Search

Abstract Data scarcity is one of the critical bottlenecks to utilizing machine learning in material discovery. Transfer learning can use existing big data to assist property prediction on small data sets, but the premise is that there must be a strong correlation between large and small data sets. To extend its applicability in scenarios with different properties and materials, here we develop a hybrid framework combining adversarial transfer learning and expert knowledge, which enables the direct prediction of carrier mobility of two-dimensional (2D) materials using the knowledge learned from bulk effective mass. Specifically, adversarial training ensures that only common knowledge between bulk and 2D materials is extracted while expert knowledge is incorporated to further improve the prediction accuracy and generalizability. Successfully, 2D carrier mobilities are predicted with the accuracy over 90% from only crystal structure, and 21 2D semiconductors with carrier mobilities far exceeding silicon and suitable bandgap are successfully screened out. This work enables transfer learning in simultaneous cross-property and cross-material scenarios, providing an effective tool to predict intricate material properties with limited data.

Neuromodulation is being utilized across a variety of medical subspecialties to treat both painful and non-painful medical conditions. However, publications on neuromodulation topics infrequently occur in journals targeting generalists and medical specialties outside of pain medicine and neurosurgery. This study reviewed implantable neuromodulation devices, their respective Food and Drug Administration-approved indications for use, as well as off-label usage, and the associated potential risks and benefits for each device. PubMed and Medline databases were queried for systematic reviews with or without meta-analyses and randomized controlled trials of implantable neuromodulation devices. The literature review resulted in 106 studies eligible for inclusion, and 67 were included in the final review. In conclusion, as the clinical volume of neuromodulation continues to grow, supporting and educating medical professionals who care for patients that receive implanted neuromodulation devices is paramount. It is likely the use of neuromodulation will continue to expand across all medical subspecialties, and as such, every clinician should have a baseline understanding of this treatment.

Abstract The past decade has witnessed the significant efforts in novel material discovery in the use of data-driven techniques, in particular, machine learning (ML). However, since it needs to consider the precursors, experimental conditions, and availability of reactants, material synthesis is generally much more complex than property and structure prediction, and very few computational predictions are experimentally realized. To solve these challenges, a universal framework that integrates high-throughput experiments, a priori knowledge of chemistry, and ML techniques such as subgroup discovery and support vector machine is proposed to guide the experimental synthesis of materials, which is capable of disclosing structure-property relationship hidden in high-throughput experiments and rapidly screening out materials with high synthesis feasibility from vast chemical space. Through application of our approach to challenging and consequential synthesis problem of 2D silver/bismuth organic-inorganic hybrid perovskites, we have increased the success rate of the synthesis feasibility by a factor of four relative to traditional approaches. This study provides a practical route for solving multidimensional chemical acceleration problems with small dataset from typical laboratory with limited experimental resources available.

Diet selection, a core problem of foraging behavior, is a nutritional adaptation strategy formed in the long-term natural selection process by grazing herbivores and is significant for the sustainable management of grassland. Studies have mainly focused on the impacts of the individual and whole community spatial characteristics and herbivore body status on herbivore foraging behavior; thus, the response and mechanism of forage plants in different terrains to the diet selection of grazing herbivores remains unclear. Therefore, in this study, forage plants (gramineae, cyperaceae, legume, forbs, edible shrubs, and community) in different topographies (terrace, riparian zones, shady slope, half shady slope, half sunny slope, sunny slope) on the eastern Tibetan plateau were selected to study changes in nutrient and mineral content characteristics of forage plants, as well as the difference in feeding bias of yaks for forage plants in different terrains by using an indoor cafeteria trial. A structural equation model was used to illustrate the impact of the forage plants in different terrains on the feeding bias of yak. The multi-criterion decision model TOPSIS showed that the nutritional value of gramineae was highest for the shaded slope, and that of cyperaceae and leguminosae was the highest for the terraces. The nutrient value of forbs and the whole community was highest for the sunny slope. Dry matter intake by yaks of leguminosae, forbs, and the whole plant community was significantly higher for terraces than for grasslands with other topographies, and all were significantly lower in riparian zones. Yak forage preference of leguminosae, forbs, and the whole community was the highest for the terrace and the lowest for the riparian zones. Structural equation modeling showed that for functional groups, the interactions between topography and functional groups were the drivers influencing yak forage preferences. Our study highlights the propensity of yaks to forage for plants in areas with different topographies. These results have provided a scientific basis for understanding the relationship between herbivores and plants in grasslands and for formulating scientific grazing management strategies, which are of considerable importance for sustainable grassland livestock husbandry.

Grassland degradation is a prevalent issue at the interface of shrubland and grassland ecosystems, particularly susceptible to environmental changes. To counteract the degradation, grazing exclusion has been proposed as a dominant restoration strategy on the Tibetan plateau, the world's largest and highest plateau. However, the impact of degradation and subsequent restoration on the carbon dynamics consist of carbon sink / source capacity of shrub-grassland ecotones remain unclear. Therefore, in this study, using a transparent chamber (0.8 m in length × 0.8 m in width × 0.6 m in height) attached to an infrared gas analyzer, the in situ field investigation was performed to measure the gross ecosystem primary productivity (GEP), ecosystem respiration (Re), net ecosystem CO2 exchange (NEE), and environmental factors over a four-year continuous period in lightly and heavily degraded shrub-grassland ecotones during recover process on the Tibetan Plateau. Our result showed that: 1). Shrub-grassland ecotone acts as a net CO2 sink, with the maximum NEE occurring in July during the growing season. 2). Ecotone degradation diminishes the carbon sequestration capacity. Specifically, the annual GEP, Re, and NEE rates decrease by 14.1 %, 7.3 %, and 27.2 %, respectively, in the heavily degraded ecotone compared to the lightly degraded counterpart. 3). Grazing exclusion positively influenced the carbon sequestration capacity, particularly in heavily degraded ecotone, which leads to a substantial increase in the annual GEP, Re, and NEE rates of 15.4 % and 33.4 %, 12.3 % and 20.9 %, 22.25 % and 64.9 % for lightly and heavily degraded ecotones, respectively. 4). A piecewise structural equation model reveals that soil moisture and soil temperature are pivotal drivers influencing NEE. 5) Correlation analysis shows that NEE was negatively correlated with soil temperature during April to June and September to October but was positively correlated with soil temperature during July to August. In contrast, NEE displays a consistent negative correlation with soil moisture throughout the growing season. This research provides new insights on grassland degradation and restoration for carbon sequestration in alpine shrub-grassland ecotones and highlights their implications for sustainable management of alpine ecosystems.

