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Atomically doping in thin film poses a significant challenge due to the potential for dopant precipitation caused by self‐purification effects. This challenge is particularly pronounced in the case of doping monolayers of photoluminescent transition metal dichalcogenides, where high energy barriers are also required to break the in‐plane bonds between the transition metal (TM) and chalcogen atoms. To address this issue, this study introduces hydroxide ions to adsorb onto the surface of WS2 monolayers. This results in a significant reduction in the formation energy of the TM─S bonds, enabling them to substitute for W sites and overcoming the self‐purification effect of WS2 monolayers. The in‐plane doping of TMs including Cr, Mn, Fe, Co, and Ni atoms is confirmed through precise atomic‐scale chemical imaging using scanning transmission electron microscopy with electron energy loss spectroscopy mapping. Photoluminescence measurements reveal that the band structure of WS2 monolayers can be systematically modulated by different doping metals, owing to their distinct atomic sizes. In addition, the atomically‐doped WS2 monolayers exhibit room‐temperature ferromagnetism, which has never been seen in pristine WS2 monolayers. The modulation of the band structure and the emergence of magnetism in TMs‐doped WS2 monolayers hold significant promise for optoelectronic and magnetoelectric applications. [ABSTRACT FROM AUTHOR]

This article discusses the role of circular RNAs (circRNAs) in driving mixed lineage leukemia (MLL) chromosomal translocations in acute myeloid leukemia (AML). CircRNAs, a subclass of non-coding RNA transcripts, have been found to bind to DNA and impact various cellular processes, including oncogenesis. The discovery of circMLL(9,10) in pediatric leukemia patients has shed light on the molecular basis of MLL mutations and offers potential for transforming clinical practice in leukemia and other cancers. The article explores the implications and future prospects of circRNAs, including their potential use as biomarkers for early diagnosis, prognostic indicators, personalized therapeutic targets, and as vehicles for delivering therapeutic proteins. The integration of circRNAs into clinical practice could revolutionize disease management and improve outcomes for patients. [Extracted from the article]

Searching for an appropriate anode material with desirable electrochemical performance is crucial in the development of metal ion batteries. In this work, based on the extensive first‐principles computations, we have systemically assessed the potential of an emerging PN2 monolayer as an anode material for lithium (LIBs), sodium (NIBs) and potassium (KIBs) ion batteries. The PN2 monolayer possesses excellent thermal, dynamical and mechanical stability, and it is half‐metallic with two energy bands crossing over the Fermi level in the spin‐down channel. Moreover, the diffusion barriers of Li, Na and K atoms on the PN2 are as low as 0.11, 0.09 and 0.05 eV, showing a high ionic mobility. The storage capacities of PN2 anode are predicted to be 2725.53, 1413.24, and 908.51 mAh/g for LIBs, NIBs and KIBs. Importantly, the PN2 anode exhibits strong affinity towards metal atoms and negligible structural distortion during the whole intercalation process, which is of importance to improve the cyclability and prevent the metallic dendrite formation. All the encouraging findings demonstrate that the PN2 anode holds great promise in the high‐performance metal ion battery application. [ABSTRACT FROM AUTHOR]

2D boron nitride shows great promise in the photoelectric device, deep UV emitter and field effect transistor with good thermal stability, high mechanical robustness and chemical inertness; nonetheless, its inherently low electrical conductivity and small pore size have severely hindered the electrochemical kinetics and lead to a poor rate capability. Herein, we design a novel porous 3D−B2N2 structure by assembling the orthorhombic B2N2 monolayer into t‐C24 lattice and assesse its feasibility as the anode material of sodium(SIBs)/potassium(PIBs) ion batteries. The ab initio molecular dynamics (AIMD) simulation, Born‐Huang criteria, phonon spectrum and cohesive energy calculations confirms that the resulting 3D−B2N2 possesses excellent mechanical, thermal and dynamical stability. Different from the pristine h‐B2N2, an improved electrical conductivity is observed for 3D−B2N2 with a small band gap of 0.66 eV. Moreover, the low mass density, unique porous structure and strong adsorption energy make the 3D−B2N2 an outstanding electrode material for SIBs/PIBs with high storage capacities of 599.90 (479.92) mA h/g, low averaged open circuit voltages of 0.13 (0.27) V, low diffusion barriers of 0.04 (0.008) eV, and small volume expansions of 0.96 % (2.63 %). All the encouraging findings reveal that the 3D−B2N2 anode deserves further experimental investigation for SIBs/PIBs. [ABSTRACT FROM AUTHOR]

The fictive temperature (Tf) is widely applied to understand the relaxation thermodynamics of a glass; however, its atomic structural origin is still unclear. Here, we report two novel AZnP3O9 glasses obtained by melting the composition identical single crystals. These glasses exhibit structural inheritance within 5 Å from the single crystal counterparts that is quantified by δ=nglass/ncry (0≤δ≤1, n is the number of pair correlation functions). Among the available glass‐formers, glassKZnP3O9 exhibits the highest structural inheritance (δ=1, nglass=8). More insightfully, a reverse correlation between δ and the relaxation thermodynamic parameters is observed in glassAZnP3O9, revealing for the first time the atomic structural origin of fictive temperature. [ABSTRACT FROM AUTHOR]

