating fasting plasma glucose levels and is a target of anti-diabetic drugs. Several kinds of iridoid glucosides exhibit hypoglycemic effect, whereas the mechanism was not clear. Aim of the study In this study, the effects of geniposide and gentiopicroside, two natural iridoid glucosides, on hepatic gluconeogenesis were investigated. Methods Glucose uptake assay, MTT assay, q-PCR, luciferase assay and western blot assay were performed to investigate the pharmacological effect of geniposide and gentiopicroside on human liver cell line L02. Thereby the fast blood glucose and intraperitoneal glucose tolerance were measured in high fat diet induced hyperglycemic mice after geniposide or gentiopicroside administration. Results The results showed that geniposide and gentiopicroside inhibited the transcription of G6PC and PEPCK in L02 cells and in mice. Additional experimental data indicated that these two compounds were able to inhibit the transcriptional activity of FOXO1 by inducing phosphorylation of AKT at Ser473. Furthermore, we found that these two compounds alleviated high fat diet induced hyperglycemia in mice. Conclusions Geniposide and gentiopicroside might reduce blood glucose and suppress hepatic gluconeogenesis by regulating the AKT-FOXO1 pathway, and the potential use of these two iridoid glucosides as anti-diabetic agents merits further in-depth exploration. [ABSTRACT FROM AUTHOR]

The composites with interfacial self-healing ability are smart and promising materials in the future. Although some approaches have been used to heal the micro-cracks in composite materials, it is still a great challenge to develop a versatile strategy to fabricate multifunctional interface for self-healing. Here, boron nitride nanosheets (BN) are immobilized onto PBO fibers by facile polydopamine (PDA) chemistry. Benefiting from the photothermal effect of BN-PDA, the obtained surface layer displays interfacial self-healing properties under Xenon light irradiation. [ABSTRACT FROM AUTHOR]

Bimetallic surface alloys have been considered as an effective strategy to achieve better catalytic performance and to modify the work function of the substrate toward metal-gate electrode application. We perform a systematical investigation of Group 10 and Group 11 transition metals adsorption on Rh (111), Ru (0001) and W (110) surfaces with various coverages using first-principles method. Through comparing the Bader charge results and the plots of work function shift, it is found that the polarization effect plays an important role in modification of the bimetallic surface work functions rather than the charge transfer effect especially at low coverages. The coverage-dependent work function behavior gives a general feature: as it has a large negative shift at 0.25ML coverage, then increases almost linearly with the coverage and followed by a saturation value which is controlled by the lattice strain. It is also found that the metal over-layer growth modes are correlated with the specific features of the coverage-dependent metal-substrate adhesion energy. All these findings may give some guidelines for the bimetallic catalysts design in terms of growth, stability and activity. [ABSTRACT FROM AUTHOR]

In the present study, we report a direct and nondestructive method to functionalize carbon nanotubes (CNTs). Novel highly reactive diarylcarbene derivative is designed and synthesized. Different to previous approaches, this diarylcarbene contains atomic transfer radical polymerization (ATRP) initiator segments, which can serve as starting points for further polymer grafting. Then, the initiator segments are covalently bonded to the CNTs via one-step cycloaddition of diarylcarbene and the succeeding ATRP links polystyrene (PS) chains to the CNTs. In order to further verify the effectiveness of modification, we use the obtained CNTs (PS- f CNTs) as reinforcement to enhance PS films. By addition 0.5 wt% PS-fCNTs, the PS composite films reveal 79.3 and 85.2% increases in tensile strength and Young's modulus. The protocol is believed to offer alternate strategy to modify the CNTs and greatly expand the application field of CNTs in material science. [ABSTRACT FROM AUTHOR]

The Neolithic transition, defined as the shift from a hunter-gatherer economy into the one based on agricultural activities, is assumed to have resulted in extensive human population growths. Despite major progress has been made by archaeologists in the use of archaeobotanic data to reconstruct a reliable time frame of Neolithic transition in China, the roles played by Neolithic transition in East Asian demographic history are not yet well understood. This paper offers a perspective on the issues regarding when and how the East Asian population expanded and its consequences. Considering diverse genetic evidences, we revealed that, in East Asia, there were at least two population expansion events in the Paleolithic Era and notably, the latter Paleolithic expansion and climate improvement after Last Glacial Maximum (LGM, about 15 ka) might together facilitate the emergence of agriculture. In comparison to the Paleolithic expansion, Neolithic expansion had its own characteristics, such as stronger expansion dynamics and sex-specific expansion pattern. According to the Y-chromosome-based tree in our recent studies, we found strong signals of partial paternal lineage expansions during or after the Neolithic transition, for instance, O3a2c1a-F5 (Oα), O3a2c1-F46 (Oβ), O3a1c1-F11 (Oγ), C3a1-F2613 (Cα), Q1a1-M120 (Qα), and O1a1a1-F78 (Oδ), suggesting the influence of a strong bottleneck caused by cultural changes. Finally, we discussed the relationship between major East Asian paternal lineages and linguistic families, as well as early archeology cultures, linking the Daxi culture to the modern Hmong-Mien populations, the Liangzhu Culture and/or Songze Culture to modern Austronesian and Daic populations, and Yangshao Culture, Dawenkou Culture and/or Longshan Culture, and Hongshan Culture to modern Sino-Tibetan populations. [ABSTRACT FROM AUTHOR]

