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Abstract Layer Hall effect (LHE), initially discovered in the magnetic topological insulator MnBi2Te4 film, expands the Hall effect family and opens a promising avenue for layertronics applications. In this study, we present an innovative ferroelectric bilayer model to attain a tunable quantum anomalous layer Hall effect (QALHE). This model comprises two ferromagnetic orbital-active Dirac monolayers stacked antiferromagnetically, accompanied by out-of-plane electric polarization. The interplay between the layer-locked Berry curvature monopoles and the intrinsic out-of-plane electric polarization leads to layer-polarized near-quantized anomalous Hall conductance. Using first-principles calculations, we have identified a promising material for this model, namely FeS bilayer. Our calculations demonstrate that the intrinsic out-of-plane electric polarization in the Bernal-stacked FeS bilayer can induce QALHE by regulating the layer-locked Berry curvature of FeS monolayers. Importantly, the intrinsic electric field can be reversed through interlayer sliding. The discovery of ferroelectrically modulated QALHE paves the way for the integrability and non-volatility of layertronics, offering exciting prospects for future applications.

Abstract Cellulose is an important abundant renewable resource on Earth, and the microbial cellulose utilization mechanism has attracted extensive attention. Recently, some signalling molecules have been found to regulate cellulose utilization and the discovery of underlying signals has recently attracted extensive attention. In this paper, we found that the hydrogen sulfide (H2S) concentration under cellulose culture condition increased to approximately 2.3-fold compared with that under glucose culture condition in Ganoderma lucidum. Further evidence shown that cellulase activities of G. lucidum were improved by 18.2-27.6% through increasing H2S concentration. Then, we observed that the carbon repressor CreA inhibited H2S biosynthesis in G. lucidum by binding to the promoter of cbs, a key gene for H2S biosynthesis, at “CTGGGG”. In our study, we reported for the first time that H2S increased the cellulose utilization in G. lucidum, and analyzed the mechanism of H2S biosynthesis induced by cellulose. This study not only enriches the understanding of the microbial cellulose utilization mechanism but also provides a reference for the analysis of the physiological function of H2S signals.

Hydrogen sulfide (H2S) has recently been recognized as an important gaseous transmitter with multiple physiological effects in various species. Previous studies have shown that H2S alleviated heat-induced ganoderic acids (GAs) biosynthesis, an important quality index of Ganoderma lucidum. However, a comprehensive understanding of the physiological effects and molecular mechanisms of H2S in G. lucidum remains unexplored. In this study, we found that heat treatment reduced the mitochondrial membrane potential (MMP) and mitochondrial DNA copy number (mtDNAcn) in G. lucidum. Increasing the intracellular H2S concentration through pharmacological and genetic means increased the MMP level, mtDNAcn, oxygen consumption rate level and ATP content under heat treatment, suggesting a role for H2S in mitigating heat-caused mitochondrial damage in G. lucidum. Further results indicated that H2S activates sulfide-quinone oxidoreductase (SQR) and complex III (Com III), thereby maintaining mitochondrial homeostasis under heat stress in G. lucidum. Moreover, SQR also mediated the negative regulation of H2S to GAs biosynthesis under heat stress. Furthermore, SQR might be persulfidated under heat stress in G. lucidum. Thus, our study reveals a novel physiological function and molecular mechanism of H2S signalling under heat stress in G. lucidum with broad implications for research on the environmental response of microorganisms.

Abstract PRMT5, a type II arginine methyltransferase, is involved in transcriptional regulation, RNA processing and other biological processes and signal transduction. Secondary metabolites are vital pharmacological compounds in Ganoderma lucidum, and their content is an important indicator for evaluating the quality of G. lucidum. Here, we found that GlPRMT5 negatively regulates the biosynthesis of secondary metabolites. In further in-depth research, GlPP2C1 (a type 2C protein phosphatase) was identified out as an interacting protein of GlPRMT5 by immunoprecipitation-mass spectrometry (IP-MS). Further mass spectrometry detection revealed that GlPRMT5 symmetrically dimethylates the arginine 99 (R99) and arginine 493 (R493) residues of GlPP2C1 to weaken its activity. The symmetrical dimethylation modification of the R99 residue is the key to affecting GlPP2C1 activity. Symmetrical demethylation-modified GlPP2C1 does not affect the interaction with GlPRMT5. In addition, silencing GlPP2C1 clearly reduced GA content, indicating that GlPP2C1 positively regulates the biosynthesis of secondary metabolites in G. lucidum. In summary, this study reveals the molecular mechanism by which GlPRMT5 regulates secondary metabolites, and these studies provide further insights into the target proteins of GlPRMT5 and symmetric dimethylation sites. Furthermore, these studies provide a basis for the mutual regulation between different epigenetic modifications.

Abstract Recent advancements in developing metahyperbolic surfaces through substrate patterning have enabled the realization of highly-directional hyperbolic surface plasmons, but the feasibility of reproducing the same properties in natural hyperbolic two-dimensional (2D) materials is still unexplored. In this study, we expand the possibility of natural 2D materials in achieving electromagnetic scenarios akin to those observed in metahyperbolic surfaces. Natural hyperbolic 2D materials provide inherent advantages for simplicity, predictability, and lower losses compared to meta-surfaces. By employing first-principles calculations, we find that realistic 2D material, specifically the RuOCl2 monolayer, are suitable alternatives to metahyperbolic surfaces. Indeed, RuOCl2 monolayer sustains carrier-density-independent and broadband low-loss hyperbolic responses across the terahertz to ultraviolet spectral range, owning to the highly-anisotropic electronic band structures characterized by quasi-one-dimensional electron gas. These findings shed light on the integration of hyperbolicity in natural 2D materials, opening new avenues for the design and development of optoelectronic devices and nanoscale imaging systems.

