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Background: Oxytropis coerulea is considered to be an exceptional forage. The salinization of soil is a prevalent ecological issue worldwide. In order to study the effects of saline solution on seed germination and embryo growth of O. coerulea. Methods: An experiment was carried out using the culture dish filter paper method. Three salt stresses, namely, Na2CO3, NaCl and double salt were set, each of which was set to 0%, 0.3%, 0.6% and 0.9% concentration. Result: The results indicated that as the concentration of salt increased, there was a decrease in the germination rate, germination index and embryo growth. The activities of SOD, POD and CAT, as well as soluble protein content, initially increased and then decreased with increasing salt stress. The toxic effects of the three salts ranged from strong to weak as Na2CO3 > double salt > NaCl. The salt resistance indexes of 0.3% Na2CO3, NaCl and double salt were 53.87, 57.00 and 38.73, respectively and the salt resistance index of 0.6% NaCl was 50.21, indicating a high salt-tolerant degree. It showed certain resistance to 0.3% Na2CO3, 0.6% NaCl and 0.3% double salt. In short, the various soluble mechanisms of O. coerulea in different stages of salt stress and different salt stress levels have different reaction mechanisms, which reflect the salt stress of O. coerulea seeds. O. coerulea seeds can be planted in a suitable concentration of saline-alkali land, which can utilize the feed value and medicinal value of O. coerulea to improve economic benefits and utilize saline soil to improve the ecological environment. [ABSTRACT FROM AUTHOR]

The remarkable biological and evolutionary adaptations of insects to plants are largely attributed to the powerful chemosensory systems of insects. The tomato leaf miner (Tuta absoluta) is a destructive invasive pest with a global distribution that poses a serious threat to the production of nightshade crops, especially tomatoes. Functional plants can attract or repel insect pests by releasing volatiles that interact with the olfactory system of insects, thereby reducing the damage of insect pests to target crops. However, there is limited research on the interaction between T. absoluta olfactory genes and functional plants. In this study, 97 members of the putative odorant-binding protein (OBP) family have been identified in the whole genome of T. absoluta. Phylogenetic analysis involving various Lepidopteran and Dipteran species, including D. melanogaster, revealed that OBP gene families present conserved clustering patterns. Furthermore, the Plus-C subfamily of OBP showed extremely significant expansion. Moreover, the expression levels of the OBP genes varied significantly between different developmental stages; that is, the highest number of OBP genes were expressed in the adult stage, followed by the larval stage, and fewer genes were expressed in high abundance in the egg stage. On the other hand, through a Y-tube olfactometer, we identified a functional plant—Plectranthus tomentosa—that significantly repels adult and larval T. absoluta. Finally, we screened the OBP genes in response to tomato and P. tomentosa volatiles at the genomic level of T. absoluta using RT-qPCR. These results laid a good foundation for controlling T. absoluta with functional plants and further studying olfactory genes. [ABSTRACT FROM AUTHOR]

With the wide application of knowledge graphs, knowledge graph completion has garnered increasing attention in recent years. However, we find that the long tail relation is more common in the KG. These relations typically do not have a large number of triples for training and are referred to as few-shot relations. The knowledge graph completion in the few-shot scenario is a major challenge currently. The current mainstream knowledge graph completion algorithms have the following drawbacks. The metric-based methods lack interpretability of results, while the algorithms based on path interaction are not suitable for few-shot scenarios and the availability of the model is limited in sparse knowledge graphs. In this paper, we propose a one-shot relational learning of knowledge graphs completion based on multi-hop information enhancement(MHEC). Firstly, MHEC extracts entity concepts from multi-hop paths to obtain task related entity concepts and filters out noisy neighbor attributes. Then, MHEC combines multi-hop path information between head and tail to represent entity pairs. Compared to previous completion methods that only consider structural features of entities, MHEC considers the reasoning logic between entity pairs, which not only includes structural features but also possesses rich semantic features. Next, MHEC introduces a reasoning process in the completion task to address the issues of lack of interpretability in the one-shot scenario. In addition, to improve completion and reasoning quality in sparse knowledge graphs, MHEC utilizes contrastive learning to enhance pre-training vector representations of entities and relations and proposes a matching processor that leverages the semantic information of pre-training vectors to assist the reasoning model in expanding the multi-hop paths. Experiments demonstrate that MHEC outperforms the state-of-the-art completion techniques on real-world datasets NELL-One and FB15k237-One. [ABSTRACT FROM AUTHOR]

Temporal Knowledge Graphs (TKGs) have garnered significant scholarly interest for their ability to dynamically represent the evolution of real-world events. However, the presence of the long tail effect in knowledge graphs necessitates the exploration of one-shot temporal knowledge graph reasoning. Concurrently, the issues of out-of-distribution and overfitting heavily impact the performance of models. Empirical evidence from real-world cases has demonstrated the significance of historical trend information in accurately predicting future events, and normalizing flows effectively address out-of-distribution and overfitting challenges. Thus, this paper proposes a novel approach named H istorical Trends and N ormalizing Flow for O ne-shot T emporal Knowledge Graph Reasoning (HNOT). Specifically, HNOT combine normalizing flows with a historical information aggregator to obtain more complex distributions, thereby resolving out-of-distribution and overfitting problems and capturing global representations of TKGs. In contrast to existing models that focus solely on entity and relationship modeling, we have introduced a novel historical trend information aggregator. This aggregator is designed to extract trend information from temporal knowledge subgraphs. By employing trend information as the primary modeling object, it facilitates the exploration of trend variations at different timestamps. This approach serves as an auxiliary source of global information. Subsequently, we integrate these two distinct types of information to achieve predictions of future events. Experimental results demonstrate the superiority of the proposed method over state-of-the-art baselines on three benchmark datasets. • Utilizing a domain graph aggregator, initial entity representations are obtained. • The out-of-distribution problem is mitigated through the normalizing flow technique. • Trend information serves as the primary modeling object. • The similarity of facts is analyzed through two distinct perspectives. [ABSTRACT FROM AUTHOR]