In this virtual special issue editorial, we examine the claims put forward by studies concerning East Asian language learners' reticence and willingness to communicate (‘WTC’) published in System between 2000 and 2015. The selected articles have explored why and how language learners are willing to participate or choose to be reticent in classroom activities in a variety of contexts including Japan, Korea, Mainland China, Hong Kong, Macau, New Zealand, and Taiwan. The findings encourage language teachers to involve East Asian language learners in pedagogical activities as these learners are not culturally conditioned to be silent and passive. The selected articles also remind language teachers of the importance of managing various individual and contextual factors underlying these learners' willingness to communicate in classes. With this editorial, we invite our readers to react to the selected articles and help us deepen engagement with these issues so that we can promote language learners' classroom participation. [ABSTRACT FROM AUTHOR]

• MMA-grafted PP is prepared with enhanced DC resistivity and more deep traps. • Trap characteristics of MMA-grafted PP based on TSDC is quantitatively analyzed. • MMA deepens the inherent PP trap depth and introduces a new deep trap of 1.8 eV. In this paper, the thermally stimulated depolarization current (TSDC) spectrum of methyl methacrylate (MMA)-grafted polypropylene is quantitatively analyzed by our TSDC peak separating algorithm. The separated trap peaks and extracted trap parameters are verified to be effective and credible by the experimental peak-separating method based on thermo-cleaning. The trap analysis on pristine and MMA-grafted polypropylene is carried out and indicates that grafting MMA can introduce a new high-depth trap peak at about 1.8 eV, meanwhile the intrinsic trap of polypropylene is deepened. This work would provide an opportunity to advance the understanding of trap characteristics in grafting-modified polypropylene. [ABSTRACT FROM AUTHOR]

• Diverse rice samples are suitable for an accuracy NIR assay of apparent amylose, amylose and amylopectin content simultaneously. • Calibration optimal equations of NIRs with much high values. • MPLS-DA (discriminant analysis) could classify waxy and non-waxy rice with 100% accuracy. • NIRS applicable for high-throughput screening. Rice starch properties of apparent amylose content (AAC), amylose content (AC), and amylopectin content (AP) are considered as the most important factors influencing grain quality as they are highly correlated with eating quality. This report is the first effort of predicting AC and AP values in rice flours, and recognizing waxy rice from non-waxy rice using NIRS technique. Calibration models generated by different mathematical, preprocessing treatments and combinations of wavelengths and signals were compared and optimized. The model established by modified partial least squares (MPLS) with "2, 8, 8, 2"/ Inverse MSC and ∼138 wavelengths signals yielded high RSQ of 0.977, 0.928, and 0.912 for AAC, AC and AP, respectively, as simultaneous measurement. MPLS-DA (discriminant analysis) could classify waxy and non-waxy rice with 100% accuracy. This high-throughput technology is valuable for breeding programs, and for the purposes of quality control in the food industry. [ABSTRACT FROM AUTHOR]

[Display omitted] • Scalable and controllable fabrication of Ni3S2-embedded NiFe LDH porous nanosheets grown on Ni foam in a facile method for OER catalysis. • The Ni3S2-embedded NiFe LDH porous nanosheet integrates merits including abundant interfaces, rapid mass transfer, bubble release and modulated electronic structure. • NiOOH resulting from the in situ partial Ni3S2 phase transformation over an equally important electrically conductive Ni3S2 to drive proficient catalysis. • This OER catalyst only requires an overpotential of 303 mV to deliver 1 A cm-2 toward OER. Ni 3 S 2 -embedded NiFe LDH heterostructured porous nanosheets were in situ grown on nickel foam (Ni 3 S 2 -NiFe LDHs /NF) via a one-pot solution method mediated by NaHS at room temperature in 15 min. Benefiting from the abundant Ni 3 S 2 -NiFe LDH interfaces, the as-prepared catalyst delivers 50, 500 and 1000 mA cm−2 with an overpotential of only 230, 285 and 303 mV for oxygen evolution reaction, respectively, registering as one of the best performing non-precious metal OER catalysts. In situ and ex situ analysis reveal that the Ni 3 S 2 was in situ partially transformed under an electrooxidation environment into NiOOH over an equally important electrically conductive Ni 3 S 2 to drive proficient catalysis. This strategy can be extended to fabricate Ru-Ni 3 S 2 -NiFe LDHs/NF electrocatalyst for high active hydrogen evolution reaction. Coupling these two catalysts achieved remarkable current densities of 10, 100 and 500 mA cm−2 at low voltages of 1.47, 1.71 and 1.85 V upon driving overall water splitting, respectively, superior to the performance of current industrial catalysts (200–400 mA cm−2 at 1.8–2.40 V). [ABSTRACT FROM AUTHOR]

