Modulating solvated structure of Zn2+ and inducing surface crystallography by a simple organic molecule with abundant polar functional groups to synergistically stabilize zinc metal anodes for long-life aqueous zinc-ion batteries.

Aqueous zinc-ion batteries (AZIBs) have attracted significant attention owing to their inherent security, low cost, abundant zinc (Zn) resources and high energy density. Nevertheless, the growth of zinc dendrites and side reactions on the surface of Zn anodes during repeatedly plating/stripping shorten the cycle life of AZIBs. Herein, a simple organic molecule with abundant polar functional groups, 2,2,2-trifluoroether formate (TF), has been proposed as a high-efficient additive in the ZnSO4 electrolyte to suppress the growth of Zn dendrites and side reaction during cycling. It is found that TF molecules can infiltrate the solvated sheath layer of the hydrated Zn2+ to reduce the number of highly chemically active H2O molecules owing to their strong binding energy with Zn2+. Simultaneously, TF molecules can preferentially adsorb onto the Zn surface, guiding the uniform deposition of Zn2+ along the crystalline surface of Zn(002). This dual action significantly inhibits the formation of Zn dendrites and side reactions, thus greatly extending the cycling life of the batteries. Accordingly, the Zn//Cu asymmetric cell with 2 % TF exhibits stable cycling for more than 3,800 cycles, achieving an excellent average Columbic efficiency (CE) of 99.81 % at 2 mA cm-2/1 mAh cm-2. Meanwhile, the Zn||Zn symmetric cell with 2 % TF demonstrates a superlong cycle life exceeding 3,800 h and 2,400 h at 2 mA cm-2/1 mAh cm-2 and 5 mA cm-2/2.5 mAh cm-2, respectively. Simultaneously, the Zn//VO2 full cell with 2 % TF possesses high initial capacity (276.8 mAh/g) and capacity retention (72.5 %) at 5 A/g after 500 cycles. This investigation provides new insights into stabilizing Zn metal anodes for AZIBs through the co-regulation of Zn2+ solvated structure and surface crystallography.

In-vivo assessment of a rat rectal tumor using optical-resolution photoacoustic endoscopy.

Optical-resolution photoacoustic endoscopy (OR-PAE) has been proven to realize imaging on the vascular network in the gastrointestinal (GI) tract with high sensitivity and spatial resolution, providing morphological information. Various photoacoustic endoscopic catheters were developed to improve the resolution and adaptivity of in-vivo imaging. However, this technology has not yet been validated on in-vivo GI tumors, which generally feature angiogenesis. The tumor causes thickened mucosa and neoplasia, requiring large depth-of-field (DOF) in imaging, which contradicts to high-resolution imaging. In this work, a novel catheter was developed with a high resolution of ∼27 µm, providing a matched DOF of ∼400 µm to cover the vessels up to the submucosa layer. Optical-resolution photoacoustic endoscopic imaging was first performed on in-vivo rat rectal tumors. In addition, to further characterize the vessel morphology, tumor-suspected regions and normal regions were selected for quantification and analysis of vessel dimension distribution and tortuosity. All the results suggest that the OR-PAE has great application potential in tumor diagnosis, evaluation, and monitoring of therapeutic efficacy.

Rod-like Ni-CoS2@NC@C: Structural design, heteroatom doping and carbon confinement engineering to synergistically boost sodium storage performance.

Currently, conversion-type transition metal sulfides have been extensively favored as the anodes for sodium-ion batteries due to their excellent redox reversibility and high theoretical capacity; however, they generally suffer from large volume expansion and structural instability during repeatedly Na+ de/intercalation. Herein, spatially dual-confined Ni-doped CoS2@NC@C microrods (Ni-CoS2@NC@C) are developed via structural design, heteroatom doping and carbon confinement to boost sodium storage performance of the material. The morphology of one-dimensional-structured microrods effectively enlarges the electrode/electrolyte contact area, while the confinement of dual-carbon layers greatly alleviates the volume change-induced stress, pulverization, agglomeration of the material during charging and discharging. Moreover, the introduction of Ni improves the electrical conductivity of the material by modulating the electronic structure and enlarges the interlayer distance to accelerate Na+ diffusion. Accordingly, the as-prepared Ni-CoS2@NC@C exhibits superb electrochemical properties, delivering the satisfactory cycling performance of 526.6 mA h g-1 after 250 cycles at 1 A g-1, excellent rate performance of 410.9 mA h g-1 at 5 A g-1 and superior long cycling life of 502.5 mA h g-1 after 1,500 cycles at 5 A g-1. This study provides an innovative idea to improve sodium storage performance of conversion-type transition metal sulfides through the comprehensive strategy of structural design, heteroatom doping and carbon confinement.