In view of class imbalance in data-driven modeling for Prognostics and Health Management (PHM), existing classification methods may fail in generating effective fault prediction models for the on-board high-speed train control equipment. A virtual sample generation solution based on Generative Adversarial Network (GAN) is proposed to overcome this shortcoming. Aiming at augmenting the sample classes with the imbalanced data problem, the GAN-based virtual sample generation strategy is embedded into the establishment of fault prediction models. Under the PHM framework of the on-board train control system, the virtual sample generation principle and the detailed procedures are presented. With the enhanced class-balancing mechanism and the designed sample augmentation logic, the PHM scheme of the on-board train control equipment has powerful data condition adaptability and can effectively predict the fault probability and life cycle status. Practical data from a specific type of on-board train control system is employed for the validation of the presented solution. The comparative results indicate that GAN-based sample augmentation is capable of achieving a desirable sample balancing level and enhancing the performance of correspondingly derived fault prediction models for the Condition-based Maintenance (CBM) operations.

From June 14 to the early morning of June 15， 2005， affected by the northeast cold vortex， a hail weather process rarely seen in history occurred in Shandong， northwest Jiangsu and northeast Anhui.The maximum hail diameter was 15~18 cm.Based on the new generation doppler weather radar data of 08:00 （Beijing time） from June 14 to 15， 2005， this paper compares and analyzes the radar echo characteristics of extreme hail in Shuyang， Jiangsu， Siyang and Guzhen， Anhui.Results showed that： （1） The extreme hail process in the three regions is caused by different supercells， due to the strong environmental CAPE， deep vertical wind shear and low-level relative storm helicity， the three supercells formed successively and all had strong and mosocyclones.The interaction between strong and mosocyclones and the environment leads to an upward disturbance of the pressure gradient force， which greatly increases the updraft intensity of the supercell and strong development itself.（2）The radar echo shows that the supercell causing extreme hail in the three places has high echo starting height and strong echo intensity.The maximum reflectivity factor is more than 70 dBZ， and the strong echo lasted more than 3 hours.The maximum height of 60 dBZ is higher than 11 km.In comparison， Shuyang supercell has the longest duration； Siyang supercell has the largest echo intensity； The Guzhen supercell hailstorm has the highest vertical expansion height of reflectivity factor above 60 dBZ.Preliminary clues are obtained from the above three supercell hailstorm examples： when the maximum reflectivity factor exceeds 68 dBZ and the echo expansion height of 60 dBZ is above 10 km， it indicates that extreme hail appears.（3）The bounded weak echo area （BWER） or weak echo area （WER） and the overhangs of echoes above it are the typical hailstorm structure of a supercell storm.The Siyang hailstorm showed WER and broad echo overhang， while the Shuyang and Guzhen hailstorms showed BWER and broad echo overhang.The continuous increase of mesocyclone shear value in Guzhen hailstorm is accompanied by the strong development of hailstorm.（4）The vertical integration of liquid water content （VIL） based on cells is abnormally high， reaching 88 kg·m-2， 102 kg·m-2 and 89 kg·m-2 respectively， far exceeding the VIL threshold of 65 kg·m-2 corresponding to large hail in June.The Guzhen hailstorm showed a strong storm top divergence， and the divergence velocity difference was as high as 80 m·s-1（5） There are three-body scattering spike （TBSS） in guzhen hailstorm for nearly 1 hour， and there are obvious side-lobe echo characteristics in Shuyang and Guzhen hailstorms， all indicated the existence of large hails.

An extraction process of terpenoids from stigma maydis was discussed in this paper. Firstly, a UPLC analytical method was established based on the three standard substances tigmene F(1), 3β-hydroxy- ent-kaur-15-en-17-oic acid-18-ester(2), and 4α-hydroxy-19-nor-ent-kaur-15-en-17-oic acid (3) from stigma maydis. The chromatography condition was determined as C18 100Ȧ column (4.6 mm×150 mm, 2.6 µm) eluted with MeOH (A)-0.1% phosphoric acid (B) in gradient with the 1.0 mL/min flow rate. The column temperature was 40 ℃ with a 10 μL injection volume. The detection wavelength was set at 220 nm. Results showed that, three terpenoids had good linearity (r>0.9993) in the concentration range of 0.96~192.0 μg/mL (stigmene F) and 5.0~200.0 μg/mL (3β-hydroxy-ent-kaur-15-en-17-oic acid-18-ester and 4α-hydroxy-19-nor-ent-kaur-15-en-17-oic acid), respectively. They showed the same limits of quantitation (LOQ, S/N=10) ranged from 5.0 μg/g to 10.0 μg/g, similar average recovery rate of 89.1%~105.8%, and with could be used for quantitative analysis and provided research reference for terpenoids in stigma maydis. Finally, guided by the optimized analytical method, the extraction process for the three terpenoids from stigma maydis was determined as follows: The extract solvent was 20% MeOH-H2O, which was 25 times weight of stigma maydis, and with refluxed extraction for 1 h.