The fictive temperature (Tf) is widely applied to understand the relaxation thermodynamics of a glass; however, its atomic structural origin is still unclear. Here, we report two novel AZnP3O9 glasses obtained by melting the composition identical single crystals. These glasses exhibit structural inheritance within 5 Å from the single crystal counterparts that is quantified by δ=nglass/ncry (0≤δ≤1, n is the number of pair correlation functions). Among the available glass‐formers, glassKZnP3O9 exhibits the highest structural inheritance (δ=1, nglass=8). More insightfully, a reverse correlation between δ and the relaxation thermodynamic parameters is observed in glassAZnP3O9, revealing for the first time the atomic structural origin of fictive temperature. [ABSTRACT FROM AUTHOR]

In this work, a general spherical harmonics method for the extraction of anisotropic pair distribution functions (PDFs) is described. In the structural study of functional crystallized materials, there is an urgent need for investigation of local structures under the application of external stimuli, such as an electric field and stress. A well established technique for local structural studies is PDF analysis, but the extraction of X‐ray PDF data is usually based on angular integrations of isotropic X‐ray structure functions, which is no longer valid for the anisotropic responses of materials under orientation‐dependent stimuli. Therefore, an advanced spherical harmonics method has been developed, to transform 2D X‐ray total‐scattering data into anisotropic PDF data on the basis of the 3D diffraction geometry and a Fourier transform. The electric‐field‐induced local structural change in PbZr0.54Ti0.46O3 ceramics is presented to demonstrate the effectiveness of this method. [ABSTRACT FROM AUTHOR]

The introduction of trace elements into hydroxyapatite (HA) coatings has been widely used for antimicrobial and biocompatible modification of metal implants. In this study, a multifunctional coating of HA co‐doped with Cu2+, Zn2+, Sr2+ and F− (CuZnSrFHA) was synthesized on titanium substrate by one‐step electrodeposition technology. The CuZnSrFHA consisted of nanoscale needle‐like crystals with low roughness and poor hydrophilicity. However, it can continuously release Cu2+, Zn2+ and Sr2+ within 14 days while maintaining good physiological stability. Based on the synergistic effect of Cu and Zn, the CuZnSrFHA coating showed some inhibitory effect on E. coli and S. aureus. Furthermore, the CuZnSrFHA was not significantly cytotoxic and promoted early adhesion and alkaline phosphatase activity of osteoblasts. In conclusion, the multi‐element co‐doped CuZnSrFHA coating was expected to be a novel surface modification material for the prevention of infectious bone defects. [ABSTRACT FROM AUTHOR]

Currently, there is a growing market for implant coatings that efficiently ward off bacterial infections while aiding in clinical osseointegration. Due to its potential to have a number of functions (including osteogenic activity and antibacterial activity) for bone implantation, the hydroxyapatite (HA) coating doped with multiple ions has drawn a lot of attention. In this study, innovative nanohydroxyapatite coatings containing simultaneous Sr2+, Mn2+, and Ag+ substitutions (MnSrAgHA) were devised and effectively electrodedeposited on pure titanium. That is, the antibacterial ability of MnSrAgHA was enhanced by Ag+, Sr2+ and Mn2+ not only can balance the potential cytotoxicity of Ag+, but also can improve the bone repair rate of composite materials. Some experimental (FE‐SEM, XPS and EDS, etc.) results about the characterization show that Sr2+, Mn2+ and Ag+ can uniformly combine into the HA lattice to form the SrMnAgHA coating. The MnSrAgHA coating surface was rather dense, with numerous needle‐like or flower cluster crystals, and the coating thickness is approximately 10 μm. Moreover, compared with other coatings (HA, AgHA and SrAgHA), the MnSrAgHA coating had a smaller roughness and higher contact angle. However, the contact angle of MnSrAgHA was still within the hydrophilic range. Staphylococcus aureus growth was inhibited by the MnSrAgHA coating, and the antibacterial rate was almost 100 %. The MnSrAgHA coating dramatically enhanced cell proliferation, adhesion, and differentiation abilities, according to in‐vitro cell culture studies. As expected, osteoblasts are not significantly cytotoxic by the MnSrAgHA coating. Due to its adaptability, the multi‐element co‐doped HA coating (MnSrAgHA) offers enormous clinical application potential in anti‐infective repair. [ABSTRACT FROM AUTHOR]

Living organisms are imparted with compact intelligence in which a myriad of functionalities are delivered by highly integrated and demodularized subunits, as in the case of the mammalian skin in which different embedding stimuli‐receptors and follicles work together to provide rich sensation for temperature and tactility, as well as the visible and regulatory response of hair erection via the arrector pili muscle. A breakthrough in robotics is to create similar intelligence using emerging stimuli‐responsive materials. Here, a thin film composite comprising a transition metal oxide/hydroxide layer for sensation and high‐performing actuation under environmental stimuli including visible light, humidity, and temperature, and a graphene‐based layer for feedback strain sensing, is developed to demonstrate such an approach of robotics. The system is used to construct robotic hair that mimics well mammalian hair in functionality, and devices for sensing objects for their effective manipulation. This research opens a "material intelligence" approach for robotics. [ABSTRACT FROM AUTHOR]