There is a growing interest in the correlation between working time and environmental pressures, but prior empirical studies were mostly focused on static methods within limited country groups. To fill the gap, this study aims to stimulate the discussion by distinguishing between different time periods for developed and developing country groups respectively. In particular, we contribute to a further understanding of the environmental effects of working time reduction policies by comparing the differences under the dynamic framework of system Generalized Method of Moments. We applied this dynamic panel regression approach for 55 countries worldwide over the period 1980–2010, and employing carbon emissions per capita as the environmental indicator. In general, results confirmed the significant relationship between hours of work and environmental impacts in developed economies, although this is not the case for the developing counterparts. Interestingly, the significant correlations for the developed country group turned from positive during the first sub-period (1980–2000) to negative during the second sub-period (2001–2010). Connecting these results with previous literature, we proposed the reasons of rebound energy use derived from certain leisure activities which were more energy-intensive if excessive non-working time provided. [ABSTRACT FROM AUTHOR]

Halides are often present at electrochemical environment, they can directly influence the electrode potential or zero charge potential through the induced work-function change. In this work, we focused in particular on the halogen-induced work function change as a function of the coverage of fluorine, chlorine, bromine and iodine on Al 2 Au and Al 2 Pt (110) surfaces. Results show that the real relation between work function change and dipole moment change for halogens adsorption on intermetallic surfaces is just a common linear relationship rather than a directly proportion. Besides, the different slopes between fitted lines and the theoretical slope employed in pure metal surfaces demonstrating that the halogens adsorption on intermetallic surfaces are more complicated. We also present a weight parameter β to describe different factors effect on work function shift and finally qualify which factor dominates the shift direction. [ABSTRACT FROM AUTHOR]

Hafnium carbide (HfC) is regarded as one of the most promising cathode materials for field emission. But the experimental results did not provide a detail picture of the surface properties. In this work, we perform an ab initio study of the surface energies and work functions for the (1 0 0), (1 1 0), (1 1 1), (2 1 0), (3 1 0) and (3 1 1) surfaces of hafnium carbide. For the polar surface of (1 1 1) and (3 1 1) plane, a new method is taken to calculate the surface energy of the different surface terminations. The results indicate that the Hf termination surface is most stable, which are consistent with the experimental results. Additionally, we focused in particular on oxygen atom induced work function changes on HfC(1 1 1) plane as a function of coverage. An unexpected decrease of the work function is found at low coverage, and a reasonable resolution for this anomaly is given based on the method of Roman et al. [ABSTRACT FROM AUTHOR]

Summary α Helices are a basic unit of protein secondary structure and therefore the interaction between helices is crucial to understanding tertiary and higher-order folds. Comparing subtle variations in the structural and sequence motifs between membrane and soluble proteins sheds light on the different constraints faced by each environment and elucidates the complex puzzle of membrane protein folding. Here, we demonstrate that membrane and water-soluble helix pairs share a small number of similar folds with various interhelical distances. The composition of the residues that pack at the interface between corresponding motifs shows that hydrophobic residues tend to be more enriched in the water-soluble class of structures and small residues in the transmembrane class. The latter group facilitates packing via sidechain- and backbone-mediated hydrogen bonds within the low-dielectric membrane milieu. The helix-helix interactome space, with its associated sequence preferences and accompanying hydrogen-bonding patterns, should be useful for engineering, prediction, and design of protein structure. [ABSTRACT FROM AUTHOR]

The surface energies and work functions for six close-packed surfaces of 19 common fcc and bcc metals in the periodic table have been systematically calculated by means of the density functional theory (DFT) method. The accuracy of the results is established in comparison with the experimental and other theoretical values. The variations of work functions with the surface crystallographic orientation display a good regularity. For alkali metals, the work functions follow the sequence Φ (110) > Φ (133) > Φ (311) > Φ (120) > Φ (100) > Φ (111). But for the same crystal structure of bcc transition metals (Nb, Mo, Ta, W), the order is Φ (110) > Φ (133) > Φ (120) > Φ (111) > Φ (311) > Φ (100). The work functions for 3d, 4d and 5d transition fcc metals also display an obvious regularity and ordered as Φ (111) > Φ (100) > Φ (211) > Φ (123) > Φ (310) > Φ (110). Particular attention is paid to the surface energies anisotropy with the same crystal structure metals and the variations present a good regularity, too. Especially, a roughly inverse proportional relationship between the surface energy and work function is found. [ABSTRACT FROM AUTHOR]