Abstract Electrochemical reactions represent essential processes in fundamental chemistry that foster a wide range of applications. Although most electrochemical reactions in bulk substances can be well described by the classical Marcus-Gerischer charge transfer theory, the realistic reaction character and mechanism in dimensionally confined systems remain unknown. Here, we report the multiparametric survey on the kinetics of lateral photooxidation in structurally identical WS2 and MoS2 monolayers, where electrochemical oxidation occurs at the atomically thin monolayer edges. The oxidation rate is correlated quantitatively with various crystallographic and environmental parameters, including the density of reactive sites, humidity, temperature, and illumination fluence. In particular, we observe distinctive reaction barriers of 1.4 and 0.9 eV for the two structurally identical semiconductors and uncover an unusual non-Marcusian charge transfer mechanism in these dimensionally confined monolayers due to the limit in reactant supplies. A scenario of band bending is proposed to explain the discrepancy in reaction barriers. These results add important knowledge into the fundamental electrochemical reaction theory in low-dimensional systems.

Abstract The recent progress in CuMnAs and Mn3X (X = Sn, Ge, Pt) shows that antiferromagnets (AFMs) provide a promising platform for advanced spintronics device innovations. Most recently, a switchable Fermi‐arc is discovered by the ARPES technique in antiferromagnet NdBi, but the knowledge about electron‐transport property and the manipulability of the magnetic structure in NdBi is still vacant to date. In this study, SdH oscillations are successfully verified from the Dirac surface states (SSs) with 2‐dimensionality and nonzero Berry phase. Particularly, it is observed that the spin‐flop transition only appears when the external magnetical field is applied along [001] direction, and features obvious hysteresis for the first time in NdBi, which provides a powerful handle for adjusting the spin texture in NdBi. Crucially, the DFT shows the Dirac cone and the Fermi arc strongly depend on the high‐order magnetic structure of NdBi and further reveals the orbital magnetic moment of Nd plays a crucial role in fostering the peculiar SSs, leading to unveil the mystery of the band‐splitting effect and to manipulate the electronic transport, high‐effectively, in the thin film works in NdBi. It is believed that this study provides important guidance for the development of new antiferromagnet‐based spintronics devices based on cutting‐edge rare‐earth monopnictides.

Rotavirus (RV) is the main pathogen that causes severe diarrhea in infants and children under 5 years of age. No specific antiviral therapies or licensed anti-rotavirus drugs are available. It is crucial to develop effective and low-toxicity anti-rotavirus small-molecule drugs that act on novel host targets. In this study, a new anti-rotavirus compound was selected by ELISA, and cell activity was detected from 453 small-molecule compounds. The anti-RV effects and underlying mechanisms of the screened compounds were explored. In vitro experimental results showed that the small-molecule compound ML241 has a good effect on inhibiting rotavirus proliferation and has low cytotoxicity during the virus adsorption, cell entry, and replication stages. In addition to its in vitro effects, ML241 also exerted anti-RV effects in a suckling mouse model. Transcriptome sequencing was performed after adding ML241 to cells infected with RV. The results showed that ML241 inhibited the phosphorylation of ERK1/2 in the MAPK signaling pathway, thereby inhibiting IκBα, activating the NF-κB signaling pathway, and playing an anti-RV role. These results provide an experimental basis for specific anti-RV small-molecule compounds or compound combinations, which is beneficial for the development of anti-RV drugs.

A photocatalyst for CO2 reduction to C3H8 is prepared by implanting Cu single atoms on vacancy rich TiO2 single layers. Key reaction intermediates, *CHOCO and *CH2OCOCO, are stabilized on the catalyst which promotes C-C bond formation.

Abstract Polydimethylsiloxane (PDMS) has been widely used in flexible electronics, soft robotics, and bioelectronics. However, the fabrication of PDMS‐based devices has mostly relied on conventional approaches, such as casting and molding, thereby limiting their potential. Here we fabricate PDMS‐based composites with programmable microstructures by direct ink writing and realize their practical functionalities of four‐dimensional (4D) printing. The mechanical, thermomechanical and magnetic properties of the three‐dimensional‐printed composites can be well tailored by using carbon, metal, or ceramic functional fillers. By taking advantage of the printable, flexible, and magnetic PDMS composites, we demonstrate new practical functionalities of 4D printing by designing programmable architectures, including magnetic‐field‐driven battery cases and patchworks, as well as arbitrary morphing ceramic structures. In particular, 4D‐printed batteries are constructed by PDMS‐based battery cases for the first time, which can be actuated via external magnetic field. This study broadens the paradigm of 4D printing for prospective applications, such as implant batteries, biomimetic engineering, and customized biomedical devices.

Rotaviruses (RVs) are a major cause of diarrhea in young children worldwide. The currently available and licensed vaccines contain live attenuated RVs. Optimization of live attenuated RV vaccines or developing non-replicating RV (e.g., mRNA) vaccines is crucial for reducing the morbidity and mortality from RV infections. Herein, a nucleoside-modified mRNA vaccine encapsulated in lipid nanoparticles (LNP) and encoding the VP7 protein from the G1 type of RV was developed. The 5′ untranslated region of an isolated human RV was utilized for the mRNA vaccine. After undergoing quality inspection, the VP7-mRNA vaccine was injected by subcutaneous or intramuscular routes into mice. Mice received three injections in 21 d intervals. IgG antibodies, neutralizing antibodies, cellular immunity, and gene expression from peripheral blood mononuclear cells were evaluated. Significant differences in levels of IgG antibodies were not observed in groups with adjuvant but were observed in groups without adjuvant. The vaccine without adjuvant induced the highest antibody titers after intramuscular injection. The vaccine elicited a potent antiviral immune response characterized by antiviral clusters of differentiation CD8+ T cells. VP7-mRNA induced interferon-γ secretion to mediate cellular immune responses. Chemokine-mediated signaling pathways and immune response were activated by VP7-mRNA vaccine injection. The mRNA LNP vaccine will require testing for protective efficacy, and it is an option for preventing rotavirus infection.