Objective: We conducted a retrospective case–control study to investigate the risk factors for osteonecrosis of the femoral head (ONFH) in rheumatoid arthritis (RA) patients. Methods: The clinical data of patients diagnosed with RA at Fujian Provincial Hospital from January 2013 to December 2020 were retrospectively collected and evaluated. Twenty‐two patients with ONFH were identified. Eighty‐eight age‐, sex‐, and disease duration‐matched RA patients without symptomatic ONFH were randomly selected as controls in a ratio of 1:4. Logistic regression analysis was used to analyze the risk factors. Results: The anticardiolipin (ACL)‐immunoglobulin G (IgG) concentration, clinical disease activity index, simplified disease activity index, incidence of hyperlipidemia in the case group were higher than those in the control group. Multivariate logistic regression analysis did not find the independent risk factor in ONFH patients with RA. Conclusion: The pathogenesis of ONFH in RA is related to many factors such as ACL IgG, disease activity index, and hyperlipidemia. While, we went to great lengths to explore the relationship between antiphospholipid antibodies and ONFH, but it plays a very small role. [ABSTRACT FROM AUTHOR]

Integrating photonics and electronics into a single chip with a variety of capabilities is attracting particular interest for achieving high‐density and high‐speed multifunctional smart optoelectronic systems. However, it remains challenging to realize this goal because of the difficulty of merging various areas of science and technology. A smart responsive integrated photoelectric organic modulator is created here, which can not only possess emission wavelength switching tunability in response to light and heat but also show good optical amplification performance and field‐effect transistor properties. By applying external stimuli on the resulting smart responsive system based on the judicious combination of conjugated polymers and photochromic molecules can enable efficient and reversible tuning of light emission between red and yellow via a controllable way through effective manipulation of energy transfer channels induced by optical and thermal stimuli. More importantly, stimuli‐responsive emission, optical amplification, and efficient carrier transport can be simultaneously integrated in a single device with optical and electrical performance comparable to those of stand‐alone devices. The results suggest an effective way to create smart integration of photonic and electronic elements in a chip with multifunctional optoelectronic characteristics for various applications such as integrated photonics, electronics, optoelectronics, and smart sensing. [ABSTRACT FROM AUTHOR]

In response to stricter emission regulations, lean‐burn engines have attracted more and more attention. However, lean burn engines would inevitably lead to the increase in NOx emissions. The researchers combined Three‐Way Catalyst (TWC) and Selective Catalytic Reduction (SCR) to propose "passive SCR", which makes the engine periodically switch between rich and lean burn. During rich combustion, ammonia is produced by the TWC catalyst, stored in the downstream SCR, and reacts with NOx during lean combustion, in which increasing the ammonia yield on the TWC catalyst is the key. In this study, the self‐propagating high‐temperature synthesis method was used to modify the catalyst by adding copper to improve the ammonia production efficiency. The conversion rate of catalysts with different copper doping ratios from NO to ammonia was measured. Through XRD, BET, H2‐TPR, TEM, HRTEM, XPS, in‐situ DRIFTS, etc. the improvement mechanism of copper doping was analysed. The results showed that Pt0.01Cu0.1Ce0.45Zr0.45Ox had the highest catalytic activity, the widest reaction temperature window (300–550 °C) with the conversion greater than 96 %. The characterization results showed that appropriate amount of copper doping can adjust the valence distribution, form more oxygen vacancies, and improve the distribution of active species. The in‐situ DRIFTS further demonstrated that the conversion from bridged to monodentate and bidentate nitrate may be the key factors on the catalyst surface. [ABSTRACT FROM AUTHOR]

A metal-free multi-component sulfur dioxide insertion reaction of alkynes, sodium metabisulfite, aryldiazonium, and quinoxalin-2-ones has been developed under visible-light photoredox-catalysis. This photocatalytic tandem reaction would be conducted at room temperature by using of Rhodamine 6G as organic photocatalyst and sodium metabisulfite as the SO2 surrogate. This protocol provides a synthetic strategy for the construction of various quinoxalin-2-one-containing vinyl sulfones with favourable functional group tolerance, in which one C-C bond and two C-S bonds were constructed in one pot procedure. [ABSTRACT FROM AUTHOR]

Textiles and apparel archaeology is an indispensable part of history and archaeology. As most unearthed textile relics are silk, soft and multi‐layered in nature, their frangibility poses enormous difficulties in their transportation, storage and exhibition. Traditional methods may not be suitable for accurately monitoring their condition under various external situations, due to the particularity of the textile relics. Herein, a smart, flexible, fabric‐based monitoring system, which integrates sensing fibers, textile technology, and traditional silkscreen conservation, is developed for the preservation and conservation of textile relics. The proposed integrated electrochemical fabric bears a high level of flexibility and diversification in structure, and furthermore can act as a protective cover to monitor external environmental impact factors such as pH value, strain, humidity, temperature, and ultraviolet light. The newly developed system can act as a daily monitoring solution to achieve real‐time and prolonged preventative control from various mechanisms of degradation, so as to ultimately support and uphold the conversation and preservation of textile relics. [ABSTRACT FROM AUTHOR]