Knowledge graph completion (KGC) aims to infer missing links between entities in knowledge graphs (KGs). Recently, models based on graph neural networks (GNNs) have gained widespread attention due to their effectiveness in leveraging the topological structure information of entities. Meanwhile, contrastive learning (CL) has been employed in GNNs-based models to provide more supervised signals for better entity representation in a self-supervised manner. However, existing methods overlook the potential global semantic collaboration among entities within the entire KG. And the application of CL in KGC models often adopt random graph augmentation or basic node structure contrast, leading to suboptimal performance. To tackle them, we propose a G lobal and L ocal S emantic- E nhanced C ontrastive Framework (GLSEC) for KGC. Specifically, we develop a global Attribute-aware encoder to capture the global semantic features of entities based on an entity-entity Attribute Interaction Graph (AIG). Additionally, we design a Light Graph Aggregation Network (Light-GAN) that innovatively updates the global semantic features using the AIG, combining both efficiency and a lightweight design. Furthermore, we introduce a Global-Local cross-view Contrastive Learning (GLCL) method that contrasts embeddings from global and local views, thereby improving contrastive sample quality and boosting the model's understanding of entities in various contexts. Extensive experiments show that our model outperforms state-of-the-art KGC methods on benchmark datasets FB15k-237 and WN18RR. • We consider both global attribute and local topology information of entities. • We construct a global attribute interaction graph based on entity attribute pairs. • We design a light graph aggregation network for efficient vector updates. • We develop a novel global-local cross-view contrastive learning method. [ABSTRACT FROM AUTHOR]

Few‐shot knowledge graph (KG) reasoning is the main focus in the field of knowledge graph reasoning. In order to expand the application fields of the knowledge graph, a large number of studies are based on a large number of training samples. However, we have learnt that there are actually many missing relationships or entities in the knowledge graph, and in most cases, there are not many training instances when implementing new relationships. To tackle it, in this study, the authors aim to predict a new entity given few reference instances, even only one training instance. A few‐shot learning framework based on a hybrid attention mechanism is proposed. The framework employs traditional embedding models to extract knowledge, and uses an attenuated attention network and a self‐attention mechanism to obtain the hidden attributes of entities. Thus, it can learn a matching metric by considering both the learnt embeddings and one‐hop graph structures. The experimental results present that the model has achieved significant performance improvements on the NELL‐One and Wiki‐One datasets. [ABSTRACT FROM AUTHOR]

Background: The neural mechanisms underlying differences in the performance of simulated arthroscopic skills across various skill levels remain unclear. Our primary objective is to investigate the learning mechanisms of simulated arthroscopic skills using functional near-infrared spectroscopy (fNIRS). Methods: We recruited 27 participants, divided into three groups: novices (n = 9), intermediates (n = 9), and experts (n = 9). Participants completed seven arthroscopic tasks on a simulator, including diagnostic navigation, triangulation, grasping stars, diagnostic exploration, meniscectomy, synovial membrane cleaning, and loose body removal. All tasks were videotaped and assessed via the simulator system and the Arthroscopic Surgical Skill Evaluation Tool (ASSET), while cortical activation data were collected using fNIRS. Simulator scores and ASSET scores were analyzed to identify different level of performance of all participants. Brain region activation and functional connectivity (FC) of different types of participants were analyzed from fNIRS data. Results: Both the expert and intermediate groups scored significantly higher than the novice group (p < 0.001). There were significant differences in ASSET scores between experts and intermediates, experts and novices, and intermediates and novices (p = 0.0047, p < 0.0001, p < 0.0001), with the trend being experts > intermediates > novices. The intermediate group exhibited significantly greater activation in the left primary motor cortex (LPMC) and left prefrontal cortex (LPFC) compared to the novice group (p = 0.0152, p = 0.0021). Compared to experts, the intermediate group demonstrated significantly increased FC between the presupplementary motor area (preSMA) and the right prefrontal cortex (RPFC; p < 0.001). Additionally, the intermediate group showed significantly increased FC between the preSMA and LPFC, RPFC and LPFC, and LPMC and LPFC compared to novices (p = 0.0077, p = 0.0285, p = 0.0446). Conclusion: Cortical activation and functional connectivity reveal varying levels of activation intensity in the PFC, PMC, and preSMA among novices, intermediates, and experts. The intermediate group exhibited the highest activation intensity. [ABSTRACT FROM AUTHOR]

In recent years, few-shot knowledge graph completion (FKGC) has gained popularity as a solution to the long-tail distribution problem of real-world knowledge graphs (KGs). The previous knowledge graph completion (KGC) models obtain triple representation merely relying on the structure view, ignoring the valuable semantic knowledge. In this paper, we propose a multi-view framework for few-shot relation learning to address the issue. Specifically, based the structural information of the graph obtained using the structure view, we add the text view and the commonsense view. The text view employs text descriptions of entities and relations to obtain a richer semantic representation. The commonsense view performs high-quality negative sampling based on complex relations. Moreover, commonsense semantic constraints are invoked to suppress the overfitting caused by the complexity of the relation matrix. Extensive experiments show that our model outperforms state-of-the-art FKGC methods on the frequently-used benchmark datasets FB15k237-One and NELL-One. • We design a multi-view joint encoder to learn semantic information. • Commonsense semantic constraints are introduced to explore semantic relations. • We leverage the commonsense view to generate high-quality negative triples. • We identify candidate entities that match commonsense in the prediction process. [ABSTRACT FROM AUTHOR]