A double-strip array-based metasurface that supports the sharp quasi-bound states in the continuum (quasi-BICs) is demonstrated in terahertz regions. By tuning the structural parameters of metal strips, the conversion of BICs and quasi-BICs is controllable. The simulated results exhibit an achieved maximum Q-factor for quasi-BICs that exceeds 500, corresponding to a bandwidth that is less than 1 GHz. The optical response of quasi-BICs is mainly affected by the properties of substrates. Resonant frequencies decrease linearly with increasing refractive index. The bandwidth of quasi-BICs decreases to 0.9 GHz when n is 2.2. The sharp quasi-BICs are also sensitive to changes in material absorption. Low-loss materials show higher Q-factors. Thus, the selection of a suitable substrate material will be beneficial in achieving resonance with a high Q value. The sensitivity of DSAs for molecules is assessed using a thin membrane layer. The DSAs show high sensitivity, which achieves a frequency shift of 70 GHz when the thickness of the membrane is 10 μm, corresponding to a sensitivity of 87.5 GHz/RIU. This metasurface with sharp quasi-BICs is expected to perform well in THz sensing.

Here, the authors exploit a non-invasive layer-bylayer etching technique to fabricate electronic devices based on 2D transition metal dichalcogenides with controlled thickness and transport properties comparable to those of exfoliated flakes.

Abstract The current feasibility of nanocatalysts in clinical anti-infection therapy, especially for drug-resistant bacteria infection is extremely restrained because of the insufficient reactive oxygen generation. Herein, a novel Ag/Bi2MoO6 (Ag/BMO) nanozyme optimized by charge separation engineering with photoactivated sustainable peroxidase-mimicking activities and NIR-II photodynamic performance was synthesized by solvothermal reaction and photoreduction. The Ag/BMO nanozyme held satisfactory bactericidal performance against methicillin-resistant Staphylococcus aureus (MRSA) (~99.9%). The excellent antibacterial performance of Ag/BMO NPs was ascribed to the corporation of peroxidase-like activity, NIR-II photodynamic behavior, and acidity-enhanced release of Ag+. As revealed by theoretical calculations, the introduction of Ag to BMO made it easier to separate photo-triggered electron-hole pairs for ROS production. And the conduction and valence band potentials of Ag/BMO NPs were favorable for the reduction of O2 to ·O2 −. Under 1064 nm laser irradiation, the electron transfer to BMO was beneficial to the reversible change of Mo5+/Mo6+, further improving the peroxidase-like catalytic activity and NIR-II photodynamic performance based on the Russell mechanism. In vivo, the Ag/BMO NPs exhibited promising therapeutic effects towards MRSA-infected wounds. This study enriches the nanozyme research and proves that nanozymes can be rationally optimized by charge separation engineering strategy.

Rotavirus is one of the main pathogens causing severe diarrhea in infants and young children < 5 years of age. The development of the next-generation rotavirus vaccine is of great significance for preventing rotavirus infection and reducing severe mortality. The current study aimed to develop and evaluate the immunogenicity of inactivated rotavirus vaccine (IRV) in rhesus monkeys. Monkeys received two or three IRV injections intramuscularly at a 4-week interval. Neutralizing antibodies, cellular immunity, PBMC gene expression profiling, and immune persistence were evaluated. Three-dose immunization of IRV induced a higher level of neutralizing, IgG and IgA antibodies compared to two-dose immunization. IRV induced IFN-γ secretion to mediate cellular immune responses, including robust pro-inflammatory and antiviral responses. Chemokine-mediated signaling pathways and immune response were broadly activated by IRV injection. The IRV-induced neutralizing antibodies resulting from two doses returned to baseline levels 20 weeks after full immunization, while those resulting from three doses returned to baseline levels 44 weeks after full immunization. Increasing immunization dose and injection number will help to improve IRV immunogenicity and neutralizing antibody persistence.

Abstract Cu nanoparticles with different sizes, morphology, and surface structures exhibit distinct activity and selectivity toward CO2 reduction reaction, while the reactive sites and reaction mechanisms are very controversial in experiments. In this study, we demonstrate the dynamic structure change of Cu clusters on graphite‐like carbon supports plays an important role in the multicarbon production by combining static calculations and ab‐initio molecular dynamic simulations. The mobility of Cu clusters on graphite is attributed to the near‐degenerate energies of various adsorption configurations, as the interaction between Cu atoms and surface C atoms is weaker than that of CuCu bonds in the tight cluster form. Such structure change of Cu clusters leads to step‐like irregular surface structures and appropriate interparticle distances, increasing the selectivity of multicarbon products by reducing the energy barriers of CC coupling effectively. In contrast, the large ratio of edge and corner sites on Cu clusters is responsible for the increased catalytic activity and selectivity for CO and H2 compared with Cu(100) surface, instead of hydrocarbon products like methane and ethylene. The detailed study reveals that the dynamic structure change of the catalysts results in roughened surface morphologies during catalytic reactions and plays an essential role in the selectivity of CO2 electro‐reduction, which should be paid more attention for studies on the reaction mechanisms.