Heterogeneous engineering and carbon confinement strategy to synergistically boost the sodium storage performance of transition metal selenides.

Transition metal selenides (TMSs) stand out as a promising anode material for sodium-ion batteries (SIBs) owing to their natural resources and exceptional sodium storage capacity. Despite these advantages, their practical application faces challenges, such as poor electronic conductivity, sluggish reaction kinetics and severe agglomeration during electrochemical reactions, hindering their effective utilization. Herein, the dual-carbon-confined CoSe2/FeSe2@NC@C nanocubes with heterogeneous structure are synthesized using ZIF-67 as the template by ion exchange, resorcin-formaldehyde (RF) coating, and subsequent in situ carbonization and selenidation. The N-doped porous carbon promotes rapid electrolyte penetration and minimizes the agglomeration of active materials during charging and discharging, while the RF-derived carbon framework reduces the cycling stress and keeps the integrity of the material structure. More importantly, the built-in electric field at the heterogeneous boundary layer drives electron redistribution, optimizing the electronic structure and enhancing the reaction kinetics of the anode material. Based on this, the nanocubes of CoSe2/FeSe2@NC@C exhibits superb sodium storage performance, delivering a high discharge capacity of 512.6 mA h g-1 at 0.5 A g-1 after 150 cycles and giving a discharge capacity of 298.2 mA h g-1 at 10 A g-1 with a CE close to 100.0 % even after 1000 cycles. This study proposes a viable method to synthesize advanced anodes for SIBs by a synergy effect of heterogeneous interfacial engineering and a carbon confinement strategy.

Optimizing Interplanar Spacing, Oxygen Vacancies and Micromorphology via Lithium-Ion Pre-Insertion into Ammonium Vanadate Nanosheets for Advanced Cathodes in Aqueous Zinc-Ion Batteries.

Ammonium vanadates, featuring an N─H···O hydrogen bond network structure between NH4 + and V─O layers, have become popular cathode materials for aqueous zinc-ion batteries (AZIBs). Their appeal lies in their multi-electron transfer, high specific capacity, and facile synthesis. However, a major drawback arises as Zn2+ ions tend to form bonds with electronegative oxygen atoms between V─O layers during cycling, leading to irreversible structural collapse. Herein, Li+ pre-insertion into the intermediate layer of NH4 V4 O10 is proposed to enhance the electrochemical activity of ammonium vanadate cathodes for AZIBs, which extends the interlayer distance of NH4 V4 O10 to 9.8 Å and offers large interlaminar channels for Zn2+ (de)intercalation. Moreover, Li+ intercalation weakens the crystallinity, transforms the micromorphology from non-nanostructured strips to ultrathin nanosheets, and increases the level of oxygen defects, thus exposing more active sites for ion and electron transport, facilitating electrolyte penetration, and improving electrochemical kinetics of electrode. In addition, the introduction of Li+ significantly reduces the bandgap by 0.18 eV, enhancing electron transfer in redox reactions. Leveraging these unique advantages, the Li+ pre-intercalated NH4 V4 O10 cathode exhibits a high reversible capacity of 486.1 mAh g-1 at 0.5 A g-1 and an impressive capacity retention rate of 72% after 5,000 cycles at 5 A g-1 .

Broadband transparent ultrasound transducer with polymethyl methacrylate as matching layer for in vivo photoacoustic microscopy.

Photoacoustic imaging (PAI) uniquely combines optics and ultrasound, presenting a promising role in biomedical imaging as a non-invasive and label-free imaging technology. As the traditional opaque ultrasound (US) transducers could hinder the transportation of the excitation light and limit the performance of PAI system, piezoelectric transparent ultrasonic transducers (TUTs) with indium tin oxide (ITO) electrodes have been developed to allow light transmission through the transducer and illuminate the sample directly. Nevertheless, without having transparent matching materials with appropriate properties, the bandwidth of those TUTs was generally narrow. In this work, we propose to employ polymethyl methacrylate (PMMA) as the matching layer material to improve the bandwidth of lithium niobate (LN)-based TUTs. The effects of PMMA matching layer on the performance of TUTs have been systematically studied. With the optimized PMMA matching layer, the very wide bandwidth of > 50 % could be achieved for the TUTs even with different transducer frequencies, leading to the great enhancement of axial resolution when compared to the similar reported work. In addition, the imaging performance of the developed TUT prototype has been evaluated in a PAI system and demonstrated by both phantom and in vivo small animal imaging.