A novel esterase gene (designated RmEstB ) from the thermophilic fungus Rhizomucor miehei was cloned and functionally expressed in Escherichia coli . Sequence analysis revealed a 960-bp open reading frame encoding a protein of 319 amino acids. The deduced protein sequence contained an HGGG motif, suggesting that the enzyme is a hormone-sensitive lipase (HSL) family esterase. It showed highest identity of 52% with the esterase from Pseudomonas mandelii . The recombinant esterase was purified to homogeneity at 5.1-fold purification with a recovery yield of 85%. The molecular mass of RmEstB was estimated to be 37 kDa by SDS-PAGE. RmEstB was most active at pH 7.5 and 50 °C. The enzyme was highly stable in the presence of 30% ethanol, methanol, acetone, isopropanol, dimethyl sulfoxide and acetonitrile. RmEstB showed a broad range of substrate specificities toward various p -nitrophenol ( p NP) esters (C 2 –C 10 ) and triglycerides (C 2 –C 6 ), with the highest specific activities obtained for p NP acetate (255 U/mg) and triacetin (1330 U/mg), respectively. In addition, RmEstB efficiently catalyzed the hydrolysis of sterically hindered esters of tertiary alcohols. This study presents a novel fungal HSL family esterase with potential for some industrial applications. [ABSTRACT FROM AUTHOR]

Abstract: Breast cancer is the leading cause of cancer death among women worldwide. Accumulating evidence indicates that the local recurrent and/or distant metastatic tumors, the major causes of lethality in the clinic, are related to the aggressive phenotype of a small fraction of cancer cells loosely termed as cancer stem cells (CSCs), tumor initiating cells (TICs), or cancer metastasis-initiating cells (CMICs). Breast cancer stem cells (BCSCs) are shown to exhibit unique growth abilities including self-renewal, differentiation potential, and resistance to most anti-cancer agents including chemo- and/or radiotherapy, all of which are believed to contribute to the development and overall aggressiveness of the recurrent or metastatic lesions. It is in the urgent need not only to further define the nature of heterogeneity in each tumor but also to characterize the precise mechanisms governing tumor–host cross-talk which is assumed to be initiated by BCSCs. In this review, we will focus on recently identified key factors, including the BCSCs among circulating tumor cells, interaction of BCSCs with the host, epithelial mesenchymal transition (EMT), tumor microenvironment, the intrinsic resistance due to HER2 expression, potential biomarkers of BCSCs and cancer cell immune signaling. We believe that new evidence coming from both bench and clinical research will help to develop more effective approaches to control or significantly reduce the aggressiveness of metastatic tumors. [Copyright &y& Elsevier]

Highlights: [•] The RMSECV of the PLS models for atractylenolides I and III was 0.0387 and 0.0358. [•] The determination coefficient of quantitative models was 96.63 and 96.16. [•] The established predictions model were accurate and reliable. [ABSTRACT FROM AUTHOR]

Highlights: [•] A novel thermostable feruloyl esterase was purified and characterized. [•] The enzyme was stable over a broad pH range and exhibited good thermostability. [•] The enzyme exhibited strict substrate specificity for methyl ferulate. [•] The feruloyl esterase gene was cloned and sequenced. [Copyright &y& Elsevier]

Highlights: [•] Surfactant molecular structure strongly affects rheological properties of systems. [•] Mixed system of gemini 12-3-12 and sodium dodecylsulfonate has low viscosity peaks. [•] Rodlike micelle-to-vesicle transition leads to low viscosity peaks of mixed system. [•] Salt effect depends on matching water affinities between counterions and head groups. [ABSTRACT FROM AUTHOR]

Abstract: A recombinant inbred line (RIL) population bred from a cross between a javanica type (cv. D50) and an indica type (cv. HB277) rice was used to map seven quantitative trait loci (QTLs) for thousand grain weight (TGW). The loci were distributed on chromosomes 2, 3, 5, 6, 8 and 10. The chromosome 3 QTL qTGW3.2 was stably expressed over two years, and contributed 9–10% of the phenotypic variance. A residual heterozygous line (RHL) was selected from the RIL population and its selfed progeny was used to fine map qTGW3.2. In this “F2” population, the QTL explained about 23% of the variance, rising to nearly 33% in the subsequent “F2:3” generation. The physical location of qTGW3.2 was confined to a ~556kb region flanked by the microsatellite loci RM16162 and RM16194. The region also contains other factors influencing certain yield-related traits, although it is also possible that qTGW3.2 affects these in a pleiotropic fashion. [Copyright &y& Elsevier]