Soil microorganisms found in shrub-meadow ecosystems are highly heterogeneous and extremely sensitive to grazing, but changes in microbial compositional and functional heterogeneity during grazing exclusion (GE) have been largely overlooked compared to community diversity. We collected soil samples from heavily grazed plots (6.0 sheep/ha) and GE plots (matrix and patch areas in both), and used a combination of next-generation sequencing, vegetation features, and the associated soil property data to investigate the effect of GE on the composition and function of microbial communities (bacteria fungi, and archaea) in 0–10 cm soils. Regarding community composition, the proportions of species in bacteria, fungi, and archaea were 97.3, 2.3, and 0.4%, respectively. GE significantly affected the species diversity of fungi and archaea but not that of bacteria. GE decreased the heterogeneity of bacteria (2.9% in matrix and 6.2% in patch) and archaea (31.1% in matrix and 19.7% in patch) but increased that of fungi by 1.4% in patch. Regarding community function, enzyme diversity and heterogeneity were increased by 10.4 and 9.4%, respectively, in patch after 6 years of fencing, exemplifying a high level of microbial functional redundancy. The Kyoto Encyclopedia of Genes and Genome pathways—cell growth and death, translation, digestive system, and nucleotide metabolism—were functional biomarkers (linear discriminant analysis effect size method) in matrix-non-grazed plots, whereas lipid metabolism, xenobiotics biodegradation and metabolism, and metabolism of terpenoids and polyketides, cell motility, cancer: overview, endocrine system, and membrane transport were biomarkers in patch-non-grazed plots. Additionally, GE improved the capacity for fatty acid metabolism but decreased the abundance of methane-producing archaea by 42.9%. Redundancy analysis revealed that the factors that affected microbial composition the most were soil aggregates, soil moisture, and the number of plant species, whereas those that affected microbial function the most were soil available phosphorus, soil temperature, and shrub canopy diameter. Our results quantified soil microbial heterogeneity, emphasizing the different responses of the composition and function of bacteria, fungi, and archaea to GE in alpine shrubs and meadows.

CO2 conversion driven by light is a promising strategy to synchronously overcome global warming and energy-supply issues. Here the authors show that the sulfur defect engineering on a quaternary AgInP2S6 atomic layer can excitingly change the CO2 photoreduction reaction pathway to the generation of ethene.

The oral cavity is an important window for microbial communication between the environment and the human body. The oral microbiome plays an important role in human health. However, compared to the gut microbiome, the oral microbiome has been poorly explored. Here, we analyzed 404 datasets from human oral saliva samples published by the Earth Microbiome Project (EMP) and compared them with 815 samples from the human gut, nose/pharynx, and skin. The diversity of the human saliva microbiome varied significantly among individuals, and the community compositions were complex and diverse. The saliva microbiome showed the lowest species diversity among the four environment types. Human oral habitats shared a small core bacterial community containing only 14 operational taxonomic units (OTUs) under 5 phyla, which occupied over 75% of the sequence abundance. For the four habitats, the core taxa of the saliva microbiome had the greatest impact on saliva habitats than other habitats and were mostly unique. In addition, the saliva microbiome showed significant differences in the populations of different regions, which may be determined by the living environment and lifestyle/dietary habits. Finally, the correlation analysis showed high similarity between the saliva microbiome and the microbiomes of Aerosol (non-saline) and Surface (non-saline), i.e., two environment types closely related to human, suggesting that contact and shared environment being the driving factors of microbial transmission. Together, these findings expand our understanding of human oral diversity and biogeography.

Abstract Background Sequencing prokaryotic genomes has revolutionized our understanding of the many roles played by microorganisms. However, the cell and taxon proportions of genome-sequenced bacteria or archaea on earth remain unknown. This study aimed to explore this basic question using large-scale alignment between the sequences released by the Earth Microbiome Project and 155,810 prokaryotic genomes from public databases. Results Our results showed that the median proportions of the genome-sequenced cells and taxa (at 100% identities in the 16S-V4 region) in different biomes reached 38.1% (16.4–86.3%) and 18.8% (9.1–52.6%), respectively. The sequenced proportions of the prokaryotic genomes in biomes were significantly negatively correlated with the alpha diversity indices, and the proportions sequenced in host-associated biomes were significantly higher than those in free-living biomes. Due to a set of cosmopolitan OTUs that are found in multiple samples and preferentially sequenced, only 2.1% of the global prokaryotic taxa are represented by sequenced genomes. Most of the biomes were occupied by a few predominant taxa with a high relative abundance and much higher genome-sequenced proportions than numerous rare taxa. Conclusions These results reveal the current situation of prokaryotic genome sequencing for earth biomes, provide a more reasonable and efficient exploration of prokaryotic genomes, and promote our understanding of microbial ecological functions. Video Abstract

The crystal phase-based heterostructures of noble metal nanomaterials are of interest for various applications. Here, the authors report the wet-chemical synthesis of gold nanorods with a well-defined fcc-2H-fcc heterophase, which possess unique optical and catalytic properties.

Abstract The existence of intrinsic ferromagnetic semiconductors (FMSs) in two‐dimensional (2D) materials has been a long‐term concern and pursuit. Recent breakthroughs in the 2D FMSs, such as CrGeTe3 and CrX3 (X = Cl, Br, I) from bulk down to monolayer, have stimulated intensive researches on new physical phenomena and creative concepts. This minireview mainly summarizes recent progress of 2D intrinsic FMSs in theoretical side, and focuses on the ongoing strategies proposed to enhance ferromagnetism, involving the mechanisms of magnetic exchange interaction and the significance of magnetic anisotropy. Meanwhile, spin‐related multifunctionality with ultrathin FMSs and their van de Waals heterostructures in magnetoelectric, valleytronic, and nondissipative electronic technology are introduced, as well as the current challenges and the prospects in this field are discussed.

