Hunan University

This paper presents a novel adaptive synthetic (ADASYN) sampling approach for learning from imbalanced data sets. The essential idea of ADASYN is to use a weighted distribution for different minority class examples according to their level of difficulty in learning, where more synthetic data is generated for minority class examples that are harder to learn compared to those minority examples that are easier to learn. As a result, the ADASYN approach improves learning with respect to the data distributions in two ways: (1) reducing the bias introduced by the class imbalance, and (2) adaptively shifting the classification decision boundary toward the difficult examples. Simulation analyses on several machine learning data sets show the effectiveness of this method across five evaluation metrics.

Because undesirable pharmacokinetics and toxicity of candidate compounds are the main reasons for the failure of drug development, it has been widely recognized that absorption, distribution, metabolism, excretion and toxicity (ADMET) should be evaluated as early as possible. In silico ADMET evaluation models have been developed as an additional tool to assist medicinal chemists in the design and optimization of leads. Here, we announced the release of ADMETlab 2.0, a completely redesigned version of the widely used AMDETlab web server for the predictions of pharmacokinetics and toxicity properties of chemicals, of which the supported ADMET-related endpoints are approximately twice the number of the endpoints in the previous version, including 17 physicochemical properties, 13 medicinal chemistry properties, 23 ADME properties, 27 toxicity endpoints and 8 toxicophore rules (751 substructures). A multi-task graph attention framework was employed to develop the robust and accurate models in ADMETlab 2.0. The batch computation module was provided in response to numerous requests from users, and the representation of the results was further optimized. The ADMETlab 2.0 server is freely available, without registration, at https://admetmesh.scbdd.com/.

Co3 O4 , which is of mixed valences Co(2+) and Co(3+) , has been extensively investigated as an efficient electrocatalyst for the oxygen evolution reaction (OER). The proper control of Co(2+) /Co(3+) ratio in Co3 O4 could lead to modifications on its electronic and thus catalytic properties. Herein, we designed an efficient Co3 O4 -based OER electrocatalyst by a plasma-engraving strategy, which not only produced higher surface area, but also generated oxygen vacancies on Co3 O4 surface with more Co(2+) formed. The increased surface area ensures the Co3 O4 has more sites for OER, and generated oxygen vacancies on Co3 O4 surface improve the electronic conductivity and create more active defects for OER. Compared to pristine Co3 O4 , the engraved Co3 O4 exhibits a much higher current density and a lower onset potential. The specific activity of the plasma-engraved Co3 O4 nanosheets (0.055 mA cm(-2) BET at 1.6 V) is 10 times higher than that of pristine Co3 O4 , which is contributed by the surface oxygen vacancies.

Efficient and reliable energy storage systems are crucial for our modern society. Lithium-ion batteries (LIBs) with excellent performance are widely used in portable electronics and electric vehicles (EVs), but frequent fires and explosions limit their further and more widespread applications. This review summarizes aspects of LIB safety and discusses the related issues, strategies, and testing standards. Specifically, it begins with a brief introduction to LIB working principles and cell structures, and then provides an overview of the notorious thermal runaway, with an emphasis on the effects of mechanical, electrical, and thermal abuse. The following sections examine strategies for improving cell safety, including approaches through cell chemistry, cooling, and balancing, afterwards describing current safety standards and corresponding tests. The review concludes with insights into potential future developments and the prospects for safer LIBs.

Sharing of research data in public repositories has become best practice in academia. With the accumulation of massive data, network bandwidth and storage requirements are rapidly increasing. The ProteomeXchange (PX) consortium implements a mode of centralized metadata and distributed raw data management, which promotes effective data sharing. To facilitate open access of proteome data worldwide, we have developed the integrated proteome resource iProX (http://www.iprox.org) as a public platform for collecting and sharing raw data, analysis results and metadata obtained from proteomics experiments. The iProX repository employs a web-based proteome data submission process and open sharing of mass spectrometry-based proteomics datasets. Also, it deploys extensive controlled vocabularies and ontologies to annotate proteomics datasets. Users can use a GUI to provide and access data through a fast Aspera-based transfer tool. iProX is a full member of the PX consortium; all released datasets are freely accessible to the public. iProX is based on a high availability architecture and has been deployed as part of the proteomics infrastructure of China, ensuring long-term and stable resource support. iProX will facilitate worldwide data analysis and sharing of proteomics experiments.

The long wavelength (far-red to NIR) analyte-responsive fluorescent probes are advantageous for in vivo bioimaging because of minimum photo-damage to biological samples, deep tissue penetration, and minimum interference from background auto-fluorescence by biomolecules in the living systems. Thus, great interest in the development of new long wavelength analyte-responsive fluorescent probes has emerged in recent years. This review highlights the advances in the development of far-red to NIR fluorescent probes since 2000, and the probes are classified according to their organic dye platforms into various categories, including cyanines, rhodamine analogues, BODIPYs, squaraines, and other types (240 references).