Samarium-Doped Lead Magnesium Niobate-Lead Titanate Ceramics Fabricated by Sintering the Mixture of Two Different Crystalline Phases.

The fabrication method plays a key role in the performance of lead magnesium niobate-lead titanate-based ceramics. (1 - w)[Pb(Mg1/3Nb2/3)0.67Ti0.33O3]-w[Pb1-1.5xSmx(Mg1/3Nb2/3)yTi1-yO3] piezoelectric ceramics were prepared by sintering the mixture of two different crystalline phases in which two pre-sintered precursor powders were mixed and co-fired at designated ratios (w = 0.3, 0.4, 0.5, 0.6). The X-ray diffraction results show that all the ceramics presented a pure perovskite structure. The grains were closely packed and the average size was ~5.18 µm based on observations from scanning electron microscopy images, making the ceramics have a high density that is 97.8% of the theoretical one. The piezoelectric, dielectric, and ferroelectric properties of the ceramics were investigated systematically. It was found that the properties of the ceramics were significantly enhanced when compared to the ceramics fabricated using the conventional one-step approach. An outstanding piezoelectric coefficient d33 of 1103 pC/N and relative dielectric permittivity ε33/ε0 of 9154 was achieved for the ceramics with w = 0.5.

High-Energy-Density Cathode Achieved via the Activation of a Three-Electron Reaction in Sodium Manganese Vanadium Phosphate for Sodium-Ion Batteries.

Sodium superionic conductor (NASICON)-type Na3 V2 (PO4 )3 has attracted considerable interest owing to its stable three-dimensional framework and high operating voltage; however, it suffers from a low-energy density due to the poor intrinsic electronic conductivity and limited redox couples. Herein, the partial substitution of Mn3+ for V3+ in Na3 V2 (PO4 )3 is proposed to activate V4+ /V5+ redox couple for boosting energy density of the cathodes (Na3 V2- x Mnx (PO4 )3 ). With the introduction of Mn3+ into Na3 V2 (PO4 )3 , the band gap is significantly reduced by 1.406 eV and thus the electronic conductivity is greatly enhanced. The successive conversions of four stable oxidation states (V2+ /V3+ , V3+ /V4+ , and V4+ /V5+ ) are also successfully achieved in the voltage window of 1.4-4.0 V, corresponding to three electrons involved in the reversible reaction. Consequently, the cathode with x = 0.5 exhibits a high reversible discharge capacity of 170.9 mAh g-1 at 0.5 C with an ultrahigh energy density of 577 Wh kg-1 . Ex-situ x-ray diffraction (XRD) analysis reveals that the sodium-storage mechanism for Mn-doped Na3 V2 (PO4 )3 consists of single-phase and bi-phase reactions. This work deepens the understanding of the activation of reversible three-electron reaction in NASICON-structured polyanionic phosphates and provides a feasible strategy to develop high-energy-density cathodes for sodium-ion batteries.

Efficient Suppression of Dendrites and Side Reactions by Strong Electrostatic Shielding Effect via the Additive of Rb2 SO4 for Anodes in Aqueous Zinc-Ion Batteries.

Aqueous zinc-ion batteries (AZIBs) have attracted considerable attention due to their low cost and environmental friendliness. However, the rampant dendrite growth and severe side reactions during plating/stripping on the surface of zinc (Zn) anode hinder the practicability of AZIBs. Herein, an effective and non-toxic cationic electrolyte additive of Rb2 SO4 is proposed to address the issues. The large cation of Rb+ is preferentially adsorbed on the surface of Zn metal to induce a strong shielding effect for realizing the lateral deposition of Zn2+ ions along the Zn surface and isolating water from Zn metal to effectively inhibit side reactions. Consequently, the Zn||Zn symmetric cell with the addition of 1.5 mm Rb2 SO4 can cycle more than 6000 h at 0.5 mA cm-2 /0.25 mAh cm-2 , which is 20 times longer than that without Rb2 SO4 . Besides, the Zn||Cu asymmetric cell with Rb2 SO4 achieves a very high average Coulombic efficiency of 99.16% up to 500 cycles. Moreover, the electrolyte with Rb2 SO4 well matches with the VO2 cathode, achieving high initial capacity of 412.7 mAh g-1 at 5 A g-1 and excellent cycling stability with a capacity retention of 71.6% at 5 A g-1 after 500 cycles for the Zn//VO2 full cell.