The coronavirus disease 2019 has infected over 150 million people worldwide and led to over 3 million deaths. Severe acute respiratory syndrome (SARS)‐CoV‐2 lineages B.1.1.7, B.1.617, B.1.351, and P.1 were reported to have higher infection rates than that of wild one. These mutations were noticed to happen in the receptor‐binding domain of spike protein (S‐RBD), especially mutations N501Y, E484Q, E484K, K417N, K417T, and L452R. Currently, there is still no specific medicine against the virus; moreover, cytokine storm is also a dangerous factor for severe infected patients. In this study, potential S‐RBD‐targeted active monomers from traditional Chinese medicine Ephedra sinica Stapf (ephedra) were discovered by virtual screening. NanoBiT assay was performed to confirm blocking activities of the screened compounds against the interaction between SARS‐CoV‐2 S‐RBD and angiotensin‐converting enzyme 2 (ACE2). We further analyzed the blocking effect of the active compounds on the interactions of mutated S‐RBD and ACE2 by computational studies. Moreover, antiinflammatory activities were evaluated using qRT‐PCR, enzyme‐linked immune sorbent assay, and Western blot analysis. As a result, pseudoephedrine (MHJ‐17) and its derivative (MHJ‐11) were found as efficient inhibitors disrupting the interactions between ACE2 and both wild and mutated S‐RBDs. In addition, they also have antiinflammatory activities, which can be potential drug candidates or lead compounds for further study. [ABSTRACT FROM AUTHOR]

Dysregulation of lipid metabolism could lead to the development of metabolic disorders. We report here that the F-box protein JFK promotes excessive lipid accumulation in adipose tissue and contributes to the development of metabolic syndrome. JFK transgenic mice develop spontaneous obesity, accompanied by dyslipidemia, hyperglycemia, and insulin resistance, phenotypes that are further exacerbated under high-fat diets. In contrast, Jfk knockout mice are lean and resistant to diet-induced metabolic malfunctions. Liver-specific reconstitution of JFK expression in Jfk knockout mice leads to hepatic lipid accumulation resembling human hepatic steatosis and nonalcoholic fatty liver disease. We show that JFK interacts with and destabilizes ING5 through assembly of the SCF complex. Integrative transcriptomic and genomic analysis reveals that the SCFJFK-ING5 axis interferes with AMPK activity and fatty acid ß-oxidation, leading to the suppression of hepatic lipid catabolism. Significantly, JFK is upregulated and AMPKa1 is down-regulated in liver tissues from NAFLD patients. These results reveal that SCFJFK is a bona fide E3 ligase for ING5 and link the SCFJFK-ING5 axis to the development of obesity and metabolic syndrome. [ABSTRACT FROM AUTHOR]

Frequency‐upconverted fluorescence and stimulated emission induced by multiphoton absorption (MPA) have attracted much interest. As compared with low‐order MPA processes, the construction of high‐order MPA processes is highly desirable and rather attractive, yet remains a formidable challenge due to its inherent low transition probability. We report the observation of the first experimental frequency‐upconverted fluorescence and stimulated emission by simultaneous six‐photon excitation in an organic molecular system. The well‐designed organic conjugated system based on cross‐shaped spiro‐fused ladder‐type oligo(p‐phenylene)s (SpL−z, z=1–3) manifests reasonably high MPA cross‐sections and brilliant luminescence emission simultaneously. The six‐photon absorption cross‐section of SpL‐3 with an extended π‐conjugation was evaluated as 8.67×10−169 cm12 s5 photon−5. Exceptionally efficient 2‐ to 6‐photon excited stimulated emission was achieved under near‐infrared laser excitation. [ABSTRACT FROM AUTHOR]

Frequency‐upconverted fluorescence and stimulated emission induced by multiphoton absorption (MPA) have attracted much interest. As compared with low‐order MPA processes, the construction of high‐order MPA processes is highly desirable and rather attractive, yet remains a formidable challenge due to its inherent low transition probability. We report the observation of the first experimental frequency‐upconverted fluorescence and stimulated emission by simultaneous six‐photon excitation in an organic molecular system. The well‐designed organic conjugated system based on cross‐shaped spiro‐fused ladder‐type oligo(p‐phenylene)s (SpL−z, z=1–3) manifests reasonably high MPA cross‐sections and brilliant luminescence emission simultaneously. The six‐photon absorption cross‐section of SpL‐3 with an extended π‐conjugation was evaluated as 8.67×10−169 cm12 s5 photon−5. Exceptionally efficient 2‐ to 6‐photon excited stimulated emission was achieved under near‐infrared laser excitation. [ABSTRACT FROM AUTHOR]

LiCoO2 is used as a cathode material for lithium‐ion batteries, however, cationic/anodic‐redox‐induced unstable phase transitions, oxygen escape, and side reactions with electrolytes always occur when charging LiCoO2 to voltages higher than 4.35 V, resulting in severe capacity fade. Reported here is Mg‐pillared LiCoO2. Dopant Mg ions, serving as pillars in the Li‐slab of LiCoO2, prevent slab sliding in a delithiated state, thereby suppressing unfavorable phase transitions. Moreover, the resulting Li‐Mg mixing structure at the surface of Mg‐pillared LiCoO2 is beneficial for eliminating the cathode‐electrolyte interphase overgrowth and phase transformation in the close‐to‐surface region. Mg‐pillared LiCoO2 exhibits a high capacity of 204 mAh g−1 at 0.2 C and an enhanced capacity retention of 84 % at 1.0 C over 100 cycles within the voltage window of 3.0–4.6 V. In contrast, pristine LiCoO2 has a capacity retention of 14 % within the same voltage window. [ABSTRACT FROM AUTHOR]