Abstract Background Rice ratooning has traditionally been an important component of the rice cropping system in China. However, compared with the rice of the first harvest, few studies on factors effecting ratoon rice yield have been conducted. Because ratoon rice is a one-season rice cultivated using axillary buds that germinate on rice stakes and generate panicles after the first crop’s harvest, its production is mainly affected by the growth of axillary buds. The objectives of this study were to evaluate the sprouting mechanism of axillary buds to improve the ratoon rice yield. Results First, we observed the differentiation and growth dynamics of axillary buds at different nodes of Shanyou 63, and found that they differentiated from bottom to top before the heading of the mother stem, and that they developed very slowly. After heading they differentiated from top to bottom, and the ones on the top, especially the top 2nd node, developed much faster than those at the other nodes. The average length and dry weight of the axillary buds were significantly greater than those at other nodes by the yellow ripe stage, and they differentiated into pistils and stamens by 6 d after the yellow ripe stage. The morphology of vegetative organs from regenerated tillers of Shanyou 63 also suggested the superior growth of the upper buds, which was regulated by hormones, in ratoon rice. Furthermore, a comprehensive proteome map of the rice axillary buds at the top 2nd node before and after the yellow ripe stage was established, and some proteins involved in steroid biosynthesis were significantly increased. Of these, four took part in brassinosteroid (BR) biosynthesis. Thus, BR signaling may play a role in the germination of axillary buds of ratoon rice. Conclusions The data provide insights into the molecular mechanisms underlying BR signaling, and may allow researchers to explore further the biological functions of endogenous BRs in the germination of axillary buds of ratoon rice.

Grazing is the main grassland management strategy applied in alpine shrubland ecosystems on the Qinghai-Tibetan Plateau. However, how different intensities of long-term grazing affect plant diversity, biomass accumulation and carbon (C) stock in these ecosystems is poorly understood. In this study, alpine shrubland with different long-term (more than 30 years) grazing intensities (excluded from grazing for 5 years (EX), light grazing (LG), moderate grazing (MG) and heavy grazing (HG)) on the Qinghai-Tibetan Plateau were selected to study changes in plant diversity, aboveground biomass and C accumulation, as well as distribution of C stock among biomass components and soil depths. A structural equation model was used to illustrate the impact of grazing on the soil carbon stock (SOC). The results showed that the Shannon–Wiener diversity index and richness index of herbaceous plants, shrubs, and communities first significantly increased and then decreased with increasing grazing intensity, reaching maxima at the LG site. The aboveground and belowground and litter biomass of understory herbaceous plants, shrubs and communities decreased with increasing grazing intensity, reaching maxima at the EX site. The aboveground and belowground biomass C storage decreased with increasing grazing intensity, reaching maxima at the EX site. The SOC stock and total ecosystem C stock decreased with increasing grazing intensity, reaching maxima at the EX and LG sites. A structural equation model showed that grazing-induced changes in the belowground biomass of understory herbaceous plants greatly contributed to the SOC stock decrease. Thus, considering the utilization and renewal of grassland resources, as well as local economic benefits and ecological effects, LG may be a more rational grazing intensity for species diversity conservation and ecosystem C sequestration in alpine shrubland. Our results provide new insights for incorporating grazing intensity into shrub ecosystem C stock and optimizing grazing management and grassland ecosystem C management.

Four-dimensional printing allows for the transformation capabilities of 3D-printed architectures over time, altering their shape, properties, or function when exposed to external stimuli. This interdisciplinary technology endows the 3D architectures with unique functionalities, which has generated excitement in diverse research fields, such as soft robotics, biomimetics, biomedical devices, and sensors. Understanding the selection of the material, architectural designs, and employed stimuli is crucial to unlocking the potential of smart customization with 4D printing. This review summarizes recent significant developments in 4D printing and establishes links between smart materials, 3D printing techniques, programmable structures, diversiform stimulus, and new functionalities for multidisciplinary applications. We start by introducing the advanced features of 4D printing and the key technological roadmap for its implementation. We then place considerable emphasis on printable smart materials and structural designs, as well as general approaches to designing programmable structures. We also review stimulus designs in smart materials and their associated stimulus-responsive mechanisms. Finally, we discuss new functionalities of 4D printing for potential applications and further development directions.

A simple and efficient THz metamaterial based on an asymmetric double split square array resonator was designed and fabricated. The sensitivity and Q value of the metamaterial sensor were theoretically analyzed to be 278 GHz/RIU and 11, respectively. Three typical biological samples with different concentrations were measured to validate the sensitivity of the THz metamaterial. For the bovine serum albumin (BSA) protein solution, the lowest detectable concentration (LDC) can reach to 1 μM, which is comparable to most recent reports. For the Staphylococcus aureus bacteria, the LDC is 1 × 103 cells/mL, and for the K-citrate solution, the LDC is 0.1 mM. Our studies indicate that the THz metamaterial may be effectively applied in the low-concentration detection of biological samples.

Grazing exclusion by fencing is a common and effective grassland management strategy for degraded grassland restoration. Soil bacteria, the most important decomposers of soil organic matter, is the linkage between plant and soil. However, soil bacterial α-diversity and community composition in the recover process of degraded shrubland – grassland ecotone on the Qinghai-Tibet Plateau has not been well understood. Thus, in this research, lightly and heavily degraded shrubland – grassland ecotone and its adjacent communities (alpine shrubland and alpine meadow) during recover process on the Qinghai-Tibet Plateau were selected to study α-diversity and community composition of soil bacteria, as well as the relationships among soil bacterial community, plant community and soil properties. Our results demonstrated that: 1) Dominant taxa at the phylum and genera level in all samples were similar. Proteobacteria, Acidobacteria and Bacteroidetes were dominant phyla, RB41, H16 and Ferruginibacter were dominant genera. 2) Grazing exclusion had no effect on soil bacterial α-diversity. However, grazing exclusion significantly decreased relative abundance of the Chloroflexi phylum, but grazing exclusion significantly increased the Elusimicrobia phylum relative abundance in the alpine meadow plot. 3) There were no significant differences on soil bacterial α-diversity between the heavily and lightly degraded grassland. However, relative abundance of the Planctomycetes phylum, Deltaproteobacteria class and RB41 genus in the alpine meadow plot of heavily degraded grassland were significantly lower than those in the lightly degraded grassland. 4) The higher plant community α-diversity and soil nutrition of shrubland – grassland ecotone did not result in a higher soil bacterial α-diversity. However, relative abundances of Chloroflexi phylum, Deltaproteobacteria class and Nitrospira class in the shrubland – grassland ecotone were significantly higher than those in the alpine meadow and alpine shrubland plots inside fence of the lightly degraded grassland. 5) Structural equation model (SEM) showed that soil organic carbon and soil total nitrogen were dominant factors affecting soil bacterial α-diversity. 6) Redundancy analysis (RDA) indicated that soil nitrate nitrogen and soil total nitrogen were the main driving factors for soil bacterial community composition. Our research found that the changes of soil bacterial α-diversity is incongruous with plant community α-diversity, while soil bacterial community composition is paralleled with plant community α-diversity and soil characteristics, especially the soil chemical property. These findings can provide management support for the restoration of degraded alpine shrubland.