Knowledge graph (KG) is being introduced into recommender systems in more and more scenarios. However, the previous recommendation methods based on KG usually focus on mining the relative signals between a user and an item, while ignoring the exploration of collaborative signals between users. In addition, the traditional recommendation methods based on KG completely overlooks the discrepancies among users in the modeling process, which will lead to the problem of insufficient information in the obtained cold-start users' representations. To tackle these, a novel model named Knowledge Graph Preference Migration Network (KGPM) is proposed by us, aiming to address the lack of information in cold-start users' representations in the knowledge-aware recommendation. To be specific, the method aggregates the representations from a node's neighborhoods of different hops to renew the node representation on a collaborative knowledge graph (CKG) consisting of a KG and a user–item interaction graph (UIIG), and differentiates the importance of different neighbors via employing an attention mechanism. Next, to achieve preference migration by mining more collaborative signals among users, the neighbor users of the cold-start users should be further propagated in our elaborately constructed user logical interaction space. We apply two datasets accompanying specific scenarios to verify our proposed model, and the experimental results show that KGPM achieves significant improvements over the most advanced baselines. • Explicitly modeling cold-start users by classifying users. • Considering both the collaborative signals and relative signals. • A user logical interaction space is constructed to explore correlation among users. • Employing the intersection-union ratio to rationally get the similarity among users. [ABSTRACT FROM AUTHOR]

Subwavelength gratings play a fundamental and pivotal role in numerous science and applications for wave manipulation, exhibiting distinctive features such as filtering, phase manipulation, and anti‐reflection. However, conventional fabrication methods for ultrasmall periodic structures are constrained by the fundamental optical diffraction limit, making it challenging to produce subwavelength gratings for optics. Here, a novel technique is demonstrated to build a reconfigurable subwavelength photorefractive grating (SPG) in a thin‐film lithium niobate on the platform of an optical microcavity. Such SPGs are optically induced through the photorefractive effect and the subwavelength features originate from the spatial phase modulations of the pump's standing wave. The resulting SPGs lead to the mode splitting of two counter‐propagating modes inside the microcavity, exhibiting an Electromagnetically Induced Transparency (EIT)‐like transmission spectrum. Moreover, the unique subwavelength characteristic of SPGs enables first‐order quasi‐phase‐matching for backward second‐harmonic generation, a long‐standing problem in nonlinear optics. Also, free‐space‐to‐chip vertical nonlinear frequency conversion can be achieved in a similar manner. These results provide a flexible approach toward fabricating subwavelength gratings, which holds significant potential in various applications such as nonlinear frequency conversion, optical communication, sensing, and quantum technologies. [ABSTRACT FROM AUTHOR]

For the first time, flash pyrolysis was carried out to fabricate polymer derived silicon oxycarbide (SiOC) ceramics. With the application of a DC electric field at a furnace temperature of only 780 °C, the SiOC ceramics exhibit characteristics that usually have to be pyrolyzed at ∼1300 °C. Both electric field and current density accelerate the SiOC microstructure development, causing carbon and SiC phases to form at >520 °C lower pyrolysis temperatures than conventional within the SiOC matrix. With higher electric fields, the samples experience greater mass loss and linear shrinkage, while also forming more SiC and a more ordered carbon phase. The SiC formation inversely impacts the carbon content, causing a decrease in electrical conductivity. Further, reducing current density results in significant carbon precipitation without SiC formation. The fundamentals can be explained based on increased nucleation rate by the electrical field, accompanied by Joule heating and electromigration. This work is the first to demonstrate the great potential of flash pyrolysis on accelerated phase separation of polymer derived SiOC. [ABSTRACT FROM AUTHOR]

Silicon oxycarbide (SiOC) is an important polymer derived ceramic with many unique properties such as high temperature stability and amorphous-nanocrystalline mixed structures. It can be made using different processing routes. In this study, SiOC ceramics were investigated using a polysiloxane precursor crosslinked in the presence of 0, 100, 200, and 300 vol% of 3-pentanone as the solvent. The microstructure and the phase evolution during pyrolysis depend on the solvent concentration during crosslinking. The addition of pentanone facilitates the formation of nanocrystalline SiC at pyrolysis temperatures ≤1300 °C. However, the formation of SiC decreases with increasing solvent content when pyrolyzed at 1400 °C. Simply varying the solvent concentration during crosslinking provides a unique and tunable processing route for modifying the phase formation within SiOC ceramics. [ABSTRACT FROM AUTHOR]

A new kind of photovoltaic material, copper yttrium selenide (CuYSe 2 ) was synthesized using a self-propagating high-temperature synthesis method. Here the reaction process of the SHS process of CuYSe 2 has been illustrated. The crystalline structure and morphology of the CuYSe 2 powders were characterized using X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM). The band gap of the CuYSe 2 material was estimated to be 1.53 eV based on the UV–vis spectrum of the material. Thin films of CuYSe 2 were prepared using a simple, low-cost non-vacuum method. The current-voltage (I-V) behavior of CuYSe 2 photovoltaic device was determined. The I light /I dark ratio of the CuYSe 2 device was found to be 2.81, implying that CuYSe 2 is a very promising candidate for application as the absorption materials in thin film solar cells. [ABSTRACT FROM AUTHOR]