Fabrication of 3D macroporous Fe3O4-GO-Ni through a 'nano-reinforced concrete' method in the application of flexible supercapacitors.

Aqueous flexible supercapacitors have promising potential in the application of wearable electronics but are limited by their low energy densities. Typically, thin nanostructured active materials are deposited on current collectors to achieve high specific capacitances based on active materials, yet the capacitance of total electrodes is sacrificed. The fabrication of 3D macroporous current collectors is a pioneering solution to retain the high specific capacitances of both active materials and electrodes, achieving supercapacitors with high energy density. In this work, through a 'nano-reinforced concrete' method, Fe3O4-GO-Ni with a 3D macroporous structure is synthesized on the surface of cotton threads. In the synthesis process, Ni, hollow Fe3O4 microspheres and graphene oxide (GO) function as the adhesive, fillers, and reinforced and structural materials, respectively. The resultant Fe3O4-GO-Ni@cotton exhibits ultrahigh specific capacitances of 4.71 and 1.85 F cm-2 as positive and negative electrodes, respectively. The electrodes with 3D macroporous structures have good compatibility with the volume change of active materials during the charge-discharge process, leading to excellent long-cycle performance up to 10 000 charge-discharge cycles. To demonstrate the potential of practical applications, a flexible symmetric supercapacitor is fabricated using Fe3O4-GO-Ni@cotton electrodes and shows an energy density of 19.64 mW h cm-3.

Polydopamine-modification of a magnetic composite constructed from citric acid-cross-linked cyclodextrin and graphene oxide for dye removal from waters.

The effect of polydopamine (PDA) modification on aminated Fe3O4 nanoparticles (Fe3O4-NH2)/graphite oxide (GO)/ß-cyclodextrin polymer cross-linked by citric acid (CDP-CA) composites were studied for the removal of a cationic dye (methylene blue, MB) and an anionic dye (Congo red, CR) from waters. The micro-structural and magnetic characterizations confirmed the successful preparation of Fe3O4-NH2/GO/CDP-CA and PDA/Fe3O4-NH2/GO/CDP-CA composites. The maximum MB and CR adsorption capacities of Fe3O4-NH2/GO/CDP-CA were 75 mg/g and 104 mg/g, respectively, while the corresponding amounts for PDA/Fe3O4-NH2/GO/CDP-CA composite were 195 mg/g and 64 mg/g, respectively. The dye sorption behaviors of these two composites were explained by their corresponding surface-charged properties according to the measured zeta potential results. Moreover, the high saturation magnetizations and the stable dye removal rate in the adsorption-desorption cycles indicated the good recyclability and reusability of the fabricated composites.

A Miniature Multi-Functional Photoacoustic Probe.

Photoacoustic technology is a promising tool to provide morphological and functional information in biomedical research. To enhance the imaging efficiency, the reported photoacoustic probes have been designed coaxially involving complicated optical/acoustic prisms to bypass the opaque piezoelectric layer of ultrasound transducers, but this has led to bulky probes and has hindered the applications in limited space. Though the emergence of transparent piezoelectric materials helps to save effort on the coaxial design, the reported transparent ultrasound transducers were still bulky. In this work, a miniature photoacoustic probe with an outer diameter of 4 mm was developed, in which an acoustic stack was made with a combination of transparent piezoelectric material and a gradient-index lens as a backing layer. The transparent ultrasound transducer exhibited a high center frequency of ~47 MHz and a -6 dB bandwidth of 29.4%, which could be easily assembled with a pigtailed ferrule of a single-mode fiber. The multi-functional capability of the probe was successfully validated through experiments of fluid flow sensing and photoacoustic imaging.

Multilevel spatial confinement of transition metal selenides porous microcubes for efficient and stable potassium storage.