Abstract Background Edible mushrooms are delicious in flavour and rich in high-quality protein and amino acids required by humans. A transcription factor, general control nonderepressible 4 (GCN4), can regulate the expression of genes involved in amino acid metabolism in yeast and mammals. A previous study revealed that GCN4 plays a pivotal role in nitrogen utilization and growth in Ganoderma lucidum. However, its regulation is nearly unknown in mushrooms. Results In this study, we found that the amino acid contents reached 120.51 mg per gram of mycelia in the WT strain under 60 mM asparagine (Asn) conditions, but decreased by 62.96% under 3 mM Asn conditions. Second, silencing of gcn4 resulted in a 54.2% decrease in amino acid contents under 60 mM Asn, especially for the essential and monosodium glutamate-like flavour amino acids. However, these effects were more pronounced under 3 mM Asn. Third, silencing of gcn4 markedly inhibited the expression of amino acid biosynthesis and transport genes. In addition, GCN4 enhanced the tricarboxylic acid cycle (TCA) and glycolytic pathway and inhibited the activity of target of rapamycin complex 1 (TORC1), thus being beneficial for maintaining amino acid homeostasis. Conclusion This study confirmed that GCN4 contributes to maintaining the amino acid contents in mushrooms under low concentrations of nitrogen. In conclusion, our study provides a research basis for GCN4 to regulate amino acid synthesis and improve the nutrient contents of edible mushrooms.

ABSTRACT In the current study, the silencing of protein arginine methyltransferase 5 (PRMT5) decreased the polysaccharide content of Ganoderma lucidum compared to that of the wild-type (WT) strain. Furthermore, RNA-seq screening showed that the glycan degradation process-related gene thaumatin-like protein (TLP) was alternatively spliced in WT strains via retained introns, leading to the production of a longer TLP1 isoform and a shorter TLP2 isoform; however, only the TLP2 isoform was observed in PRMT5i strains. Experiments examining the polysaccharide content of the TLP silencing, TLP1 overexpression (OE-TLP1), and TLP2 overexpression (OE-TLP2) transformants revealed that TLP2 plays a more important role than TLP1 in polysaccharide degradation. Through a combination of yeast two-hybrid, bimolecular fluorescence complementation and surface plasmon resonance assays, we found that TLP2 directly physically interacted with phosphoglucose isomerase (PGI), a key enzyme in polysaccharide synthesis, and thereby increased PGI activity. However, TLP1 failed to interact with PGI, and PGI activity was not affected. Further inspection showed that the polysaccharide content was decreased in the OE-TLP2 strains but not significantly changed in the OE-TLP1 strains compared with that in the WT strains. In addition, the polysaccharide content of the PRMT5-TLP-cosilenced strains was not significantly different from that of the WT strains. These results demonstrate that PRMT5 modulates TLP processing of pre-mRNA transcripts and thereby decreases the polysaccharide content. IMPORTANCE PRMT5 contributes to secondary metabolite biosynthesis in Ganoderma lucidum. However, the mechanism through which PRMT5 regulates the biosynthesis of secondary metabolites remains unclear. In the current study, PRMT5 silencing led to a significant decrease in the biosynthesis of polysaccharides from G. lucidum through the action of the alternative splicing of TLP. A shorter TLP2 isoform can directly bind to PGI and regulated polysaccharide biosynthesis. These results suggest that PRMT5 enhances PGI activity by regulating TLP binding to PGI. The results of the current study reveal a novel target gene for PRMT5-mediated alternative splicing and provide a reference for the identification of PRMT5 regulatory target genes.

Two-dimensional (2D) auxetic properties and ferromagnetism are two major focuses of research for next-generation nanomechanical and spintronic devices. However, 2D materials with the two properties at the same time are rarely reported. Based on first-principles calculations, we propose the 2D bimetallic phosphide ScMP2 (M = Mn and Cr), including three stable tetragonal monolayers. The monolayer ScMnP2 exhibit the square structural phase while there is a structural phase transition between the square ScCrP2 and the rectangular ScCrP2, which originates from the mechanism of ferroelasticity and ferroelectricity. Both monolayers ScCrP2 exhibit in-plane auxetic properties, and the value of the negative Poisson’s ratio can reach –0.322. All the three monolayers show a ferromagnetic ground state with high Curie temperature, and are a Dirac half-metal without spin–orbit coupling (SOC). When considering SOC, a nontrivial bandgap can be found in the monolayer ScMnP2, which further becomes a half-Chern insulator. Importantly, the structural phase transitions from the square lattice to the rectangular lattice in the monolayers ScCrP2 will enable a significant improvement in the values of negative Poisson’s ratio and magnetic anisotropic energy simultaneously. Taking the multiferroic (ferroelastic, ferroelectric, and ferromagnetic), auxetic, and topological properties into consideration, the 2D system of ScMP2 provide promising applications for future multifunctional nanodevices.