LiCoO2 is used as a cathode material for lithium‐ion batteries, however, cationic/anodic‐redox‐induced unstable phase transitions, oxygen escape, and side reactions with electrolytes always occur when charging LiCoO2 to voltages higher than 4.35 V, resulting in severe capacity fade. Reported here is Mg‐pillared LiCoO2. Dopant Mg ions, serving as pillars in the Li‐slab of LiCoO2, prevent slab sliding in a delithiated state, thereby suppressing unfavorable phase transitions. Moreover, the resulting Li‐Mg mixing structure at the surface of Mg‐pillared LiCoO2 is beneficial for eliminating the cathode‐electrolyte interphase overgrowth and phase transformation in the close‐to‐surface region. Mg‐pillared LiCoO2 exhibits a high capacity of 204 mAh g−1 at 0.2 C and an enhanced capacity retention of 84 % at 1.0 C over 100 cycles within the voltage window of 3.0–4.6 V. In contrast, pristine LiCoO2 has a capacity retention of 14 % within the same voltage window. [ABSTRACT FROM AUTHOR]

Summary: Marine flavobacteria are specialists for polysaccharide degradation. They dominate in habitats enriched with polysaccharides, but are also prevalent in pelagic environments where polysaccharides are less available. These niches are likely occupied by distinct lineages, but evolutionary processes underlying their niche differentiation remain elusive. Here, genomic analyses and physiological assays indicate that the sister flavobacteria lineages Leeuwenhoekiella and Nonlabens likely explore polysaccharide‐rich macroalgae and polysaccharide‐poor pelagic niches respectively. Phylogenomic analyses inferred that the niche separation likely occurred anciently and coincided with increased sequence evolutionary rate in Nonlabens compared with Leeuwenhoekiella. Further analyses ruled out the known mechanisms likely driving evolutionary rate acceleration, including reduced selection efficiency, decreased generation time and increased mutation rate. In particular, the mutation rates were determined using an unbiased experimental method, which measures the present‐day populations and may not reflect ancestral populations. These data collectively lead to a new hypothesis that an ancestral and transient mutation rate increase resulted in evolutionary rate increase in Nonlabens. This hypothesis was supported by inferring that gains and losses of genes involved in SOS response, a mechanism known to drive transiently increased mutation rate, coincided with evolutionary rate acceleration. Our analyses highlight the evolutionary mechanisms underlying niche differentiation of flavobacteria lineages. [ABSTRACT FROM AUTHOR]

A set of fluorene‐capped pendant conjugated molecules (T‐m and T‐p), which consist of a triazine center with three carbazole substituents as the donor–acceptor (D‐A) type pendant structure, were designed, synthesized, and investigated as gain media for organic semiconductor lasers (OSLs). In particular, varying the capping positions of the fluorene units on the pendant core structures results in significantly different intramolecular charge transfer (ICT) properties, where T‐m manifested depressed ICT characteristic and high fluorescence quantum yield. The lowest amplified spontaneous emission (ASE) threshold in neat films was recorded as 1.9 μJ cm−2 for T‐m and 83.8 μJ cm−2 for T‐p, which indicated that the depressed ICT characteristics in the case of T‐m help to enhance the ASE properties. Remarkably, the ASE threshold remained almost unchanged and the ASE spectra showed very small shifts (within 1 nm) for T‐m with film samples annealed up to 180 °C in open air. In contrast, its linear counterpart 2FEtCz‐m showed a clearly increased ASE threshold upon annealing above 100 °C. The results suggest that the selective construction of conjugated pendant molecules with depressed ICT characteristics is beneficial for finely modulating the optical and electrical properties as well as improving the thermostability and photostability, which manifests the great potential as a robust gain media for OSLs. [ABSTRACT FROM AUTHOR]

With increasing demand of high‐temperature piezoelectric devices and growing concern over environment protection, a feasible reduction in lead from lead‐based high Curie temperature piezoelectric materials are desperately needed. Herein, a new system of lead‐reduced Bi(Ni2/3Ta1/3)O3‐PbTiO3 (BNT‐PT) ferroelectric ceramics is fabricated by a conventional solid‐state sintering process. The phase transition behaviors as a function of composition and temperature, electrical properties, as well as the domain configurations from a microscopic level have been investigated in detail. The results indicate that crystal structures, phase transition behaviors, and electric properties of BNT‐PT ceramics can be affected significantly by the content of BNT counterpart. Dielectric measurements show that xBNT‐(1−x)PT ceramics transfer from the normal ferroelectrics to the relaxor ferroelectrics at compositions of x = 0.3‐0.35. The BNT‐PT ceramics exhibit high Curie temperature TC ranging from 474 to 185°C with the variation in BNT content. The relative dielectric tunability nr also rises from only 0.65% for 0.10BNT‐0.90PT to 50.23% for 0.40BNT‐0.60PT with increasing BNT content. The tetragonal‐rich composition 0.30BNT‐0.70PT ceramic possesses the maximum remnant polarization of Pr ~ 34.9 μC/cm2. Meanwhile, a highest piezoelectric coefficient of d33 ~ 271 pC/N and a high field piezoelectric strain coefficient of d33∗ ~ 560 pm/V are achieved at morphotropic phase boundary (MPB) composition of 0.38BNT‐0.62PT. The maximum value of strain ~0.31% is obtained in the 0.36BNT‐0.64PT ceramic. The largest electromechanical coupling coefficient kp is 44.5% for 0.37BNT‐0.63PT ceramic. These findings demonstrate that BNT‐PT ceramics are a system of high‐performance Pb‐reduced ferro/piezoelectrics, which will be very promising materials for piezoelectric devices. This study offers an approach to developing and exploring new lead‐reduced ferroelectric ceramics with high performances. The relationships between crystal structures, microscopic domains and macroscopic properties of BNT‐PT ceramics were comprehensively investigated. [ABSTRACT FROM AUTHOR]