• Instance completion task considers the rationality of prediction. • Rely on prototype for a wider set of reasonable candidates. • Neighbor aggregation assists to accurately discriminating knowledge triplets. • Performance of model declines the number of neighbors exceed a threshold. Great attention has been devoted to knowledge graph completion techniques with the wide application of knowledge graph. Previous works on knowledge graph completion mainly consider predicting missing one element for given two elements in a triplet, such as (h , r , ?). However, this task lacks of reasonable consideration between entities and relations, such as (Italy , acted in , ?), which may cause the meaningless predictions. Recent attempt solves this problem by redefining a new task-instance completion, which generates and evaluates reasonable relation-tail pairs for given head entity, such as (h , ?, ?). In this work, we propose a novel P rototype A ugmented N eighbor C onstraint instance completion model called PANC, which consists of two modules- prototype filter and neighbor aggregation grader. A kind of coarse-grained information prototype is utilized in filters to generate more candidate relation-tail pairs and neighbor aggregation is introduced into grader so as to enhance entity embedding and constrain the combination between head entity and candidate pairs. The experiments show that our PANC outperforms the state-of-the-art instance completion techniques on two real-world datasets FB15k and JF17k. And the ablation results verify the effectiveness of the modules in our proposed PANC. [ABSTRACT FROM AUTHOR]

• Instance completion task considers the rationality of prediction. • Rely on prototype for a wider set of reasonable candidates. • Neighbor aggregation assists to accurately discriminating knowledge triplets. • Performance of model declines the number of neighbors exceed a threshold. Great attention has been devoted to knowledge graph completion techniques with the wide application of knowledge graph. Previous works on knowledge graph completion mainly consider predicting missing one element for given two elements in a triplet, such as (h , r , ?). However, this task lacks of reasonable consideration between entities and relations, such as (Italy , acted in , ?), which may cause the meaningless predictions. Recent attempt solves this problem by redefining a new task-instance completion, which generates and evaluates reasonable relation-tail pairs for given head entity, such as (h , ?, ?). In this work, we propose a novel P rototype A ugmented N eighbor C onstraint instance completion model called PANC, which consists of two modules- prototype filter and neighbor aggregation grader. A kind of coarse-grained information prototype is utilized in filters to generate more candidate relation-tail pairs and neighbor aggregation is introduced into grader so as to enhance entity embedding and constrain the combination between head entity and candidate pairs. The experiments show that our PANC outperforms the state-of-the-art instance completion techniques on two real-world datasets FB15k and JF17k. And the ablation results verify the effectiveness of the modules in our proposed PANC. [ABSTRACT FROM AUTHOR]

Novel series of novel 3- O -arylalkylcarbamoyl descladinosylazithromycin derivatives with the 2′- O -acetyl and 11,12-cyclic carbonate groups, the 11,12-cyclic carbonate group and the 11- O -arylalkylcarbamoyl side chain, and 2′- O -arylalkylcarbamoyl descladinosylazithromycin with the 11,12-cyclic carbonate group were designed, synthesized and evaluated for their antibacterial activity using broth microdilution method. The results showed that the majority of the target compounds showed moderate to favorable activity against six kinds of susceptible strains and almost all of them displayed significantly improved activity compared with references against three erythromycin-resistant strains of S. pneumoniae B1 expressing the erm B gene, S. pneumoniae AB11 expressing the erm B and mef A genes, and S. pyogenes R1. In particular, compound 6h exhibited the most potent activity against susceptible B. subtilis ATCC9372 (0.5 μg/mL), penicillin-resistant S. epidermidis (0.125 μg/mL), and erythromycin-resistant S. pneumoniae B1 (1 μg/mL) and S. pneumoniae AB11 (1 μg/mL), which were 2-, 2-, 256-, 256-fold better activity than azithromycin, respectively. Additionally, compounds 6f (0.5 μg/mL) and 6g (0.25 μg/mL) were the most active against S. pneumoniae A22072, which were 8- and 16-fold better activity than azithromycin (4 μg/mL). As for erythromycin-resistant S. pyogenes R1, compound 5a presented the most excellent activity (8 μg/mL), showing 32- and 32-fold higher activity than azithromycin (256 μg/mL) and clarithromycin (256 μg/mL). [ABSTRACT FROM AUTHOR]

CZTS has been considered to be a perfect suitable replacement for CuInGaSe 2 (CIGS) which contains the rare elements. This work developed a novel route to fabricate CZTS absorber films based on the integration of non-vacuum and vacuum techniques. This was illustrated by first synthesizing CZTS powder with the method of solid-phase synthesis. Then three different compound targets made of CZTS precursors and pure CZTS powder were utilized to fabricate CZTS absorber films using Radio Frequency (RF) sputtering, followed by a sulfurization process. All synthesized samples were analyzed with respect to their crystal structure, vibrational property, morphology and chemical composition. The photoelectrical properties investigation of the sulfurized absorber films by UV-VIS spectrophotometer and Hall effect measurement can well meet the requirements for potential application in thin film solar cells, demonstrating this approach had great potential for CZTS solar cell production. [ABSTRACT FROM AUTHOR]