Abstract Soil respiration (Rs) plays a critical role in the global carbon (C) balance, especially in the context of globally increasing nitrogen (N) deposition. However, how N-addition influences C cycle remains unclear. Here, we applied seven levels of N application (0 (N0), 54 (N1), 90 (N2), 126 (N3), 144 (N4), 180 (N5) and 216 kg N ha−1 yr−1 (N6)) to quantify their impacts on Rs and its components (autotrophic respiration (Ra) and heterotrophic respiration (Rh)) and C and N storage in vegetation and soil in alpine meadow on the northeast margin of the Qinghai-Tibetan Plateau. We used a structural equation model (SEM) to explore the relative contributions of C and N storage, soil temperature and soil moisture and their direct and indirect pathways in regulating soil respiration. Our results revealed that the Rs, Ra and Rh, C and N storage in plant, root and soil (0–10 cm and 10–20 cm) all showed initial increases and then tended to decrease at the threshold level of 180 kg N ha−1 yr−1. The SEM results indicated that soil temperature had a greater impact on Rs than did volumetric soil moisture. Moreover, SEM also showed that C storage (in root, 0–10 and 10–20 cm soil layers) was the most important factor driving Rs. Furthermore, multiple linear regression model showed that the combined root C storage, 0–10 cm and 10–20 cm soil layer C storage explained 97.4–97.6% variations in Rs; explained 94.5–96% variations in Ra; and explained 96.3–98.1% in Rh. Therefore, the growing season soil respiration and its components can be well predicted by the organic C storage in root and topsoil in alpine meadow of the north-eastern Qinghai-Tibetan Plateau. Our study reveals the importance of topsoil and root C storage in driving growing season Rs in alpine meadow on the northeast margin of Qinghai-Tibetan Plateau.

Abstract The development of efficient earth-abundant electrocatalysts for oxygen reduction, oxygen evolution, and hydrogen evolution reactions (ORR, OER, and HER) is important for future energy conversion and energy storage devices, for which both rechargeable Zn–air batteries and water splitting have raised great expectations. Herein, we report a single-phase bimetallic nickel cobalt sulfide ((Ni,Co)S2) as an efficient electrocatalyst for both OER and ORR. Owing to the synergistic combination of Ni and Co, the (Ni,Co)S2 exhibits superior electrocatalytic performance for ORR, OER, and HER in an alkaline electrolyte, and the first principle calculation results indicate that the reaction of an adsorbed O atom with a H2O molecule to form a *OOH is the potential limiting step in the OER. Importantly, it could be utilized as an advanced air electrode material in Zn–air batteries, which shows an enhanced charge–discharge performance (charging voltage of 1.71 V and discharge voltage of 1.26 V at 2 mA cm−2), large specific capacity (842 mAh gZn−1 at 5 mA cm−2), and excellent cycling stability (480 h). Interestingly, the (Ni,Co)S2-based Zn–air battery can efficiently power an electrochemical water-splitting unit with (Ni,Co)S2 serving as both the electrodes. This reveals that the prepared (Ni,Co)S2 has promising applications in future energy conversion and energy storage devices.

Under the guidance of molecular simulation technology, the Monte Carlo molecular mechanics simulation was used to calculate the compatibility of different lipophilic groups with each component of bitumen, and the compatibility of different hydrophilic groups with water. Based on the calculated results of interaction parameters Chi and mixture energy Emix, the preferred structures of lipophilic and hydrophilic groups of bitumen emulsifier were determined. The target bitumen emulsifier was then synthesized by the reaction of organic acid and polyamine. The molecular simulation results showed that the compatibility of lipophilic group T11 with the bitumen was the best, and the mixing ability of the hydrophilic group H5 with water was excellent. The experimental results show that the preferred structures T11H5 had a good emulsifying performance to prepare emulsified bitumen with good storage stability, consistent with the results of the molecular simulation.