The structural diversity and tenability observed in POMs has encouraged extensive investigations into their catalytic activity. Based on the structural classification of POMs, this review summarizes recent advances relating to POM-catalyzed selective oxidation and places most emphasis on dynamic developments from 2015 onwards. Work which contributes to comparing the catalytic performance of POMs with delicate structural differences (e.g. the same type of POM structure with differences of the heteroatom, addenda, protonated state or counter-ion) and in elucidating the origin/distinction of catalytic activity, as well as reasonable mechanisms, are especially highlighted. [ABSTRACT FROM AUTHOR]

2D halide perovskite materials have shown great advantages in terms of stability when applied in a photovoltaic device. However, the impediment of charge transport within the layered structure drags down the device performance. Here for the first time, a 3D-2D (MAPbI3-PEA2Pb2I4) graded perovskite interface is demonstrated with synergistic advantages. In addition to the significantly improved ambient stability, this graded combination modifies the interface energy level in such a way that reduces interface charge recombination, leading to an ultrahigh Voc at 1.17 V, a record for NiO-based p-i-n photovoltaic devices. Moreover, benefiting from the graded structure induced continuously upshifts energy level, the photovoltaic device attains a high Jsc of 21.80 mA cm−2 and a high fill factor of 0.78, resulting in an overall power conversion efficiency (PCE) of 19.89%. More importantly, it is showed that such a graded interface structure also suppresses ion migration in the device, accounting for its significantly enhanced thermal stability. [ABSTRACT FROM AUTHOR]

Antimicrobial peptoids (ampetoids) have been established as a new and attractive class of antibiotic agent to combat bacterial infections with high bioavailability, strong metabolic stability, and low in vivo toxicity. Here, we reported successful design of short ampetoids by integrating chemometrics/cheminformatics techniques and in vitro susceptibility test. In the procedure, a novel panel of natural and N-substituted amino acid descriptors was derived by principal component analysis of hundreds of constitutional, topological, geometrical, and physicochemical properties, which was then used to characterize and model the statistical regression relationship between the structural feature and antibacterial activity of known antimicrobial peptides. The resulting best quantitative structure-activity relationship predictor confirmed by Monte Carlo cross validation was employed to perform high-throughput virtual screening against a combinatorial ampeptod library, from which five ampeptod candidates were identified and their antibacterial potencies against two clinical bacterial strains, that is, Staphylococcus aureus ATCC33591 and Pseudomonas aeruginosa ATCC27853, were measured using a standard microtiter broth dilution method. Consequently, three ampeptoids (IK- Nssb- NLys-VRK- Nssb-NH2, KYW- NHis-N- Nspe-RLR-NH2, and NLys-L- NLys-W- Nsmb-IKRW-NH2) were found to have high antibacterial activity with minimum inhibitory concentration <30 µg/lm against the two strains. Molecular dynamics simulations revealed that two of the three potent ampeptoids can fold into a typical amphipathic helix that allows them to interact directly with and then destruct microbial membranes, while another is unstructured in water environment and possesses a hybrid sequence pattern mixing with hydrophobic and hydrophilic residues. Copyright © 2016 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

High photovoltaic efficiency is a key index in the application of silicon (Si) solar cells. In this study, a composite of a photovoltaic Si p-n junction solar cell and a magnetostrictive Tb xDy1− xFe2 alloy was fabricated. By utilizing the magnetostrictive strain to modulate the energy bandgap of Si, the open-circuit voltage and the maximum photovoltaic output power of the Si p-n junction solar cell could be enhanced by ∼12% and 9.1% under a dc magnetic field of ∼250 mT, respectively. The significantly enhanced photovoltaic performance and the simple fabrication process make the Si-p-n/Tb xDy1− xFe2 composite a promising material for high-efficiency solar cell devices. The structure of the proposed Si-p-n/Tb xDy1− xFe2 laminated composite. [ABSTRACT FROM AUTHOR]

The multiferroic Pb(Fe1/2V1/2)O3 (PFV) bulk ceramic was fabricated by a conventional ceramic sintering method. The strong visible-light photovoltaic effect in Sn-doped-In2O3(ITO)/PFV/ITO structure capacitor was observed. The open-circuit voltage was up to ∼0.7 V, which was much higher than the value (∼0.3 V) in BiFeO3 film. The photo-excited electric current is almost proportional to the incident light illumination intensity. The good visible-light photovoltaic makes PFV ceramic a potential candidate for practical application in solar cell devices. [ABSTRACT FROM AUTHOR]