CZTSSe is an important earth abundant collection of materials for the development of low cost and high efficiency thin film solar cells. This work developed a simple non-vacuum-based route to fabricate CZTSSe absorber films. This was demonstrated by first synthesizing Cu 2 ZnSnS 4 (CZTS) nano-crystalline based on solid-phase synthesis. Then a stable colloidal ink composed of CZTS nano-crystalline was blade coated on Mo-coated substrates followed by an annealing process under Ar atmosphere. After CZTS films formation, the films were sintered into CZTSSe absorber films by exposing them under Selenium vapor. The formation of a kesterite type CZTS was confirmed using X-ray diffraction and Raman scattering measurements. The band gap of CZTSSe absorber films was determined to be 1.26 eV, which was appropriate for use as an absorber layer in thin film solar cells. The CZTSSe absorber films showed a good photovoltatic performance, demonstrating this simple approach had great potential for CZTSSe solar cell production. [ABSTRACT FROM AUTHOR]

In this study, the oxygen evolution and corrosion behavior of Pb-MnO 2 composite anodes produced by powder pressing with low MnO 2 content (1–7 wt%) were systematically investigated in H 2 SO 4 solution and compared to pure Pb and Pb–Ag (1 wt%) anodes. Galvanostatic polarization, weight loss, and ionic equilibrium techniques were employed to evaluate the electrocatalytic activity and corrosion resistance of the composite anodes. The results demonstrated that Pb-MnO 2 composite anodes presented lower potential than that of the Pb–Ag anode during a 72 h polarization period, and the potential of composite anodes decreased as MnO 2 fraction increased. The corrosion resistance of composite anodes was higher than that of the Pb–Ag anode. The surface morphology and phase composition of the anodic layer after 72 h polarization were examined with scanning electron microscopy (SEM) and X-ray diffraction (XRD) and the results indicated that anodic layers on Pb-MnO 2 composite anodes were both thinner and denser than that of the Pb–Ag anode, confirming excellent corrosion resistance in H 2 SO 4 solution electrolysis. [ABSTRACT FROM AUTHOR]

In recent years, knowledge graph networks for recommendation have attracted extensive attention, since these methods can capture structured information by linking items with their attributes instead of using only interaction data between users and items. However, existing Graph Neural Networks Methods on Knowledge Graph suffer from over-smoothing and data sparsity, leading to the inability to build deeper networks. To address these problems, the Knowledge Graph Random Neural Networks for Recommender Systems (KRNN) is proposed. Specifically, a random dropout strategy is designed to generate the perturbed entities feature matrices. Then, a feature propagation method is proposed over the perturbed feature matrices for capturing high-order neighbor information, and locating the novel entities representation. The data augmentation matrices are generated by using the new entity representation from the previous step. The consistency regularization is designed to optimize the prediction across different data augmentation matrices in multiple random dropout. Extensive experiments on real datasets demonstrate the proposed method is superior to state of the baselines in alleviating over-smoothing and predicting user preferences, especially in data sparsity scenarios. • A knowledge graph random neural network for recommendation is proposed. • A random feature propagation framework with DropNode strategy is built. • The consistency regularization is designed to optimize the prediction. [ABSTRACT FROM AUTHOR]

Quaternary chalcogenide Cu2FeSnS4 (CFTS) thin film, a potential material for application as absorber layer in thin film solar cells (TFSCs), dye-sensitized solar cell and photocatalytic, are successfully synthesized by using a convenient blade-coating method. Alkali element Rb was incorporated into CFTS thin films in order to further improve the structure and surface morphology. X-ray diffraction, Raman spectroscopy and field emission scanning electron microscopy were used to characterize the phase purity, morphology and composition of CFTS particles and thin films. It showed that the diffusion of Rb ions is uniform in the films after sulfurization, Rb ions incorporation in CFTS thin films could improve the grain size and surface morphology. All the thin films became smooth and closely packed surface, the thickness of the incorporated films is around 1 μm. [ABSTRACT FROM AUTHOR]

Molecular docking method plays an important role on the quest of potential drug candidates, which has been proven to be a valuable tool for virtual screening. Molecular docking is commonly referred to as a parameter optimization problem. During the last decade, some optimization algorithms have been introduced, such as Lamarckian genetic algorithm (LGA) and SODOCK embedded in the AutoDock program. On the basis of the latest docking software AutoDock4.2, we present a novel docking program ABCDock, which incorporates mutual artificial bee colony (MutualABC) into AutoDock. Computer simulation results demonstrate that ABCDock takes precedence over AutoDock and SODOCK, in terms of convergence performance, accuracy, and the lowest energy, especially for highly flexible ligands. It is noteworthy that ABCDock yields a higher success rate. Also, in comparison with the other state-of-the-art docking methods, namely GOLD, DOCK and FlexX, ABCDock provides the smallest RMSD in 27 of 37 cases. [ABSTRACT FROM AUTHOR]

Abstract: 4″-Carbamate, 11,12-cyclic carbonate-4″-carbamate and 11,4″-di-O-arylcarbamoyl analogs of azithromycin were designed, synthesized and evaluated. The 4″-carbamate analogs retained excellent activity against erythromycin-susceptible Staphylococcus pneumoniae and showed improved activity against erythromycin-resistant Staphylococcus pneumoniae. Compared with 4″-carbamate analogs, 11,12-cyclic carbonate-4″-carbamate analogs exhibited improved activity against erythromycin-resistant Staphylococcus pneumoniae encoded by the mef gene or the erm and mef genes, and 11,4″-di-O-arylalkylcarbamoyl analogs showed greatly improved activity (0.25–0.5μg/mL) against erythromycin-resistant Staphylococcus pneumoniae encoded by the erm gene. Among them, the novel series of 11,4″-di-O-arylalkylcarbamoyl analogs 7a–k exhibited potent and balanced activity against susceptible and resistant bacteria. In particular, compounds 7f and 7k were the most effective against susceptible bacteria and resistant bacteria encoded by the erm gene or the mef gene. [Copyright &y& Elsevier]