Abstract: Trace constituents are widely present in complex mixtures, and trace analysis is challenging because of the unpredictable matrix. In this work, a high-component filtering strategy was developed for improved analysis of trace constituents in complex sample by liquid chromatography–mass spectrometry (LC–MS). Using a specifically designed chromatographic apparatus, the high-abundant fractions were filtered prior to LC–MS analysis. The samples complexity was reduced and the sample-loading amount for the rest low-level fractions can be considerably increased. The application of this approach was illustrated with an analytically challenging sample, a traditional Chinese herbal medicine named Compound Danshen Sample. We observed that the loss rate for 12 analytes during the filtering procedure ranged from 6.54 to 26.11%, but showed a stable repeatability with RSD<3.79%. The proposed filtering method with quadrupole time-of-flight mass spectrometritry (Q-TOF/MS) enhanced the detection capacity, offering a comprehensive characterization of 133 compounds in Compound Danshen Samples. The quantification sensitivity was also improved in trace analysis, allowing six low compounds that cannot be quantified by the traditional methods to be tested by the filtering method. It can be predicted that the qualitative and quantitative trace analysis will be greatly improved when the loading samples is increased resulting from the filtration of high-level targets. The proposed strategy is promising to monitor trace constituents in diverse complex mixtures in the analytical field of pharmaceutics, metabonomics and environments. [Copyright &y& Elsevier]

Abstract: SnO2-based composite coaxial nanocables with multi-walled carbon nanotube (MWCNT) and polypyrrole (PPy), SnO2@MWCNT@SnO2@PPy have been successfully synthesized via a simple one-pot chemical route. Such a novel nanostructure can not only provide a high conductivity, but also effectively suppress mechanical stress and prevent aggregation of SnO2 nanoparticles, leading to the improvement in the electrochemical utilization and cycling stability of SnO2 during Li-storage reaction. As anode materials, the as-obtained coaxial nanocables show a reversible capacity as high as 600mAh g−1 and a coulombic efficiency close to 100%, which is potential for practical application in lithium-ion batteries. [Copyright &y& Elsevier]

Abstract: An 8-week feeding trial was conducted to determine the effects of imbalanced levels of arginine and lysine in the diets of black sea bream, Acanthopagrus schlegelii, fingerlings. Eight isonitrogenous diets were formulated using a combination of intact protein and crystalline amino acids to contain different arginine/lysine levels: 2.83/3.25, 3.46/4.06, 2.27/4.09, 3.51/2.70, 2.31/2.74, 2.87/4.03, 2.91/4.68 and 2.85/5.24, % dry diet (analysis values), respectively. Each diet was fed to triplicate groups of 25 fish (mean weight, 10.0±0.1g) twice a day to apparent satiation. Fish fed diets with disproportionate levels of arginine and lysine showed significant (P <0.05) growth reduction compared to fish fed the control diet. The lower growth rates observed were due in part to lower feed intake, reduced nutrient availability (arginine and lysine), and increased catabolism of absorbed amino acids. Supplementing additional arginine to the diet was able to partially ameliorate the reduced growth, feed utilization and hepatic arginase activity observed in fish fed with excess dietary lysine, suggesting the possibility that there exists an antagonistic relationship between dietary lysine and arginine in black sea bream. Fish fed diets with excess lysine had lower whole-body protein content compared to fish fed the control diet. The significant increase in plasma ammonia levels as well as enzymes related to amino acid deamination and transamination reactions were found in the present study. To ensure optimal growth of black sea bream, the dietary levels of both arginine and lysine should be considered together when formulating feeds for this commercially farmed marine fish. [Copyright &y& Elsevier]

Abstract: The diversity and genetic relationship among 29 populations of Chrysanthemum morifolium, one of Chrysanthemum indicum and one of Chrysanthemum nankingense from China were analyzed using morphological traits and molecular markers. Twenty morphological traits were scored as well as 182 ISSR marker-fragments, as amplified by 22 primers [the percentage of polymorphic bands (PPB): 81.87%], and 243 SRAP marker-fragments as generated by 26 primer pairs (PPB: 75.72%). Mantel’s test indicated significant correlation (r = 0.624) of morphological trait and SRAP. By contrast, the morphological trait showed low correlation with ISSR (r = 0.246). Cluster analysis showed groupings of the accessions according to all four methods correlated well with their geographic region of origin, and most populations from the south of China were classified into one cluster and most populations from the north of China were classified into another cluster. Finally, an appropriate strategy for conserving the C. morifolium germplasm was proposed. [Copyright &y& Elsevier]

Abstract: The biosynthesis of the iridoid glucoside lamalbid in Lamium barbatum, a plant species in the Lamiaceae, was investigated by administrating 13C-labeled intermediates of MVA and MEP pathways, respectively. The results demonstrated that [3,4,5-13C3]1-deoxy-d-xylulose 5-phosphate could be incorporated into lamalbid, whereas the incorporation of [2-13C1]mevalonolactone was not observed. Based on the 13C labeling pattern of lamalbid and the incorporation data, we deduce that the iridoid glucoside in L. barbatum is biosynthesized through the MEP pathway, whereas the classic MVA pathway is not utilized. [Copyright &y& Elsevier]