Abstract Sliding ferroelectricity (SFE) found in two-dimensional (2D) van der Waals (vdW) materials, such as BN and transition-metal dichalcogenides bilayers, opens an avenue for 2D ferroelectric materials. Multiferroic coupling in 2D SFE materials brings us an alternative concept for spintronic memory devices. In this study, using first-principles calculations, we demonstrate that MnSe multilayers constructed by the recently-synthesized MnSe monolayer have large sliding-driven reversible out-of-plane electric polarization (~10.6 pC m−1) and moderate interlayer sliding barriers superior to the existing 2D SFE materials. Interestingly, the intrinsic electric polarization is accompanied by nonzero net magnetic moments which are also switchable via lateral interlayer sliding. Additionally, both SFE and magnetoelectric coupling can be effectively regulated by external strain and/or hole doping. Our findings suggest the potential of MnSe multilayers in 2D multiferroic and spintronic applications.

ABSTRACT: The discovery of graphene has led to the devotion of intensive efforts, theoretical and experimental, to produce two-dimensional (2D) materials that can be used for developing functional materials and devices. This work provides a brief review of the recent developments in the lattice models of 2D Dirac materials and their relevant real material counterparts that are crucial for understanding the origins of 2D Dirac cones in electronic band structures as well as their material design and device applications. We focus on the roles of lattice symmetry, atomic orbital hybridization, and spin–orbit coupling in the presence of a Dirac cone. A number of lattice models, such as honeycomb, kagome, ruby, star, Cairo, and line-centered honeycomb, with different symmetries are reviewed based on the tight-binding approach. Inorganic and organic 2D materials, theoretically proposed or experimentally synthesized to satisfy these 2D Dirac lattice models, are summarized.

Dispersionless plasmons could find important practical applications, but previous demonstrations have been limited to 2D materials and small momentum range. Here the authors report ultra-flat plasmons propagating over a wide range of momenta in a 3D strongly correlated oxide α-Ti2O3.

Abstract Electrocatalysts play key roles in improving the performance of lithium sulfur (Li‐S) batteries. Here, the electrocatalytic activity of different CoSe2 surfaces for the polysulfide redox reactions in Li‐S batteries, by means of first‐principle calculations is considered. The authors demonstrate that there are obvious differences in surface energy (0.7–2.34 J m−2), adsorption energy for lithium polysulfides (LiPSs) (1.2–3.5 eV), Gibbs free energy of sulfur reduction reaction (SRR) (0.37–1.16 eV), and Li2S decomposition barrier (0.15–0.94 eV) among different CoSe2 surfaces, and thus lead to the different electrocatalytic activity for different CoSe2 surface. The stoichiometric CoSe2 surface with high surface energy, such as the (001) surface, tends to have stronger adsorption energy and larger SRR Gibbs free energy for LiPSs. The surface electron states are mainly dominated by p–d hybridization orbitals and the p‐band center is vital for the surface electrocatalytic properties. Such surface‐dependent mechanism may shed light on the design of sulfur host materials for high‐performance Li‐S batteries.

Edible fungi are generally defined as macrofungi with large fruiting bodies that may be consumed by humans and are commonly referred to as mushrooms [...]

Magnetism has revolutionized important technologies, and continues to bring forth new phenomena in emergent materials and reduced dimensions. Here, using first-principles calculations, we demonstrate that the already-synthesized two-dimensional (2D) Ni-tetracyanoquinodimethane (Ni2(TCNQ)2) lattice is a stable ferromagnetism material with multiple spin-polarized Dirac cones. The conical bands in proximity of the Fermi level can be tuned by external tensile strain and show the fourfold degenerate electronic states at the critical tensile strain of ∼2.35 %, whose energy dispersion is consistent with 2D Cairo pentagonal lattice. In addition, spin-orbital coupling can open a band gap at the Dirac point of A, leading to topologically nontrivial electronic states characterized by the non-zero Chern number and the edge states of nanoribbon. Our results offer versatile platforms for the realization of massless spintronics with full-spin polarization in 2D Cairo pentagonal Ni2(TCNQ)2 Lattice.

ABSTRACT Water stress affects both the growth and development of filamentous fungi; however, the mechanisms underlying their response to water stress remain unclear. In this study, water stress was found to increase intracellular reactive oxygen species (ROS) level, ganoderic acid (GA) content, and NADPH oxidase (NOX) activity of Ganoderma lucidum by 148.45%, 75.32%, and 161.61%, respectively. Water stress induced the expression of the G. lucidum aquaporin (GlAQP) gene, which facilitated water transfer for microbial growth. Compared to wild type (WT), exposure to water stress increased growth inhibition rate, ROS level, and GA content of GlAQP-silenced strains by 37 to 41%, 36 to 38%, and 25%, respectively. Furthermore, at the early stage of fermentation in GlAQP-silenced strains, water stress resulted in 16 to 17% and 9 to 10% lower ROS level and GA content compared to WT, respectively. However, in GlAQP-overexpressing strains, ROS level and GA content were 22 to 24% and 12 to 13% higher than in WT, respectively. In GlAQP-silenced strains, water stress at the late stage resulted in 35 to 37% and 29 to 30% higher ROS level and GA content, respectively, while in GlAQP-overexpressing strains, levels were 16 to 17% and 9% lower than WT, respectively. Cross talk between GlAQP and NOX positively regulated the GA biosynthesis of G. lucidum via ROS under water stress at the early stage but this regulation became negative at the late stage. This study deepens the understanding of fungal signaling transduction under water stress and provides a reference for analyzing environmental factors that influence the regulation of the fungal secondary metabolism. IMPORTANCE Ganoderma lucidum is an advanced basidiomycete that produces medicinally active secondary metabolites (especially ganoderic acid [GA]) with high commercial value. Water stress imposes an important environmental challenge to G. lucidum. The mechanism of GA biosynthesis under water stress and the role of G. lucidum aquaporin (GlAQP) during its biosynthesis remain unclear. Moreover, the effect of the relationship between GlAQP and NADPH oxidase (NOX) on the level of reactive oxygen species and GA production under water stress is unknown. This study provides information on the biological response mechanism of G. lucidum to water stress. A new theory on the cell signaling cascade of G. lucidum tolerance to water stress is provided that also incorporates the biosynthesis of secondary metabolites involved in NOX and GlAQP.