A fast and effective image fusion method is proposed for creating a highly informative fused image through merging multiple images. The proposed method is based on a two-scale decomposition of an image into a base layer containing large scale variations in intensity, and a detail layer capturing small scale details. A novel guided filtering-based weighted average technique is proposed to make full use of spatial consistency for fusion of the base and detail layers. Experimental results demonstrate that the proposed method can obtain state-of-the-art performance for fusion of multispectral, multifocus, multimodal, and multiexposure images.

Oxygen electrocatalysis, including the oxygen-reduction reaction (ORR) and oxygen-evolution reaction (OER), is a critical process for metal-air batteries. Therefore, the development of electrocatalysts for the OER and the ORR is of essential importance. Indeed, various advanced electrocatalysts have been designed for the ORR or the OER; however, the origin of the advanced activity of oxygen electrocatalysts is still somewhat controversial. The enhanced activity is usually attributed to the high surface areas, the unique facet structures, the enhanced conductivities, or even to unclear synergistic effects, but the importance of the defects, especially the intrinsic defects, is often neglected. More recently, the important role of defects in oxygen electrocatalysis has been demonstrated by several groups. To make the defect effect clearer, the recent development of this concept is reviewed here and a novel principle for the design of oxygen electrocatalysts is proposed. An overview of the defects in carbon-based, metal-free electrocatalysts for ORR and various defects in metal oxides/selenides for OER is also provided. The types of defects and controllable strategies to generate defects in electrocatalysts are presented, along with techniques to identify the defects. The defect-activity relationship is also explored by theoretical methods.

As with donuts, the holes matter Improving the density of stored charge and increasing the speed at which it can move through a material are usually opposing objectives. Sun et al. developed a Nb 2 O 5 /holey graphene framework composite with tailored porosity. The three-dimensional, hierarchically porous holey graphene acted as a conductive scaffold to support Nb 2 O 5 . A high mass loading and improved power capability were reached by tailoring the porosity in the holey graphene backbone with higher charge transport in the composite architecture. The interconnected graphene network provided excellent electron transport, and the hierarchical porous structure in the graphene sheets facilitated rapid ion transport and mitigated diffusion limitations. Science , this issue p. 599

In halide perovskite solar cells the formation of secondary-phase excess lead iodide (PbI 2 ) has some positive effects on power conversion efficiency (PCE) but can be detrimental to device stability and lead to large hysteresis effects in voltage sweeps. We converted PbI 2 into an inactive (PbI 2 ) 2 RbCl compound by RbCl doping, which effectively stabilizes the perovskite phase. We obtained a certified PCE of 25.6% for FAPbI 3 (FA, formamidinium) perovskite solar cells on the basis of this strategy. Devices retained 96% of their original PCE values after 1000 hours of shelf storage and 80% after 500 hours of thermal stability testing at 85°C.

for OER in a dynamic way by observing the surface dynamic evolution process of defective electrocatalysts and identifying the real active sites during the electrocatalysis process. The current finding would motivate the community to focus more on the dynamic behavior of defect electrocatalysts.

), generation of reactive oxygen species (ROS), destruction of membrane structure. Despite these therapeutic benefits, their biological safety problems such as potential toxicity on cells, tissue, and organs should be paid enough attention. Besides, we briefly introduce a new type of Ag particles smaller than AgNPs, silver Ångstrom (Å, 1 Å = 0.1 nm) particles (AgÅPs), which exhibit better biological activity and lower toxicity compared with AgNPs. Finally, we conclude the current challenges and point out the future development direction of AgNPs.

conversion and degradation of environmental contaminants. Finally, a summary and perspective on the opportunities and challenges for the future development of COF and COF-based photocatalysts are given.

The discovery of graphene has ignited intensive interest in two-dimensional layered materials (2DLMs). These 2DLMs represent a new class of nearly ideal 2D material systems for exploring fundamental chemistry and physics at the limit of single-atom thickness, and have the potential to open up totally new technological opportunities beyond the reach of existing materials. In general, there are a wide range of 2DLMs in which the atomic layers are weakly bonded together by van der Waals interactions and can be isolated into single or few-layer nanosheets. The van der Waals interactions between neighboring atomic layers could allow much more flexible integration of distinct materials to nearly arbitrarily combine and control different properties at the atomic scale. The transition metal dichalcogenides (TMDs) (e.g., MoS2, WSe2) represent a large family of layered materials, many of which exhibit tunable band gaps that can undergo a transition from an indirect band gap in bulk crystals to a direct band gap in monolayer nanosheets. These 2D-TMDs have thus emerged as an exciting class of atomically thin semiconductors for a new generation of electronic and optoelectronic devices. Recent studies have shown exciting potential of these atomically thin semiconductors, including the demonstration of atomically thin transistors, a new design of vertical transistors, as well as new types of optoelectronic devices such as tunable photovoltaic devices and light emitting devices. In parallel, there have also been considerable efforts in developing diverse synthetic approaches for the rational growth of various forms of 2D materials with precisely controlled chemical composition, physical dimension, and heterostructure interface. Here we review the recent efforts, progress, opportunities and challenges in exploring the layered TMDs as a new class of atomically thin semiconductors.