Abstract: The expression of major histocompatibility complex (MHC) on human neural stem cells (hNSCs) is tightly related to the fate of these cells in transplantation, therefore strategies to relieve rejection and promote graft survival are necessary to be applied. This study investigated the effect of carbamylated erythropoietin (CEPO) on MHC expression and differentiation of hNSCs with or without IFN-γ incubation. Results showed that low levels of MHC molecules were expressed on hNSCs and increased by IFN-γ. CEPO enhanced MHC-I antigens in both proliferative and differentiated hNSCs, but decreased MHC-II antigens in differentiated hNSCs and those cells exposed to IFN-γ. Furthermore, CEPO promoted neural differentiation of hNSCs and outgrowth of neurites. Western blot analysis revealed activation of Stat3, Stat5 and Akt during these processes. These results suggest that CEPO may have immunoregulatory function in hNSCs besides its neuroprotection. [Copyright &y& Elsevier]

Abstract: In an asymmetrical interval data set, the error ranges of the upper and lower interval ends are different. This situation is common in practice because of the usual presence of uncertain influences. In prior “crisp input and interval output” regression analysis, a crude symmetrical estimation is obtained, and the asymmetrical character of training data cannot be depicted exactly. In this paper, an asymmetrical interval data analysis is proposed for the first time. The two interval ends are studied independently, and a set of regression models and -insensitive functions are proposed to strengthen the description of the interval ends. The support vector machine (SVM) is imported into this approach (for its model-free character in nonlinear regression) and further extended by -insensitive functions to the extended -SVM. A robust algorithm is presented to eliminate the effect of outliers. Experiments are then presented to verify the quality of performance of the extended -SVM. Advantages over other approaches are considered in the conclusion. [Copyright &y& Elsevier]

[Display omitted] • Cu 3 N@CoNiCHs heterostructures are fabricated as bifunctional electrocatalysts for HER and OER in alkaline electrolyte. • Cu 3 N@CoNiCHs integrate merits including abundant active sites, rapid charge transfer, and modulated electronic structure. • The dual-phase transformation of Cu 3 N@CoNiCHs during electrolysis provides active sites for HER and OER, respectively. • The Cu 3 N@CoNiCHs not only exhibit excellent HER and OER performance but also accelerate overall water splitting. The intensive pursuit of cost-effective electrocatalysts capable of enabling highly efficient and stable water splitting comprised of hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), is quite imperative but challenging. Herein, a 3-dimensional (3D) hierarchical architecture consisted of copper nitride (Cu 3 N) and Co-Ni carbonate hydroxides (CoNiCHs) on copper foam (CF) was synthesized, and the Cu 3 N@CoNiCHs@CF requires quite small overpotentials (η s) of 182 and 155 mV to afford current density (j 10) of 10 mA cm−2 for HER and OER, respectively. More importantly, it requires a comparably low potential of 1.58 V to deliver j 10 upon driving overall water splitting due to an optimal integration of the 3D hierarchical configuration and the desirable interface interplay of Cu 3 N and CoNiCHs, outperforming those of noble metals and most of the benchmarking bifunctional electrocatalysts. This study paves an attractive way to better unraveling the interface interplay over hierarchical architectures with very promising electrocatalytic activity. [ABSTRACT FROM AUTHOR]

Abstract: The cytotoxic activity against some tumor cell lines of 16 commonly used species of Asarum was evaluated in this study. All of these plants were widely used in Asian countries as traditional medicines or folk medicines. Their inhibitory activities against four tumor cell lines (HL-60, BGC-823, KB and Bel-7402) were compared. It was observed that 10 of the tested extracts (eight ethanol extracts and two water extracts) among 32 extracts of these plants showed cytotoxic activity. Those 95% ethanol extractions from A. caudigerellum, A. forbesii, A. inflatum and A. maximum exhibited the highest cytotoxic activity, and 95% ethanol extracts or water extracts of A. sieboldii var. seoulense, A. himalaicum, A. splendens and A. crispulatum showed selective activity against one or two cells among the tested tumor cells. This is the first report of Asarum plants possessing cytotoxic activity against tumor cell lines. [Copyright &y& Elsevier]