Liu et al. identify catalase as a target of S-nitrosylation by GSNOR and the specific sites of S-nitrosylation critical for its role in regulating secondary metabolite production in Ganoderma lucidum under heat stress. This study suggests that GSNOR regulates other metabolic pathways in microorganisms through S-nitrosylation of target proteins in response to environmental changes.

Abstract The management of diabetic ulcer (DU) to rescue stalled wound healing remains a paramount clinical challenge due to the spatially and temporally coupled pathological wound microenvironment that features hyperglycemia, biofilm infection, hypoxia and excessive oxidative stress. Here we present a pH-switchable nanozyme cascade catalysis (PNCC) strategy for spatial–temporal modulation of pathological wound microenvironment to rescue stalled healing in DU. The PNCC is demonstrated by employing the nanozyme of clinically approved iron oxide nanoparticles coated with a shell of glucose oxidase (Fe3O4-GOx). The Fe3O4-GOx possesses intrinsic glucose oxidase (GOx), catalase (CAT) and peroxidase (POD)-like activities, and can catalyze pH-switchable glucose-initiated GOx/POD and GOx/CAT cascade reaction in acidic and neutral environment, respectively. Specifically, the GOx/POD cascade reaction generating consecutive fluxes of toxic hydroxyl radical spatially targets the acidic biofilm (pH ~ 5.5), and eradicates biofilm to shorten the inflammatory phase and initiate normal wound healing processes. Furthermore, the GOx/CAT cascade reaction producing consecutive fluxes of oxygen spatially targets the neutral wound tissue, and accelerates the proliferation and remodeling phases of wound healing by addressing the issues of hyperglycemia, hypoxia, and excessive oxidative stress. The shortened inflammatory phase temporally coupled with accelerated proliferation and remodeling phases significantly speed up the normal orchestrated wound-healing cascades. Remarkably, this Fe3O4-GOx-instructed spatial–temporal remodeling of DU microenvironment enables complete re-epithelialization of biofilm-infected wound in diabetic mice within 15 days while minimizing toxicity to normal tissues, exerting great transformation potential in clinical DU management. The proposed PNCC concept offers a new perspective for complex pathological microenvironment remodeling, and may provide a powerful modality for the treatment of microenvironment-associated diseases. Graphical Abstract

ABSTRACT Putrescine (Put) has been shown to play an important regulatory role in cell growth in organisms. As the primary center regulating the homeostasis of polyamine (PA) content, ornithine decarboxylase antizyme (AZ) can regulate PA content through feedback. Nevertheless, the regulatory mechanism of Put is poorly understood in fungi. Here, our analysis showed that GlAZ had a modulate effect on intracellular Put content by interacting with ornithine decarboxylase (ODC) proteins and reducing its intracellular protein levels. In addition, GlAZ upregulated the metabolic pathway of ganoderic acid (GA) biosynthesis in Ganoderma lucidum by modulating the intracellular Put content. However, a target of rapamycin (TOR) was found to promote the accumulation of intracellular Put after the GlTOR inhibitor Rap was added exogenously, and unbiased analyses demonstrated that GlTOR may promote Put production through its inhibitory effect on the level of GlAZ protein in GlTOR-GlAZ-cosilenced strains. The effect of TOR on fungal secondary metabolism was further explored, and the content of GA in the GlTOR-silenced strain after the exogenous addition of the inhibitor Rap was significantly increased compared with that in the untreated wild-type (WT) strain. Silencing of TOR in the GlTOR-silenced strains caused an increase in GA content, which returned to the WT state after replenishing Put. Moreover, the content of GA in GlTOR-GlAZ-cosilenced strains was also not different from that in the WT strain. Consequently, these results strongly indicate that GlTOR affects G. lucidum GA biosynthesis via GlAZ. IMPORTANCE Research on antizyme (AZ) in fungi has focused on the mechanism by which AZ inhibits ornithine decarboxylase (ODC). Moreover, there are existing reports on the regulation of AZ protein translation by TOR. However, little is known about the mechanisms that influence AZ in fungal secondary metabolism. Here, both intracellular Put content and GA biosynthesis in G. lucidum were shown to be regulated through protein interactions between GlAZ and GlODC. Furthermore, exploration of upstream regulators of GlAZ suggested that GlAZ was regulated by the upstream protein GlTOR, which affected intracellular Put levels and ganoderic acid (GA) biosynthesis. The results of our work contribute to the understanding of the upstream regulation of Put and provide new insights into PA regulatory systems and secondary metabolism in fungi.