Abstract: ZnO:Al thin films were deposited on glass substrates by RF magnetron sputtering from a powder compacted ceramic target. Structural, electrical and optical properties of the films with different thickness were characterized. The damp heat stability of ZnO:Al thin film was investigated for its application in thin-film solar cells. After the 1000h damp heat treatment in harsh conditions of 85% relative humidity at 85°C for all samples, a degradation of electrical properties was observed, while the transmissions of the films were almost unchanged. Thick films with a relative large grain size could form compact structure to resist the corrosion by oxygen and water molecules. [Copyright &y& Elsevier]

Abstract: The influence of the gadolinium doping on the structural features and opto-electrical properties of ZnO:Al (ZAO) films deposited by radio frequency (RF) magnetron sputtering method onto glass substrates was investigated. X-ray analysis showed that the films were polycrystalline fitting well with a hexagonal wurtzite structure and have preferred orientation in [002] direction. The Gd doped ZAO film with a thickness of 140nm showed a high visible region transmittance of 90%. The optical band gap was found to be 3.38eV for pure ZnO film and 3.58eV for ZAO films while a drop in optical band gap of ZAO film was observed by Gd doping. The lowest resistivities of 8.4×10−3 and 10.6×10−3 Ωcm were observed for Gd doped and undoped ZAO films, respectively, which were deposited at room temperature and annealed at 150°C. [Copyright &y& Elsevier]

Abstract: The degradation of 100mg/L phenol solution under ultraviolet (UV) in the presence of TiO2 and in the absence of it was analyzed with gas chromatography/mass spectrometry (GC–MS) and high performance liquid chromatography (HPLC). After 12h of degradation, the products under the two conditions were both derivatized by MSTFA and TMIS, and then analyzed by GC–MS. The results show the main intermediates are the same. They are hydroquinone, resorcinol, catechol, 1,2,3-benzenetriol, (E)-2-butenedioic acid, 2-hydroxy-propaldehyde, glycerol, 3-hydroxy-propyl acid, and hydroxy-acetic acid. The chromatogram given by HPLC indicates that the presence of TiO2 is not in favor of the degradation when the concentration of phenol is 100mg/L; its catalysis becomes evident when the concentration gets lower. Based on the intermediates, it can be proved that besides lyph name="rad" />H is also an important active free radical in the degradation. [Copyright &y& Elsevier]

Abstract: Although protein histidine phosphorylation is estimated to account for about 6% of total protein phosphorylation in eukaryotes, knowledge on histidine phosphorylation and dephosphorylation is still limited. Recently, a few reports have appeared on a mammalian 14-kDa phosphohistidine phosphatase, also named protein histidine phosphatase. Molecular cloning of the protein has opened possibilities for exploring its properties and physiological role. In the present work, we have searched for potential active site residues in the human phosphohistidine phosphatase by point mutations of conserved histidine and arginine residues to alanine. When assayed by the phosphohistidine-containing peptide succinyl-Ala-His(P)-Pro-Phe-p-nitroanilide, mutants H53A and H102A showed no detectable activity. Compared to the wild-type recombinant enzyme, the specific activity of mutant R45A was decreased by one order of magnitude, that of mutant R78A was decreased by about 30%, while that of mutant H81A was essentially unchanged. These results will facilitate future studies of the reaction mechanism, substrate binding, and molecular structure of the phosphohistidine phosphatase. [Copyright &y& Elsevier]

l Impact of low temperature and charge profile on lithium battery is studied. l High charge rate could aggravate degradation under low temperature cycling. l Non-invasive and post-mortem analysis are used to identify the aging mechanism. In this paper, the low temperature performance of lithium-ion batteries under various charge rates ranged from 0.2 C to 1 C were studied. To shed some light on the degradation modes and aging mechanism, non-invasive and post-mortem analysis were adopted. The results reveal that there is a considerable reversible capacity loss and internal resistance increase with the increase in charge rate. Particularly, the relative capacity of 1C charged cell after 150 cycles is below 0.8, indicating the end of life is achieved. In addition, the increased internal resistance will lead to a substantial increase in heat generation rate, which is an important factor to the thermal safety control of battery related to the design of thermal management strategy. Besides the resistance increase, two major degradation modes i.e., loss of lithium inventory and loss of active material are demonstrated according to the differential voltage and incremental capacity analysis. It is found that lithium plating is regarded as the main aging mechanism. The anode material of cycled cell display distinct deterioration even exfoliated from the copper foil upon a macroscopic check, and a thick deposited layer morphology and cracking of the layer is visible from a micro point of view through cell opening. During the low temperature charging, lithium plating could be triggered due to the limitation of charge transfer resulted from high-rate charge as well as the limitation of solid-state diffusion resulted from low temperature. The continuous lithium-consuming during cycling will lead to secondary SEI formation, which may result in dead lithium and stripping, eventually reversible capacity loss. [ABSTRACT FROM AUTHOR]

Ti-6Al-4V(TC4)/Ti-48Al-2Cr-2Nb(TiAl) functionally graded material (FGM) with no metallurgical defects was successfully fabricated by laser deposition melting (LDM) without preheating. Results showed that the TC4/TiAl FGM can effectively reduce the difference in thermal expansion coefficients (TEC) between TC4 and TiAl, thereby eliminating cracks, and ideal metallurgical bonds were obtained throughout the FGM. The microstructure changed from basket to lamellar as the composition transiting from TC4 to TiAl, and the phase transformation evolution is α→α+α 2 →α 2 +γ+B2. The FGM showed a quasi-cleavage fracture with the ultimate tensile strength of 308 MPa and the elongation of 1.8%, and the fracture surface was located at 100%TiAl. • TC4/TiAl FGM without cracks or metallurgical defects was successfully fabricated by LDM technology. • FGM can effectively reduce the crack sensitivity between TC4 and TiAl. • The phase evolution of the FGM from TC4 to TiAl were α.→α+α 2 →α 2 +γ+B2. [ABSTRACT FROM AUTHOR]