Abstract Background Quantitative evaluation of protein structural evolution is important for our understanding of protein biological functions and their evolutionary adaptation, and is useful in guiding protein engineering. However, compared to the models for sequence evolution, the quantitative models for protein structural evolution received less attention. Ancient protein superfamilies are often considered versatile, allowing genetic and functional diversifications during long-term evolution. In this study, we investigated the quantitative impacts of sequence variations on the structural evolution of homologues in 68 ancient protein superfamilies that exist widely in sequenced eukaryotic, bacterial and archaeal genomes. Results We found that the accumulated structural variations within ancient superfamilies could be explained largely by a bilinear model that simultaneously considers amino acid substitution and insertion/deletion (indel). Both substitutions and indels are essential for explaining the structural variations within ancient superfamilies. For those ancient superfamilies with high bilinear multiple correlation coefficients, the influence of each unit of substitution or indel on structural variations is almost constant within each superfamily, but varies greatly among different superfamilies. The influence of each unit indel on structural variations is always larger than that of each unit substitution within each superfamily, but the accumulated contributions of indels to structural variations are lower than those of substitutions in most superfamilies. The total contributions of sequence indels and substitutions (46% and 54%, respectively) to the structural variations that result from sequence variations are slightly different in ancient superfamilies. Conclusions Structural variations within ancient protein superfamilies accumulated under the significantly bilinear influence of amino acid substitutions and indels in sequences. Both substitutions and indels are essential for explaining the structural variations within ancient superfamilies. For those structural variations resulting from sequence variations, the total contribution of indels is slightly lower than that of amino acid substitutions. The regular clock exists not only in protein sequences, but also probably in protein structures.

Conventional trial-error method is inefficient in discovering new functional materials in vast chemical and structural space. Here Lu et al. use machine learning techniques to screen out the most promising lead-free organic-inorganic perovskites with proper bandgap and stability from thousands of them in a flash.

While water reduction may provide a carbon-neutral means to produce hydrogen gas, there is a scarcity of efficient, earth-abundant electrocatalysts. Here, the authors add palladium into MoS2 materials to activate and stabilize the conductive basal plane to improve the electrocatalytic activity.

Terahertz (THz) technology has unique applications in, for example, wireless communication, biochemical characterization, and security inspection. However, high-efficiency, low-cost, and actively tunable THz modulators are still scarce. We propose a broadband tunable THz beam deflector based on liquid crystals (LCs). By a periodic gradual distribution of the orientation of the LC in one direction, a frequency-independent geometric phase modulation is obtained. The LC device with this specific orientation distribution was obtained through ultraviolet polarization exposure. We have verified the broadband beam deflection in both the simulation and experiment. The device can achieve a good spin-coupled beam deflection effect in the 0.8–1.2 Thz band, and the average polarization conversion efficiency exceeds 70%. Moreover, because the electro-optical responsivity of LCs is excellent, graphene transparent electrode layers introduced on the upper and lower substrates enable the deflection modulation to be switched and dynamic tuning to be achieved.

Two-dimensional materials: Repairing atomic defects via solution processing Defects can heavily influence the electrical transport properties of three-dimensional materials. But their impact becomes even more pronounced in low-dimensional systems. Fengqi Song and colleagues use a combination of calculations and experiments to show that a simple drop of a chemical solution can repair the selenium vacancies in field-effect transistors made from single layer molybdenum diselenide. By reducing the number of vacancies, which localize the electronic transport, the authors increased the carrier mobilities to nearly the intrinsic value by 2–3 orders of magnitude. The defect dynamics is visualized by the high resolution electron microscopy and multislice simulations. Such an approach could provide a route for enabling practical devices to be made from these relatively fragile materials.

Molecular recognition is an important biological process where guest and host molecules interact through non-covalent bonding. Yeet al. show that this can be sensed by the dielectric and ferroelectric signals of the final complexes in a series of metal-coordination compounds with different diol molecules.

OPA1 is a dynamin-related GTPase that controls mitochondrial fusion, cristae remodeling, energetics and mtDNA maintenance. However, the molecular architecture of OPA1 is poorly understood. Here we modeled the structure of human OPA1 by the threading approach. We found that the C-terminal region of the OPA1 protein had multiple functional domains, while the N-terminal region was rich in alpha helices and did not include specific domains. For the short soluble forms of OPA1, we observed that there were obvious hydrophobic regions near the two cleavage sites and the N-terminal was positively charged after cleavage. The blue native analysis revealed that the protein could form stable homodimers. In addition, the evolutionary conservation of the C-terminal region, where most of the known mutated disease-related sites were located, was significantly higher than that of the N-terminal region. These findings provided new insights into the structure and biochemical function of OPA1.

Toll-like receptors (TLRs) play important role in the innate immune system. TLR15 is reported to have a unique role in defense against pathogens, but its structural and evolution characterizations are still poorly understood. In this study, we identified 57 completed TLR15 genes from avian and reptilian genomes. TLR15 clustered into an individual clade and was closely related to family 1 on the phylogenetic tree. Unlike the TLRs in family 1 with the broken asparagine ladders in the middle, TLR15 ectodomain had an intact asparagine ladder that is critical to maintain the overall shape of ectodomain. The conservation analysis found that TLR15 ectodomain had a highly evolutionarily conserved region on the convex surface of LRR11 module, which is probably involved in TLR15 activation process. Furthermore, the protein–protein docking analysis indicated that TLR15 TIR domains have the potential to form homodimers, the predicted interaction interface of TIR dimer was formed mainly by residues from the BB-loops and αC-helixes. Although TLR15 mainly underwent purifying selection, we detected 27 sites under positive selection for TLR15, 24 of which are located on its ectodomain. Our observations suggest the structural features of TLR15 which may be relevant to its function, but which requires further experimental validation.

The electronic structure and optical response of silicane to strain are investigated by employing first-principles calculations based on many-body perturbation theory. The bandgap can be efficiently engineered in a broad range and an indirect to direct bandgap transition is observed under a strain of 2.74%; the semiconducting silicane can even be turned into a metal under a very large strain. The transitions derive from the persistent downward shift of the lowest conduction band at the Tpoint upon an increasing strain. The quasi-particle bandgaps of silicane are sizable due to the weak dielectric screening and the low dimension; they are rapidly reduced as strain increases while the exciton bound energy is not that sensitive. Moreover, the optical absorption edge of the strained silicane significantly shifts towards a low photon energy region and falls into the visible light range, which might serve as a promising candidate for optoelectronic devices. [ABSTRACT FROM AUTHOR]