Auricularia polytricha possesses hypolipidemic effects and decreases lipid accumulation, leading to potential food additives for functional food processing. In this research, we explored the potential effects of A. polytricha noodles on hyperlipidemia and gut microbiota dysbiosis, and elucidated their possible regulatory mechanisms on lipid metabolism in high-fat diet (HFD) mice. A. polytricha noodles treatment significantly (P

Fungal AreA is a key nitrogen metabolism transcription factor in nitrogen metabolism repression (NMR). Studies have shown that there are different ways to regulate AreA activity in yeast and filamentous ascomycetes, but in Basidiomycota, how AreA is regulated is unknown. Here, a gene from Ganoderma lucidum with similarity to nmrA of filamentous ascomycetes was identified. The NmrA interacted with the C-terminal of AreA according to yeast two-hybrid assay. In order to determine the effect of NmrA on the AreA, 2 nmrA silenced strains of G. lucidum, with silencing efficiencies of 76% and 78%, were constructed using an RNA interference method. Silencing nmrA resulted in a decreased content of AreA. The content of AreA in nmrAi-3 and nmrAi-48 decreased by approximately 68% and 60%, respectively, compared with that in the WT in the ammonium condition. Under the nitrate culture condition, silencing nmrA resulted in a 40% decrease compared with the WT. Silencing nmrA also reduced the stability of the AreA protein. When the mycelia were treated with cycloheximide for 6 h, the AreA protein was almost undetectable in the nmrA silenced strains, while there was still approximately 80% of the AreA protein in the WT strains. In addition, under the nitrate culture, the content of AreA protein in the nuclei of the WT strains was significantly increased compared with that under the ammonium condition. However, when nmrA was silenced, the content of the AreA protein in the nuclei did not change compared with the WT. Compared with the WT, the expression of the glutamine synthetase gene in nmrAi-3 and nmrAi-48 strains increased by approximately 94% and 88%, respectively, under the ammonium condition, while the expression level of the nitrate reductase gene in nmrAi-3 and nmrAi-48 strains increased by approximately 100% and 93%, respectively, under the nitrate condition. Finally, silencing nmrA inhibited mycelial growth and increased ganoderic acid biosynthesis. Our findings are the first to reveal that a gene from G. lucidum with similarity to the nmrA of filamentous ascomycetes contributes to regulating AreA, which provides new insight into how AreA is regulated in Basidiomycota.

Abstract Topological insulators (TIs) are considered as ideal platforms for generating large spin Hall conductivity (SHC), however, the bulk carrier problem, which is unavoidable in TIs, hinders their practical applications. Recently, topological semimetals (TSMs) have been proposed to achieve large SHC to replace TIs. However, the ideal TSM candidates with large SHC are still lacking. In terms of first-principles calculations, we predict that Ta3As family compounds exhibit complex crossing nodal-lines (CNL) properties in absence of the spin-orbit coupling (SOC). However, they transfer to Dirac TSMs under the influence of strong SOC, and present large SHC around Fermi level in particular. Remarkably, the SHC value of Ta3Y (Y = As, Sb, Bi) is around 1500–1700 $$(\hbar /e)({\mathrm{{\Omega}}} \cdot {\mathrm{cm}})^{ - 1}$$ ( ħ / e ) ( Ω ⋅ cm ) − 1 , which is comparable to noble metal Pt and much larger than TIs, Weyl TSMs, and 4d/5d transition metals. Our work not only suggests a kind of TSM family with interesting Dirac CNL around Fermi level, but also paves the way for searching large intrinsic SHC materials in complex CNL TSM systems.

Abstract The recent discovery of topological superconductors (TSCs) has sparked enormous interest. The realization of TSC requires a delicate tuning of multiple microscopic parameters, which remains a great challenge. Here, we develop a first-principles approach to quantify realistic conditions of TSC by solving self-consistently Bogoliubov-de Gennes equation based on a Wannier function construction of band structure, in presence of Rashba spin-orbit coupling, Zeeman splitting and electron-phonon coupling. We further demonstrate the power of this method by predicting the Mn-doped GeTe (Ge1-x Mn x Te) monolayer—a well-known dilute magnetic semiconductor showing superconductivity under hole doping—to be a Class D TSC with Chern number of −1 and chiral Majorana edge modes. By constructing a first-principles phase diagram in the parameter space of temperature and Mn concentration, we propose the TSC phase can be induced at a lower-limit transition temperature of ~40 mK and the Mn concentration of x~0.015%. Our approach can be generally applied to TSCs with a phonon-mediated pairing, providing useful guidance for future experiments.

Abstract The emergence of bacterial resistance due to the evolution of microbes under antibiotic selection pressure, and their ability to form biofilm, has necessitated the development of alternative antimicrobial therapeutics. Physical stimulation, as a powerful antimicrobial method to disrupt microbial structure, has been widely used in food and industrial sterilization. With advances in nanotechnology, nanophysical antimicrobial strategies (NPAS) have provided unprecedented opportunities to treat antibiotic‐resistant infections, via a combination of nanomaterials and physical stimulations. In this review, NPAS are categorized according to the modes of their physical stimulation, which include mechanical, optical, magnetic, acoustic, and electrical signals. The biomedical applications of NPAS in combating bacterial infections are systematically introduced, with a focus on their design and antimicrobial mechanisms. Current challenges and further perspectives of NPAS in the clinical treatment of bacterial infections are also summarized and discussed to highlight their potential use in clinical settings. The authors hope that this review will attract more researchers to further advance the promising field of NPAS, and provide new insights for designing powerful strategies to combat bacterial resistance.