The nonlinear optical property of few-layered MoS₂ nanoplatelets synthesized by the hydrothermal exfoliation method was investigated from the visible to the near-infrared band using lasers. Both open-aperture Z-scan and balanced-detector measurement techniques were used to demonstrate the broadband saturable absorption property of few-layered MoS₂. To explore its potential applications in ultrafast photonics, we fabricated a passive mode locker for ytterbium-doped fibre laser by depositing few-layered MoS₂ onto the end facet of optical fiber by means of an optical trapping approach. Our laser experiment shows that few-layer MoS₂-based mode locker allows for the generation of stable mode-locked laser pulse, centered at 1054.3 nm, with a 3-dB spectral bandwidth of 2.7 nm and a pulse duration of 800 ps. Our finding suggests that few-layered MoS₂ nanoplatelets can be useful nonlinear optical material for laser photonics devices, such as passive laser mode locker, Q-switcher, optical limiter, optical switcher and so on.

It is of essential importance to design an electrocatalyst with excellent performance for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in water splitting.

Black phosphorus (BP), an emerging narrow direct band-gap two-dimensional (2D) layered material that can fill the gap between the semi-metallic graphene and the wide-bandgap transition metal dichalcogenides (TMDs), had been experimentally found to exhibit the saturation of optical absorption if under strong light illumination. By taking advantage of this saturable absorption property, we could fabricate a new type of optical saturable absorber (SA) based on mechanically exfoliated BPs, and further demonstrate the applications for ultra-fast laser photonics. Based on the balanced synchronous twin-detector measurement method, we have characterized the saturable absorption property of the fabricated BP-SAs at the telecommunication band. By incorporating the BP-based SAs device into the all-fiber Erbium-doped fiber laser cavities, we are able to obtain either the passive Q-switching (with maximum pulse energy of 94.3 nJ) or the passive mode-locking operation (with pulse duration down to 946 fs). Our results show that BP could also be developed as an effective SA for pulsed fiber or solid-state lasers.

Aqueous zinc-ion batteries are largely restricted by the unsatisfactory performance of zinc (Zn) anodes, including their poor stability and irreversibility. In particular, the mechanism behind the electrochemical contrast caused by the surface crystal plane, which is a decisive factor of the electrochemical characteristics of the hostless Zn anode, is still relatively indistinct. Hence, new insight into a novel anode with a surface-preferred (002) crystal plane is provided. The interfacial reaction and morphology evolution are revealed by theoretical analysis and post-mortem/operando experimental techniques, indicating that Zn anodes with more exposed (002) basal planes exhibit free dendrites, no by-products, and weak hydrogen evolution, in sharp contrast to the (100) plane. These features benefit the Zn (002) anode by enabling a long cyclic life of more than 500 h and a high average coulombic efficiency of 97.71% for symmetric batteries, along with delivering long cycling stability and reversibility with life spans of over 2000 cycles for full batteries. This work provides new insights into the design of high-performance Zn anodes for large-scale energy storage and can potentially be applied to other metal anodes suffering from instability and irreversibility.

The reasonable design of electrode materials for rechargeable batteries plays an important role in promoting the development of renewable energy technology. With the in-depth understanding of the mechanisms underlying electrode reactions and the rapid development of advanced technology, the performance of batteries has significantly been optimized through the introduction of defect engineering on electrode materials. A large number of coordination unsaturated sites can be exposed by defect construction in electrode materials, which play a crucial role in electrochemical reactions. Herein, recent advances regarding defect engineering in electrode materials for rechargeable batteries are systematically summarized, with a special focus on the application of metal-ion batteries, lithium-sulfur batteries, and metal-air batteries. The defects can not only effectively promote ion diffusion and charge transfer but also provide more storage/adsorption/active sites for guest ions and intermediate species, thus improving the performance of batteries. Moreover, the existing challenges and future development prospects are forecast, and the electrode materials are further optimized through defect engineering to promote the development of the battery industry.

As a newly emerging kind of porous material, covalent organic frameworks (COFs) have drawn much attention because of their fascinating structural features (e.g., divinable structure, adjustable porosity and total organic backbone). Since the seminal work of Yaghi and co-workers reported in 2005, the COF materials have shown superior potential in diverse applications, such as gas storage, adsorption, optoelectronics, catalysis, etc. Recently, COF materials have shown a new trend in sensing fields. This critical review briefly describes the synthesis routes for COF powders and thin films. What's more, the most fascinating and significant applications of COFs in sensing fields including explosive sensing, humidity sensing, pH detection, biosensing, gas sensing, metal ion sensing, and other substance sensing are summarized and highlighted. Finally, the major challenges and future trends of COFs with respect to their preparation and sensing applications are discussed.