interactions and properties of octahydro-1,3,5,7-tetranitro-1,3,5,7- tetrazocine (HMX) / 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) cocrystal were studied by using the dispersion-corrected density functionals (ωB97XD, B97D) and meta-hybrid functional (M062x) methods. Binding energies, heats of formation, thermodynamic properties, atoms in molecules, and natural bond orbital analysis were performed to investigate HMX/LLM-105 complexes. Results show that the main interactions between HMX and LLM-105 are CH...O, NH...O, N...O, and O...O interactions. In addition, Monte Carlo simulation was employed to predict the crystal structure of HMX/LLM-105 cocrystal. The HMX/LLM-105 cocrystal is most likely to crystallize in C2/c space group, and its corresponding cell parameters are Z = 8, a = 41.63 Å, b = 6.77 Å, c = 45.63 Å, ß = 164.55°, and ρ = 1.99 g/cm3. Detonation velocity and pressure of HMX/LLM-105 cocrystal are 8.95 km/s, 37.69GPa, a little lower than those of HMX (9.10 km/s, 37.76GPa). However, according to the net charges of nitro group, HMX/LLM-105 cocrystal exhibits less sensitive than HMX. Finally, bond dissociation energy calculation shows that HMX/LLM-105 complexes are thermally stable. Considering , sensitivity, and detonation performance, HMX/LLM-105 cocrystal meets the requirements of insensitive high energy density materials. Copyright © 2013 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Gas-phase heats of formation (HOF), solid-phase HOF, detonation properties, electronic structure and thermal stability for a series of polynitro pyrazine derivatives containing three heterocycles have been investigated using density functional theory. It is found that the nitro group is an efficient tool to improve HOF of pyrazine derivatives. Furthermore, detonation velocities and detonation pressures of these compounds are evaluated using empirical Kamlet-Jacobs equations. As a result, it indicates that the nitro group is useful to enhance detonation properties. Detonation velocities of five compounds are 9.67, 9.20, 9.74, 9.76 and 9.87 km/s, respectively, which are significantly larger than that of HMX (9.10 km/s). Bond dissociation energy is also performed to investigate their thermal stability, showing that thermal stability of these compounds is little affected by nitro groups or the position of substituent groups. Considering solid-phase HOF, detonation properties and thermal stability, some of pyrazine derivatives can be potential high energy density materials. Copyright © 2013 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Graphene is considered as a rising-star material because of its unique properties and it is a promising material for applications in many fields. In recent years, experiments on graphene fabricated by using versatile methods have shed light on the crucial problem of aggregation and restacking, which is induced by strong π-π stacking and van der Waals forces, but preparation methods for real-world applications are still a great challenge. Here we report a facile, rapid, and environmentally friendly process, the burn-quench method, that allows large-scale and controlled synthesis of ordered mesoporous nanographene with 1-5 layers, which has a high surface area and electric conductivity. Electrodes composed of nanographene with a mesoporous architecture used both in electrochemical capacitors and lithium-ion batteries have a high specific capacitance, rate capability, energy density, and cyclic stability. Our results represent an important step toward large-scale graphene synthesis based on this new burn-quench method for applications in high-performance electrochemical energy storage devices. [ABSTRACT FROM AUTHOR]

Previous studies have shown that the design of cocrystal explosives is one of the most promising approaches to decrease the sensitivity and maintain the detonation performance of existing explosives. As is well-known, octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) is a high energy density material (HEDM). But the application of HMX is limited, due to its high sensitivity. Thus, an insensitive explosive 5-nitro-1,2,4-triazol-3-one (NTO) is proposed as a cocrystal former (CCF) to cocrystallize with HMX in the present work. The binding energies, heat of formations (HOFs), thermodynamic properties, atoms in molecules, and natural bond orbital analysis of four HMX/NTO complexes have been calculated using density functional theory methods, including meta-hybrid functional (M062X) and dispersion-corrected density functionals (B97D, ωB97XD). In addition, the crystal structure of HMX/NTO cocrystal has been investigated using Monte Carlo simulation and first principles methods. The HMX/NTO cocrystal is most likely to crystallize in triclinic crystal system with P 1 space group, and corresponding cell parameters are Z = 2, a = 9.06 Å, b = 8.19 Å, c = 10.27 Å, α = 81.94°, β = 98.42°, γ = 82.03°, and ρ = 1.92 g/cm3. The detonation velocity and detonation pressure of HMX/NTO cocrystal are 8.73 km/s and 35.14 GPa, respectively, a little lower than those of HMX. Finally, bond dissociation energies (BDEs) of the weakest trigger bond in HMX/NTO complexes are calculated. The results show that HMX/NTO complexes are thermally stable and meet the thermal requirement of HEDMs (BDE > 120 kJ/mol). © 2012 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]

In this study, a single-stage pickup with zero-voltage turn-on to reduce the switching loss is proposed for parallel resonant compensated contactless power transmission systems (CPTS). A bidirectional switch composed of two back-to-back connected active switches is integrated to regulate the output voltage. The relationship between the output voltage and the duty ratio of the bidirectional switch is derived and verified. To evaluate the validity and performance of the proposed pickup circuit, a 500 W prototype CPTS is constructed. The experimental results show that the power conversion efficiency of the proposed pickup is about 95%. Moreover, compared with common two-stage pickup, the number of required passive components in the proposed topology is reduced. The resulted volume of proposed pickup is also reduced which is more suitable for space-limited applications. [ABSTRACT FROM AUTHOR]

Banish the villains to their own realm: Biomass has gained widespread attention as a renewable energy source. However, commercial catalysts used in power plants (co‐)fuelled by biomass are deactivated by the alkali‐rich flue gas (see graph, black line). In contrast, one of two types of active sites in a promising alkali‐resistant hollandite catalyst traps alkali‐metal ions to free up the catalytically active sites for the reduction of NO by NH3. [ABSTRACT FROM AUTHOR]