The bivariate probability distribution of significant wave heights and mean wave periods has an indispensable guiding role in the implementation of offshore engineering, which has attracted great attention. This work gives a new bivariate method to describe the bivariate distribution of significant wave height and mean wave period at the NanJi, BeiShuang, and XiaoMaiDao stations from 2018 to 2020. A mixed lognormal distribution is used for univariate probability analysis of wave data, and the method of connecting two mixed lognormal distributions with copula functions is applied to construct bivariate distribution. The results show that compared with Weibull and lognormal distributions, the mixed lognormal distribution shows good performance in fitting marginal distributions. In the bivariate probability analysis, the conditional model overestimates the probability of lower wave heights, and the bivariate function model has a poor fitting effect in the region with larger periods. In contrast, the copula model based on mixed lognormal distribution is more suited to describe the joint distribution of significant wave height and mean wave period.

Sepsis is a life-threatening organ dysfunction characterized by severe systemic inflammatory response to infection. Effective treatment of bacterial sepsis remains a paramount clinical challenge, due to its astonishingly rapid progression and the prevalence of bacterial drug resistance. Here, we present a decoy nanozyme-enabled intervention strategy for multitarget blockade of proinflammatory cascades to treat multi-drug-resistant (MDR) bacterial sepsis. The decoy nanozymes (named MCeC@MΦ) consist mesoporous silica nanoparticle cores loaded with CeO2 nanocatalyst and Ce6 photosensitizer and biomimetic shells of macrophage membrane. By acting as macrophage decoys, MCeC@MΦ allow targeted photodynamic eradication of MDR bacteria and realize simultaneous endotoxin/proinflammatory cytokine neutralization. Meanwhile, MCeC@MΦ possess intriguing superoxide dismutase and catalase-like activities as well as hydroxyl radical antioxidant capacity and enable catalytic scavenging of multiple reactive oxygen species (ROS). These unique capabilities make MCeC@MΦ to collaboratively address the issues of bacterial infection, endotoxin/proinflammatory cytokine secretion, and ROS burst, fully cutting off the path of proinflammatory cascades to reverse the progression of bacterial sepsis. In vivo experiments demonstrate that MCeC@MΦ considerably attenuate systemic hyperinflammation and rapidly rescue organ damage within 1 day to confer higher survival rates (>75%) to mice with progressive MDR Escherichia coli bacteremia. The proposed decoy nanozyme-enabled multitarget collaborative intervention strategy offers a powerful modality for bacterial sepsis management and opens up possibilities for the treatment of cytokine storm in the COVID-19 pandemic and immune-mediated inflammation diseases.

One key task in virtual screening is to accurately predict the binding affinity (△G) of protein-ligand complexes. Recently, deep learning (DL) has significantly increased the predicting accuracy of scoring functions due to the extraordinary ability of DL to extract useful features from raw data. Nevertheless, more efforts still need to be paid in many aspects, for the aim of increasing prediction accuracy and decreasing computational cost. In this study, we proposed a simple scoring function (called OnionNet-2) based on convolutional neural network to predict △G. The protein-ligand interactions are characterized by the number of contacts between protein residues and ligand atoms in multiple distance shells. Compared to published models, the efficacy of OnionNet-2 is demonstrated to be the best for two widely used datasets CASF-2016 and CASF-2013 benchmarks. The OnionNet-2 model was further verified by non-experimental decoy structures from docking program and the CSAR NRC-HiQ data set (a high-quality data set provided by CSAR), which showed great success. Thus, our study provides a simple but efficient scoring function for predicting protein-ligand binding free energy.

Thermally activated delayed fluorescence (TADF) is the internal conversion of triplet excitons into singlet excitons via reverse intersystem crossing. TADF can significantly enhance the efficiency of organic light-emitting diodes (OLEDs). In order for a chromophore to display TADF the energy difference between its lowest singlet and lowest triplet states, S_{1} and T_{1}, should be as small as possible. This requirement is facilitated by spatial separation between the frontier orbitals. Computer simulations based on time-dependent density functional theory (TDDFT) have been used extensively to predict the excited state properties of TADF chromophores. However, the accuracy of TDDFT largely depends on the choice of exchange-correlation functional. Here, we present a benchmark study of the performance of TDDFT based on different classes of hybrid functionals for 16 TADF chromophores consisting of different donor and acceptor moieties. We find that only the range-separated double hybrid functionals, ωB2PLYP and ωB2GP-PLYP, provide qualitatively correct predictions of the relative singlet excitation energies of different molecules, the spectral composition of excited states, and the energy ordering of intramolecular charge-transfer versus valence excited states. Therefore, we recommend using these functionals to assess prospective TADF chromophores. Nevertheless, further development is needed to improve the quantitative performance of TDDFT. These findings are important for our ability to computationally screen and design candidate TADF chromophores and advance the development of highly efficient OLEDs.