Coal is often coated by coal kaolinite in flotation, resulting in an increase in concentrate ash. The natural hydrophilicity of minerals is the key factor to determining its flotation behavior. The results of studies on the contact angle of non-coal kaolinite and coal kaolinite samples found that the contact angle of coal kaolinite was bigger than that of non-coal kaolinite and the hydrophilicity of the latter was stronger. To investigate the mechanism of the hydrophilic difference between non-coal kaolinite and coal kaolinite, the adsorption of a single water molecule on non-coal kaolinite and coal kaolinite (100) and (00 1 ¯ ) surfaces was calculated with the first principle method of the density functional theory (DFT). The calculation results showed that hydrogen bonds were formed between the hydrogen atom and the oxygen atom of the surface and the hydrogen atom and the oxygen atom of the water molecule after the water molecule was adsorbed on the kaolinite (100) and (00 1 ¯ ) surface. The adsorption process of water molecules on the kaolinite surface was physical adsorption with Van der Waals force existing between them. Regardless of whether the kaolinite (001) surface or the kaolinite (00 1 ¯ ) surface was doped with a carbon atom, the adsorption of a single water molecule was weakened, with a weaker hydrogen bond formed. The calculated results explained the difference of hydrophilicity between non-coal kaolinite and coal kaolinite samples from the molecular and atomic viewpoint. [ABSTRACT FROM AUTHOR]

Coal is often coated by kaolinite in flotation, leading to a decrease in the quality of clean coal. The structure of the mineral determines its properties and flotation behavior. Therefore, to remove the kaolinite from coal efficiently, the difference in mineralogical characteristics between non-coal and coal kaolinite were analyzed using advanced instruments. The experiment results showed that, due to the substitution of the C atom for Si atom, the interplanar spacing of the kaolinite (001) surface became small with C-O-C, Al-O-C, and C-O-Si covalent bonds formed instead of Al-O-Si and Si-O-Si bond. Based on this, the models of monolayer and bilayer coal kaolinite (001) surfaces were built and the structure difference was compared through DFT calculation. The calculation results showed that the silicon atom of the kaolinite Si-O-(001) surface was easier to be doped by carbon atoms with external energy as the interplanar spacing of the kaolinite (001) surface decreased with the increase in doped carbon atoms (7.15440 Å→7.11859 Å→7.10902 Å→7.10105 Å). The structural difference between non-coal kaolinite and coal kaolinite were compared from the view of the experiment and quantum chemistry, which provides an important theory for subsequent research on the properties of coal kaolinite and its further processing and utilization. [ABSTRACT FROM AUTHOR]

Ti6Al4V (TC4)/Ti48Al2Cr2Nb (TiAl) functionally graded materials (FGM) is the premium material for aero-engine turbine blisk in which TC4 and TiAl were used as blades and disks, respectively, and has wide application prospect. In this work, TC4- x TiAl (x = 20%, 40%, 60%, 80% wt%) alloys without metallurgical defects were fabricated by laser melting deposition (LMD) from mixtures of TC4/TiAl powders. The influence of TiAl content on microstructure morphology, phase composition, and tensile properties was systematically studied in detail and a composition-microstructure-property relationship was simultaneously set up. The microstructure gradually transformed from basket weave structure to lamellar structure, accompanying with the formation of α 2 , γ, and B2 with increasing TiAl contents. In addition, a series of phase transformations occurred in these alloys: β → α, α → α 2 , and α 2 → γ. The addition of TiAl can reduce the tensile properties at room temperature (RT), the TC4-20%TiAl alloy has the highest ultimate tensile strength (UTS) (1083 MPa) and elongation (4.60%). Compared to other alloys, the TC4-60%TiAl alloy exhibited the best tensile property at 650 °C and 750 °C, the UTS of which was 572 MPa and 562 MPa, respectively. The tensile properties at RT and high-temperature are strongly dependent on phase composition. The formation of α 2 and γ intermetallic compounds can improve the thermal stability, but reduce the room-temperature strength and plasticity. In particular, the γ phase is more stable than the α 2 phase at high temperatures. • Ti6Al4V-Ti48Al2Cr2Nb alloys without metallurgical defects were fabricated by LMD from mixed powders. • Microstructure transformed from basket weave structure to lamellar structure as TiAl content increased. • The tensile properties at room and high temperatures are strongly dependent on phase composition. [ABSTRACT FROM AUTHOR]

• Using the V interlayer, a metallurgical defect-free TiAl/TC4 BS has been successfully fabricated by LAM technology. • The V interlayer was very effective in reducing the formation of brittle α 2 phase in the TiAl/TC4 BS. • Tensile results showed that the V interlayer is an effective joining method for TC4/TiAl BS. As a potential candidate material, Ti6Al4V (TC4)/Ti48Al2Cr2Nb (TiAl) bimetallic structure (BS) material has a good development prospects in the field of aerospace engineering, and has a broad application prospects for the integrated manufacture of aero-engine turbine blades (TiAl) and turbine disks (TC4). However, via the direct bonding of TC4/TiAl BS, it is easy to produce brittle intermetallic compounds which increases the crack sensitivity. Therefore, to a certain extent, the application of TC4/TiAl BS is limited. In this study, we use laser additive manufacturing (LAM) technology to prepare the TC4/TiAl BS via a V interlayer, which further limits the formation of a brittle phase. The experimental results show that the V interlayer can effectively limit the formation of the brittle phase (Ti 3 Al), which reduces the crack sensitivity of the formed parts, and forms a good metallurgical joint at the TC4/TiAl BS interfaces. Results of room temperature tensile tests reveal that the tensile strength and elongation of the BS specimens are ~476 MPa, and ~2.8% respectively, which means that the strength of the joint exceeded that of the deposited TiAl alloy without the V interlayer. [ABSTRACT FROM AUTHOR]