Abstract: The grand canonical Monte Carlo (GCMC) simulation study on the separation performance of zeolites (MFI, MOR, CFI and DON) and carbon nanotubes (CNTs) to ethanol–water mixtures is reported. The calculation is performed with different bulk percentage under the ambient temperature and pressure. The results show zeolites prefer water to ethanol and could be used for ethanol dehydration. Only water can enter CNT55, but for other CNTs, because the CNT is more hydrophobic than zeolite, the selectivity of CNTs to ethanol is larger than 1, and CNT77 is very fit to condense dilute ethanol solution. CNT77 show excellent performance for its special nanoscale. It prefers ethanol to water in all fraction range. [Copyright &y& Elsevier]

Abstract: Dry seeds of Nicotiana tabacum (L) cv. K346 were flown with a recoverable satellite, the Chinese “Shen Zhou III” for 162h. After spaceflight, a crinkly leaf and delay flowering mutant of tobacco (T-cldf), which phenotype differed from the ground control (K346), was obtained from the seedlings after 48d of the recoverable satellite-flown seeds germination. Major characteristics of T-cldf phenotype included crinkly leaf with outgrowth of the adaxial surface among the secondary veins and delay flowering. Amplified fragment length polymorphism (AFLP) analysis showed that five polymorphic bands were detected between T-cldf and ground control. The results suggested that recoverable satellite-flown condition could bring inheritable mutagenic effects on tobacco seeds and maybe used as a tool for accelerating the progress in tobacco breeding. [Copyright &y& Elsevier]

Abstract: In order to find out the relationship between driving torque and thickness of abrasive layer of a three-body abrasive wear system, a continuum model of abrasive layer was proposed. The model is based on the assumption of continuum of abrasive particles and a continuous contact pressure distribution was obtained. A sand crushing test was designed to get compressive behavior of the abrasive layer. The test was used to understand the loading–unloading–reloading behavior and the constitutive relationship between compressive displacement and compressive loading. The macro-contact pressure distribution of the abrasive wear between the cylinder–cylinder and cylinder–plane was obtained based on the sand compressive behavior. With the sand compressive behavior, an FEA model has been built for ring-on-ring abrasive wear test machine to simulate the normal contact pressure distribution and friction force. To verify the model, a set of experiments was conducted. Quartz sands were used as abrasives in the analysis and test. The measurement of torque accorded well with model prediction. With this model, only a simple sand crushing test is needed to obtain the relationship between driving torque and thickness of abrasive layer which is important for wear prediction of a three-body abrasive wear system. [Copyright &y& Elsevier]

Abstract: Ursolic acid and 2α-hydroxyursolic acid isolated from apple peels were found to show growth inhibitory activity against four tumor cell lines, HL-60, BGC, Bel-7402 and Hela. Structural modifications were performed on the C-3, C-28 and C-11 positions of ursolic acid and the cytotoxicity of the derivatives was evaluated. The SAR revealed that the triterpenes possessing two hydrogen-bond forming groups (an H-donor and a carbonyl group) at positions 3 and 28 exhibit cytotoxic activity. The configuration at C-3 was found to be important for the activity. Introduction of an amino group increased the cytotoxicity greatly. A 3β-amino derivative was 20 times more potent than the parent ursolic acid. The 28-aminoalkyl dimer compounds showed selective cytotoxicity. [Copyright &y& Elsevier]

A neutral nickel σ-acetylide complex [Ni(C&z.tbnd6;CPh)2(PBu3)2] (NBP) is used for possible atom transfer radical polymerization (ATRP) of methyl methacrylate (MMA) in conjunction with an organic halide as an initiator [R–X: CCl4, CH3Cl, BrCCl3, C2H5Br, and C5H9Br] in toluene at 80 °C. Among these initiating systems, BrCCl3/NBP gave the best controlled radical polymerization of MMA and produced polymer with relatively narrow molecular weight distribution (Mw/Mn&ap;1.3). The ATRP of MMA is preliminarily identified by the following facts: (1) the present MMA polymerization initiated by BrCCl3/NBP is completely hindered by the addition of TEMPO; (2) the conversion shows a typical linear variation with time in semilogarithmic coordinates; (3) the measured number-average molecular weights of polymer show a linear increase with conversion and agree closely with the theoretical values; (4) the resulting polymer chain contains a dormant carbon–halogen terminal. [Copyright &y& Elsevier]

Progesterone is known to be involved in many steps in female reproduction including control of implantation and uterine–cervical function during pregnancy. Our studies in rats and guinea pigs indicate that progesterone inhibits uterine contractility and cervical softening during pregnancy. Progesterone levels or actions decline near the end of pregnancy leading to the onset of labor. Treatment with progestin agonists prolongs pregnancy and inhibits cervical softening, whereas treatment with antiprogestins (mifepristone or onapristone) stimulates uterine contractility, cervical softening and premature delivery. Thus the effect of progesterone receptor modulators in the uterus and cervix depend up on the degree of intrinsic agonistic/antagonistic activities. Our recent studies show that progesterone interacts with nitric oxide (NO) to maintain pregnancy and that administration of progesterone antagonists with NO synthase inhibitors act synergistically to stimulate labor. In addition our studies show that combinations of progesterone antagonists with aromatase inhibitors act synergistically to induce labor. Similarly antiprogestins interact with NO synthase or aromatase inhibitors to block implantation through action on the endometrium. These studies suggest new applications for combined therapies of progestin receptor modulators with aromatase inhibitors or agents that modify NO production for contraception, stimulation of labor, estrogen-dependent diseases and improved outcomes in pregnancy. [Copyright &y& Elsevier]