Flammulina filiformis, previously known as Asian Flammulina velutipes, is one of the most commercially important edible fungi, with nutritional value and medicinal properties worldwide. However, precision genome editing using CRISPR/Cas9, which is a revolutionary technology and provides a powerful tool for molecular breeding, has not been established in F. filiformis. Here, plasmids harboring expression cassettes of Basidiomycete codon-optimized Cas9 and dual sgRNAs targeting pyrG under the control of the gpd promoter and FfU6 promoter, respectively, were delivered into protoplasts of F. filiformis Dan3 strain through PEG-mediated transformation. The results showed that an efficient native U6 promoter of F. filiformis was identified, and ultimately several pyrG mutants exhibiting 5-fluorooric acid (5-FOA) resistance were obtained. Additionally, diagnostic PCR followed by Sanger sequencing revealed that fragment deletion between the two sgRNA target sites or small insertions and deletions (indels) were introduced in these pyrG mutants through the nonhomologous end joining (NHEJ) pathway, resulting in heritable changes in genomic information. Taken together, this is the first report in which a successful CRISPR/Cas9 genome-editing system based on dual sgRNAs was established in F. filiformis, which broadens the application of this advanced tool in Basidiomycetes.

We explore the topological phase transitions of RbAg _5 Se _3 using first-principles calculations in combination with the maximally localized Wannier function method. Our computations reveal that the type-II Dirac cone in RbAg _5 Se _3 protected by the inversion and time-inversion ( PT ) symmetry in addition to the C _4z rotation symmetry can be regulated to type-III and type-I Dirac points by applying strain along the [001] direction. More interestingly, when the inversion symmetry is lifted by intercalating a Pt atom into the unit cell, sixteen hybrid Weyl points emerge accompanied by the Fermi arcs connecting the adjacent Brillouin zones and surface states on the (010) surface. The type-II Weyl point has the chirality of 1, while the type-I Weyl point has the chirality of −1. Our work suggests that RbAg _5 Se _3 serves as a promising platform for study of topological phases transitions with curious transport phenomena.

Helium (He) is one of the indispensable and rare strategic materials for national defense and high-tech industries. However, daunting challenges have to be overcome for the supply shortage of He resources. Benefitted from the wide pore size distribution, sufficient intrinsic porosity, and high specific surface area, metal–organic framework (MOF) materials are prospective candidates for He purification in the membrane-based separation technology. In this work, through first-principles calculations and molecular dynamics (MD) simulations, we studied the permeability and filtration performance of He by the newly synthesized two-dimensional Fe-PTC MOF and its analogue Ni-PTC MOF. We found that both Fe-PTC and Ni-PTC have superior high performance for He separation. The selectivity of He over N2 was calculated to be ~1017 for Fe-PTC and ~1015 for Ni-PTC, respectively, both higher than most of the previously proposed 2D porous membranes. Meanwhile, high He permeance (10−4~10−3 mol s−1 m−2 Pa−1) can be obtained for the Fe/Ni-PTC MOF for temperatures ranging from 200 to 500 K. Therefore, the present study offers a highly prospective membrane for He separation, which has great potential in industrial application.

Abstract Introducing the synergy effect of magnetic properties and band gap engineering is highly desired for two-dimensional (2D) nanosheets. Here, we prepare metal-free ternary 2D carbon (C) doped boron nitride (BN) nanosheets (BCN) with band gap engineering and magnetic properties by a synergetic way. The substitutional occupation of C atoms, as revealed by X-ray absorption spectrum, in BCN nanosheets induces tunable band gap reduction (5.5 eV to 2.6 eV) and intensive intrinsic ferromagnetism at room temperature. First-principle calculations also reveal that substituted C atoms in BCN nanosheets can broaden the light adsorption region and reduce the optical band gap, and ferromagnetic ordering is energetically more favorable than antiferromagnetic. This design opens up new possibility for synergetic manipulation of exchange interactions and band gap engineering in 2D nanostructures.

Abstract Isotopes separation through quantum sieving effect of membranes is quite promising for industrial applications. For the light hydrogen isotopologues (eg. H2, D2), the confinement of potential wells in porous membranes to isotopologues was commonly regarded to be crucial for highly efficient separation ability. Here, we demonstrate from first-principles that a potential barrier is also favorable for efficient hydrogen isotopologues separation. Taking an already-synthesized two-dimensional carbon nitride (C2N-h2D) as an example, we predict that the competition between quantum tunneling and zero-point-energy (ZPE) effects regulated by the tensile strain leads to high selectivity and permeance. Both kinetic quantum sieving and equilibrium quantum sieving effects are considered. The quantum effects revealed in this work offer a prospective strategy for highly efficient hydrogen isotopologues separation.

Sluggish activity of cathode materials impedes operation of solid oxide fuel cells at low temperatures. Here, the authors report a niobium and tantalum co-doped perovskite cathode exhibiting high electroactivity below 500 °C, and argue that the dopants improve the cathode performance synergistically.

The anisotropic geometric and electronic structures of metal diborides ( M B _2 ) leads to many unusual optical and electronic properties. Here, we present a first-principles study on the low-energy collective electronic excitations and the superconducting performance of the M B _2 ( M = Be, Mg, Al, and Ca). We demonstrate the undamped cosine-like plasmon modes and the sine-like acoustic plasmons in these metal diborides. Interestingly, the energy of the acoustic plasmons shows a positive correlation with the E _2 _g phonon modes which are negatively correlated with the superconducting transition temperature ( T _c ) of the M B _2 materials. Moreover, hole doping can lower the energy of the acoustic plasmons and enhance the T _c of CaB _2 up to 48.2 K. Our work offers a theoretical guidance to regulate the plasmonic properties, as well as a new predictive factor for superconductivity.