Recently, potassium-ion batteries (PIBs) have been considered as one of the most promising energy storage systems; however, the slow kinetics and large volume variation induced by the large radius of potassium ions (K+) during chemical reactions lead to inferior structural stability and weak electrochemical activity for most potassium storage anodes. Herein, a multilevel space confinement strategy is proposed for developing zinc-cobalt bimetallic selenide (ZnSe/Co0.85Se@NC@C@rGO) as high-efficient anodes for PIBs by in-situ carbonizing and subsequently selenizing the resorcinol-formaldehyde (RF)-coated zeolitic imidazolate framework-8/zeolitic imidazolate framework-67 (ZIF-8/ZIF-67) encapsulated into 2D graphene. The highly porous carbon microcubes derived from ZIF-8/ZIF-67 and carbon shell arising from RF provide rich channels for ion/electron transfer, present a rigid skeleton to ensure the structural stability, offer space for accommodating the volume change, and minimize the agglomeration of active material during the insertion/extraction of large-radius K+. In addition, the three-dimensional (3D) carbon network composed of graphene and RF-derived carbon-coated microcubes accelerates the electron/ion transfer rate and improves the electrochemical reaction kinetics of the material. As a result, the as-synthesized ZnSe/Co0.85Se@NC@C@rGO as the anode of PIBs possesses the excellent rate capability of 203.9 mA h g-1 at 5 A g-1 and brilliant long-term cycling performance of 234 mA h g-1 after 2,000 cycles at 2 A g-1. Ex-situ X-ray diffraction (Ex-situ XRD) diffraction reveals that the intercalation/de-intercalation of K+ proceeds through the conversion-alloying reaction. The proposed strategy based on the spatial confinement engineering is highly effective to construct high-performance anodes for PIBs.

Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.

Botulinum neurotoxin E (BoNT/E) is one of the major causes of human botulism and paradoxically also a promising therapeutic agent. Here we determined the co-crystal structures of the receptor-binding domain of BoNT/E (HCE) in complex with its neuronal receptor synaptic vesicle glycoprotein 2A (SV2A) and a nanobody that serves as a ganglioside surrogate. These structures reveal that the protein-protein interactions between HCE and SV2 provide the crucial location and specificity information for HCE to recognize SV2A and SV2B, but not the closely related SV2C. At the same time, HCE exploits a separated sialic acid-binding pocket to mediate recognition of an N-glycan of SV2. Structure-based mutagenesis and functional studies demonstrate that both the protein-protein and protein-glycan associations are essential for SV2A-mediated cell entry of BoNT/E and for its potent neurotoxicity. Our studies establish the structural basis to understand the receptor-specificity of BoNT/E and to engineer BoNT/E variants for new clinical applications.

Enhancement of Thermoelectric Performance for CuCl Doped P-Type Cu2Sn0.7Co0.3S3.

Cu2SnS3 (CSS) has gained great attraction due to its constitutive earth-abundant elements and intrinsic low lattice thermal conductivity, κl, potentially providing high quality factor, B, and high zT value. However, the lack of band convergence is the bottleneck to enhancing the thermoelectric performance of Cu2SnS3 when performing the band engineering. To study the doping effect on the band structure and the thermoelectric performance, the composite Cu2Sn0.7Co0.3S3-xCuCl (x = 0, 0.1, 0.2, 0.3) (CSCS-xCuCl) has been investigated for the first time. The samples showed excellent data repeatability at high temperatures of up to 700 K. It was found that CuCl could compensate the Cu loss, enhance the phonon scattering and minimize the adverse effect on the power factor, PF. The ultralow lattice thermal conductivity could reach 0.38 W m-1 K-1 for the nominal composition of CSCS-0.3CuCl at 700 K. A peak zT of 0.56 (evaluated with no cold finger effect) was realized at 700 K when x = 0.3, which is almost double the performance of pristine samples.

Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.

Botulinum neurotoxins (BoNTs) are among the most lethal toxins known to humans, comprising seven established serotypes termed BoNT/A-G encoded in two types of gene clusters (ha and orfX) in BoNT-producing clostridia. The ha cluster encodes four non-toxic neurotoxin-associated proteins (NAPs) that assemble with BoNTs to protect and enhance their oral toxicity. However, the structure and function of the orfX-type NAPs remain largely unknown. Here, we report the crystal structures for OrfX1, OrfX2, and an OrfX1-OrfX3 complex, which are encoded in the orfX cluster of a BoNT/E1-producing Clostridium botulinum strain associated with human foodborne botulism. These structures lay the foundation for future studies on the potential roles of OrfX proteins in oral intoxication and pathogenesis of BoNTs.

Miniature intravascular photoacoustic endoscopy with coaxial excitation and detection.

Recent research pointed out that the degree of inflammation in the adventitia could correlate with the severity of atherosclerotic plaques. Intravascular photoacoustic endoscopy can provide the information of arterial morphology and plaque composition, and even detecting the inflammation. However, most reported work used a noncoaxial configuration for the photoacoustic catheter design, which formed a limited light-sound overlap area for imaging so as to miss the adventitia information. Here we developed a novel 0.9 mm-diameter intravascular photoacoustic catheter with coaxial excitation and detection to resolve the aforementioned issue. A miniature hollow ultrasound transducer with a 0.18 mm-diameter orifice in the center was successfully fabricated. To show the significance and merits of our design, phantom and ex vivo imaging experiments were conducted on both coaxial and noncoaxial catheters for comparison. The results demonstrated that the coaxial catheter exhibited much better photoacoustic/ultrasound imaging performance from the intima to the adventitia.