Nuclear hormone receptors are ligand-dependent transcription factors that require coactivators to regulate target gene expression. The steroid receptor coactivator-3 (SRC-3), also known as p/CIP, RAC3, AIB1, ACTR and TRAM-1, is a cancer-amplified coactivator in the SRC gene family that also contains SRC-1 and TIF2/GRIP1. SRC-3 interacts with nuclear receptors and certain other transcription factors, recruits histone acetyltransferases and methyltransferases for chromatin remodeling and facilitates target gene transcription. Accumulated results from both ex vivo and animal model studies indicate that SRC-3 plays important roles in many biological processes involving cell proliferation, cell migration, cell differentiation, somatic growth, sexual maturation, female reproductive function, vasoprotection and breast cancer. This article summarizes our current knowledge about SRC-3 under the following topics: molecular cloning and characterization; molecular structure and functional mechanisms; SRC-3 as a molecular target of growth factors and cytokines; organization and expression of the SRC-3 gene; generation and characterization of SRC-3 knockout mice; role of SRC-3 in the vasoprotective effects of estrogen; role of SRC-3 in cell migration, proliferation and cancers. [Copyright &y& Elsevier]

This work investigates the effect of zwitterionic molecules on ionic association in ethylene oxide (EO)-based electrolytes using molecular dynamics simulations. Zwitterionic molecules can associate with cations and anions because they possess both positively and negatively charged groups. This unique feature can be leveraged to develop electrolytes with high ionic conductivity if we understand how zwitterionic molecules influence ionic associations. We investigate the ionic associations in the electrolytes composed of oligo(ethylene oxide) (EO) (EO x , x = 2, 3, 4, and 5), LiTFSI and zwitterionic molecules containing cationic imidazole group and anionic sulfonate group using molecular dynamics simulations. The analyzed properties include the radial distribution functions between Li+, [TFSI]-, EO x and zwitterionic molecules, the structures and dynamics of Li+-[TFSI]-, Li+- EO x and Li+-zwitterion associations, and the diffusion coefficients of Li+, [TFSI]-, EO x and zwitterionic molecules. The simulation results show two distinct effects of zwitterionic molecules on ionic associations in the electrolytes. First, they could release Li+ from the trapping effect of EO x chains and accelerate Li+ transport. Second, they can associate with Li+ themselves and slow down the Li+ transport. The competition between these two effects relates to the length of the EO x chains. Our simulations suggest that zwitterionic molecules could help manipulate the ionic conductivity of polyethylene oxide electrolytes. Image 1 [ABSTRACT FROM AUTHOR]

For two-dimensional (2D) materials, a pure large out-of-plane piezoelectric response, compatible with the nowadays bottom/top gate technologies, is highly desired. In this work, the piezoelectric properties of penta-graphene (CCC) monolayer are studied with pure out-of-plane piezoelectric effect by density functional theory (DFT). However, the d 36 is very small, and only -0.065 pm/V. Two strategies are proposed to enhance piezoelectric properties of CCC monolayer. Firstly, both biaxial and uniaxial strains are applied, but the enhancement is very small, and at -2% biaxial (-4% uniaxial) strain, the d 36 is increased only by 3.1% (13.9%). Secondly, a Janus penta-monolayer (CCB) is constructed by replacing the top C (B) atomic layer in monolayer CCC [pentagonal CB 2 monolayer (CBB)] with B (C) atoms, which shows dynamic and mechanical stability. Fortunately, the pure out-of-plane piezoelectric effect of CCB monolayer still holds, and exhibits a band gap. The calculated d 31 and d 32 are -0.505 pm/V and 0.273 pm/V, respectively, which are very larger than d 36 of CCC monolayer. The out-of-plane piezoelectricity d 31 of CCB monolayer is obviously higher compared with many other 2D known materials. Moreover, its room-temperature electronic mobility along y direction is as high as 8865.23 cm 2 V − 1 s − 1 . Our works provide a new way to achieve pure out-of-plane piezoelectric effect, which is highly desirable for ultrathin piezoelectric devices. • Pure out-of-plane piezoelectric effect is found in penta-graphene. • A Janus penta-monolayer is constructed to improve piezoelectric properties of penta-graphene. • Proposed penta-monolayer with high and pure out-of-plane piezoelectric effect. [ABSTRACT FROM AUTHOR]