To elucidate the mechanisms of fruit body development in H. marmoreus, a total of 43609521 high-quality RNA-seq reads were obtained from four developmental stages, including the mycelial knot (H-M), mycelial pigmentation (H-V), primordium (H-P) and fruiting body (H-F) stages. These reads were assembled to obtain 40568 unigenes with an average length of 1074 bp. A total of 26800 (66.06%) unigenes were annotated and analyzed with the Kyoto Encyclopedia of Genes and Genomes (KEGG), Gene Ontology (GO), and Eukaryotic Orthologous Group (KOG) databases. Differentially expressed genes (DEGs) from the four transcriptomes were analyzed. The KEGG enrichment analysis revealed that the mycelium pigmentation stage was associated with the MAPK, cAMP, and blue light signal transduction pathways. In addition, expression of the two-component system members changed with the transition from H-M to H-V, suggesting that light affected the expression of genes related to fruit body initiation in H. marmoreus. During the transition from H-V to H-P, stress signals associated with MAPK, cAMP and ROS signals might be the most important inducers. Our data suggested that nitrogen starvation might be one of the most important factors in promoting fruit body maturation, and nitrogen metabolism and mTOR signaling pathway were associated with this process. In addition, 30 genes of interest were analyzed by quantitative real-time PCR to verify their expression profiles at the four developmental stages. This study advances our understanding of the molecular mechanism of fruiting body development in H. marmoreus by identifying a wealth of new genes that may play important roles in mushroom morphogenesis.

Extensive ab initio molecular dynamics simulations indicate that hydrogen can be confined in single walled carbon nanotubes to form high density and high pressure H2 molecular lattice, which has peculiar shell and axial structures depending on the density or pressure. The band gap of the confined H2 lattice is sensitive to the pressure. Heating the system at 2000K, the H2 lattice is firstly melted to form H2 molecular liquid, and then some of the H2 molecules dissociate accompanied by drastic molecular and atomic reactions, which have essential effect on the electronic structure of the hydrogen system. The liquid hydrogen system at 2000K is found to be a particular mixed liquid, which consists of H2 molecules, H atoms, and H-H-H trimers. The dissociated H atoms and the trimers in the liquid contribute resonance electron states at the Fermi energy to change the material properties substantially. Rapidly cooling the system from 2000K to 0.01 K, the mixed liquid is frozen to form a mixed solid melt with a clear trend of band gap closure. It indicates that this solid melt may become a superconducting nanowire when it is further compressed.

Ganoderma lucidum is one of the most important medicinal mushrooms; however, molecular genetics research on this species has been limited due to a lack of reliable reverse genetic tools. In this study, the endogenous orotidine 5'-monophosphate decarboxylase gene (URA3) was cloned as a silencing reporter, and four gene-silencing methods using hairpin, sense, antisense, and dual promoter constructs, were introduced into G. lucidum through a simple electroporation procedure. A comparison and evaluation of silencing efficiency demonstrated that all of the four methods differentially suppressed the expression of URA3. Our data unequivocally indicate that the dual promoter silencing vector yields the highest rate of URA3 silencing compared with other vectors (up to 81.9%). To highlight the advantages of the dual promoter system, we constructed a co-silencing system based on the dual promoter method and succeeded in co-silencing URA3 and laccase in G. lucidum. The reduction of the mRNA levels of the two genes were correlated. Thus, the screening efficiency for RNAi knockdown of multiple genes may be improved by the co-silencing of an endogenous reporter gene. The molecular tools developed in this study should facilitate the isolation of genes and the characterization of the functions of multiple genes in this pharmaceutically important species, and these tools should be highly useful for the study of other basidiomycetes.

Li-S batteries are considered as the next-generation batteries due to their exceptional theoretical capacity. However, their practical application is hampered by the shuttling effects of lithium polysulfides (LiPSs) and the sluggish Li2S decomposition, particularly the slow conversion from Li2S2 to Li2S. Addressing these challenges, the quest for effective catalysts that can accelerate the conversion of LiPSs and enhance the performance of Li-S batteries is crucial. In this study, we explored the electrocatalytic activity of two-dimensional phosphorus carbides (β0-PC and β1-PC) in Li-S batteries based on firstprinciples calculations. Our findings reveal that these materials demonstrate optimal binding strengths (ranging from 1.09 to 1.83 eV) with long-chain LiPSs, effectively preventing them from dissolving into the electrolyte. Additionally, they show remarkable catalytic activity during the sulfur redox reaction (SRR), with DG being only 0.37 eV for b0-PC and 0.13 eV for β1-PC. The low energy barrier induced by b-PC enhances ion migration barrier and significantly expedites the charge/discharge cycles of Li-S batteries. Furthermore, we investigated the conversion dynamics of Li2S2 to Li2S, employing the computational lithium electrode (CLE) model. The excellent performance in these aspects underscores the potential of these materials as electrocatalysts for Li-S batteries, paving the way for advanced high-efficiency energy storage solutions. [ABSTRACT FROM AUTHOR]