Yeast Display Enables Identification of Covalent Single-Domain Antibodies against Botulinum Neurotoxin Light Chain A.

While covalent drug discovery is reemerging as an important route to small-molecule therapeutic leads, strategies for the discovery and engineering of protein-based irreversible binding agents remain limited. Here, we describe the use of yeast display in combination with noncanonical amino acids (ncAAs) to identify irreversible variants of single-domain antibodies (sdAbs), also called VHHs and nanobodies, targeting botulinum neurotoxin light chain A (LC/A). Starting from a series of previously described, structurally characterized sdAbs, we evaluated the properties of antibodies substituted with reactive ncAAs capable of forming covalent bonds with nearby groups after UV irradiation (when using 4-azido-l-phenylalanine) or spontaneously (when using O-(2-bromoethyl)-l-tyrosine). Systematic evaluations in yeast display format of more than 40 ncAA-substituted variants revealed numerous clones that retain binding function while gaining either UV-mediated or spontaneous crosslinking capabilities. Solution-based analyses indicate that ncAA-substituted clones exhibit site-dependent target specificity and crosslinking capabilities uniquely conferred by ncAAs. Interestingly, not all ncAA substitution sites resulted in crosslinking events, and our data showed no apparent correlation between detected crosslinking levels and distances between sdAbs and LC/A residues. Our findings highlight the power of yeast display in combination with genetic code expansion in the discovery of binding agents that covalently engage their targets. This platform streamlines the discovery and characterization of antibodies with therapeutically relevant properties that cannot be accessed in the conventional genetic code.

Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.

Botulinum neurotoxins (BoNTs) are among the deadliest of bacterial toxins. BoNT serotype A and B in particular pose the most serious threat to humans because of their high potency and persistence. To date, there is no effective treatment for late post-exposure therapy of botulism patients. Here, we aim to develop single-domain variable heavy-chain (VHH) antibodies targeting the protease domains (also known as the light chain, LC) of BoNT/A and BoNT/B as antidotes for post-intoxication treatments. Using a combination of X-ray crystallography and biochemical assays, we investigated the structures and inhibition mechanisms of a dozen unique VHHs that recognize four and three non-overlapping epitopes on the LC of BoNT/A and BoNT/B, respectively. We show that the VHHs that inhibit the LC activity occupy the extended substrate-recognition exosites or the cleavage pocket of LC/A or LC/B and thus block substrate binding. Notably, we identified several VHHs that recognize highly conserved epitopes across BoNT/A or BoNT/B subtypes, suggesting that these VHHs exhibit broad subtype efficacy. Further, we identify two novel conformations of the full-length LC/A, that could aid future development of inhibitors against BoNT/A. Our studies lay the foundation for structure-based engineering of protein- or peptide-based BoNT inhibitors with enhanced potencies and cross-subtypes properties.

Defect Engineering Boosted Ultrahigh Thermoelectric Power Conversion Efficiency in Polycrystalline SnSe.

Two-dimensional (2D)-layered atomic arrangement with ultralow lattice thermal conductivity and ultrahigh figure of merit in single-crystalline SnSe drew significant attention among all thermoelectric materials. However, the processing of polycrystalline SnSe with equivalent thermoelectric performance as single-crystal SnSe will have great technological significance. Herein, we demonstrate a high zT of 2.4 at 800 K through the optimization of intrinsic defects in polycrystalline SnSe via controlled alpha irradiation. Through a detailed theoretical calculation of defect formation energies and lattice dynamic phonon dispersion studies, we demonstrate that the presence of intrinsically charged Sn vacancies can enhance the power factor and distort the lattice thermal conductivity by phonon-defect scattering. Supporting our theoretical calculations, the experimental enhancement in the electrical conductivity leads to a massive power factor of 0.9 mW/mK2 and an ultralow lattice thermal conductivity of 0.22 W/mK through the vacancy-phonon scattering effect on polycrystalline SnSe. The strategy of intrinsic defect engineering of polycrystalline thermoelectric materials can increase the practical implementation of low-cost and high-performance thermoelectric generators.