Aufopferungsvoll: Kommerzielle Katalysatoren, wie sie in Biomassekraftwerken eingesetzt werden, werden durch das alkalireiche Verbrennungsgas desaktiviert (siehe Diagramm, schwarze Linie). Ein alkaliresistenter Hollandit ‐ Katalysator wird beschrieben, bei dem eines der beiden aktiven Zentren Alkalimetallionen bindet und so das zweite, katalytisch aktive Zentrum für die Reduktion von NO durch NH3 freihält. [ABSTRACT FROM AUTHOR]

BACKGROUND: The carmine spider mite (CSM), Tetranychus cinnabarinus, is the most harmful mite pest of various crops and vegetable plants. Pyrethroid insecticide fenpropathrin has been used to control insects and mites worldwide, but CSM has developed resistance to this compound. RESULTS: Three synergists together eliminated about 50% resistance against fenpropathrin in the CSM. A point mutation was identified from the sodium channel gene of fenpropathrin-resistantCSM (FeR) by comparing cDNA sequences between FeR and susceptible (S) sodium channel genes, which caused a phenylalanine (F) to isoleucine (I) change at amino acid 1538 position in IIIS6 of the sodium channel and has been proven to confer strong resistance to pyrethroid in other species. The mRNA expression of the sodium channel gene in the FeR and abamectin-resistant strain (AbR), which was included as a control, were both relatively lower than in the S. CONCLUSION: These results demonstrate that a mutation (F1538I) is present in the sodium channel gene in FeR of CSM, likely playing an important role in fenpropathrin resistance in T. cinnabarinus, but that decrease in the abundance of sodium channel did not confer this resistance. The F1538I mutation couldbe used as a molecularmarker for detecting kdrresistance in Arachnida populations. [ABSTRACT FROM AUTHOR]

A new two‐phase route was developed to prepare monodisperse cadmium sulfide (CdS) quantum dots (QDs) with a narrow size distribution. In a two‐phase system, chloroform and water were used as separate solvents for palmitoyl chloride functionalized hyperbranched polyamidoamine (HPAMAM‐PC) and cadmium acetate/sodium sulfide, respectively. The amphiphilic HPAMAM‐PC, with a hydrophilic dendritic core and hydrophobic arms, formed stable unimolecular micelles in chloroform and was used to encapsulate aqueous Cd2誉. After the reaction with S2−ions from the aqueous phase, monodisperse and uniform‐sized CdS QDs stabilized by HPAMAM‐PC unimolecular micelles were obtained. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci 120:991–997, 2011 [ABSTRACT FROM AUTHOR]

p53 mediates DNA damage-induced cell-cycle arrest, apoptosis, or senescence, and it is controlled by Mdm2, which mainly ubiquitinates p53 in the nucleus and promotes p53 nuclear export and degradation. By searching for the kinases responsible for Mdm2 S163 phosphorylation under genotoxic stress, we identified S6K1 as a multifaceted regulator of Mdm2. DNA damage activates mTOR-S6K1 through p38α MAPK. The activated S6K1 forms a tighter complex with Mdm2, inhibits Mdm2-mediated p53 ubiquitination, and promotes p53 induction, in addition to phosphorylating Mdm2 on S163. Deactivation of mTOR-S6K1 signalling leads to Mdm2 nuclear translocation, which is facilitated by S163 phosphorylation, a reduction in p53 induction, and an alteration in p53-dependent cell death. These findings thus establish mTOR-S6K1 as a novel regulator of p53 in DNA damage response and likely in tumorigenesis. S6K1–Mdm2 interaction presents a route for cells to incorporate the metabolic/energy cues into DNA damage response and links the aging-controlling Mdm2–p53 and mTOR-S6K pathways. [ABSTRACT FROM AUTHOR]

Several common variants in the intron 1 of FTO (fat mass and associated obesity) gene have been reliably associated with BMI and obesity in European populations. We analyzed two variants (rs9939609 and rs8050136) in 4,189 Chinese Han individuals and conducted a meta-analysis of published studies in Asian population to investigate whether these variants are associated with type 2 diabetes (T2D) and obesity in Asian population. In this study, both the minor allele A of rs9939609 and the minor allele A of rs805136 were associated with increased risk of T2D, independent of measures of BMI; the odds ratios (ORs) per copy of the risk allele were 1.19 for rs9939609 (95% confidence interval (CI), 1.04–1.37; P = 0.01) and 1.22 for rs8050136 (95% CI, 1.07–1.40; P = 0.004) after adjusting for age, sex, and BMI. Our results also showed association with risk of obesity (rs9939609: OR = 1.39 (95% CI 1.04–1.85), P = 0.02; rs8050136: OR = 1.45 (95% CI 1.09–1.93), P = 0.01) but no association with overweight. These results were consistent with the pooled results from our meta-analysis study (for diabetes, rs8050136, P = 1.3 × 10−3; rs9939609, P = 9.8 × 10−4; for obesity, rs8050136, P = 2.2 × 10−7; rs9939609, P = 9.0 × 10−9). Our findings indicate that the two variants (rs9939609 and rs8050136) in the FTO gene contribute to obesity and T2D in the Asian populations. [ABSTRACT FROM AUTHOR]