In the two-step spin-coating method, the crystallization and morphology of PbI 2 film are essential for producing highly efficient and stable planar heterojunction (PHJ) perovskite solar cells. In this work, the dithizone (DTZ) molecules were introduced into PbI 2 precursor to improve the performance of perovskite films. We found that adding DTZ was an effective method to retard the crystallization of PbI 2 film and consequently, produced a high-quality perovskite film with pinhole-free, smoother, and fewer defects surface. Most importantly, the presence of residual DTZ in wet PbI 2 film also assisted DMSO to slow down the growth of perovskite grains. By tuning the concentration of DTZ, the power conversion efficiency of the best performed cell has increased to 20.66% with negligible photocurrent hysteresis. Meanwhile, the best DTZ device offer an excellent stability, which retained 97% of the initial PCE after storage in the dark for approximately 24 days. We expect this controlled crystallization method could be further explored and provides a useful strategy to improve the performance of perovskite solar cells. • Dithizone was firstly applied to the planar heterojunction perovskite solar cells. • The dithizone film could retard the crystallization of PbI 2 and assist DMSO to slow down the nucleation of perovskite. • The best performed device with DTZ-1 showed PCE of 20.66% and high stability. [ABSTRACT FROM AUTHOR]

Knowledge graph link prediction is crucial for constructing triples in knowledge graphs, which aim to infer whether there is a relation between the entities. Recently, graph neural networks and contrastive learning have demonstrated superior performance compared with traditional translation-based models; they successfully extracted common features through explicit linking between entities. However, the implicit associations between entities without a linking relationship are ignored, which impedes the model from capturing distant but semantically rich entities. In addition, directly applying contrastive learning based on random node dropout to link prediction tasks, or limiting it to triplet-level, leads to constrained model performance. To address these challenges, we design an implicit feature extraction module that utilizes the clustering characteristics of latent vector space to find entities with potential associations and enrich entity representations by mining similar semantic features from the conceptual level. Meanwhile, the subgraph mechanism is introduced to preserve the structural information of explicitly connected entities. Implicit semantic features and explicit structural features serve as complementary information to provide high-quality self-supervised signals. Experiments are conducted on three benchmark knowledge graph datasets. The results validate that our model outperforms the state-of-the-art baselines in link prediction tasks. [ABSTRACT FROM AUTHOR]

Electrodeposition of cuprous oxide thin film is becoming a more and more important method, but higher content of Cu2+ and uneven grain size in cuprous oxide thin films fabricated by direct current (DC) electrodeposition lead to serious reduction of transmission and electron transport capacity of the films. To solve these problems, bidirectional pulse electrodeposition (BPD) was applied in this paper to prepare cuprous oxide thin films and the variety on the photo-electrical properties has been presented. The results indicated that grain uniformity of films fabricated by BPD was improved significantly, the grain size distribution range reduced from 5–50 nm to 10–30 nm, the roughness of the films decreased from 5.83 to 5.26 nm, and the proportion of Cu+ in the resulted films increased from 59.21 to 69.61%. The transmittance of films at 550 nm increased from 65.21 to 70.17%, and the surface resistances of the resulted films decreased from 15.7–18.1 to 10.9–11.7 Ω. This method provided a basis for the production of higher-purity and higher-performance thin Cu2O films. [ABSTRACT FROM AUTHOR]

To investigate the effect of carbon defects on the hydrophilicity of the whole surface of the coal pyrite, the adsorption of the single H2O molecule at different sites of the coal pyrite surface was studied with the DFT calculation. It was found that, like the ideal pyrite, the single H2O molecule can stably adsorb at the doping-position, the ortho-position and the meta-position of the coal pyrite. The covalent bond and anti-bond were formed between O (water molecule) and Fe (the coal pyrite) through the Fe 3d orbital and O 2p orbital. Meanwhile, the S–H bond was replaced by the C–H bond. But away from the carbon defect centre, the adsorption of the single H2O molecule increased gradually and the Fe–O covalent bond strength between the single H2O molecule and the pyrite strengthened, which eventually became close to that of the undoped coal pyrite surface. [ABSTRACT FROM AUTHOR]

The products of S-SCR grinding and alkali treatment (S-SCR-T, primarily consisting of anatase TiO 2 with a size less than 20 nm) were utilized as photocatalysts, while SiO 2 microspheres (MS-SiO 2) were used as carriers. A TiO 2 composite photocatalyst (M-Si/SR-Ti) was prepared by wet mechanical grinding. The results demonstrate that in M-Si/SR-Ti, S-SCR-T was uniformly loaded on the MS-SiO 2 surface in a well-dispersed state and firmly bonded at the interface with Si–O–Ti bonds. M-Si/SR-Ti prepared under optimized conditions exhibited excellent photocatalytic degradation and recycling properties for methyl orange. The degradation rate of methyl orange solution at 10 ppm for 60 min under UV irradiation was 97%, which was comparable to that of S-SCR-T, and remained unchanged after four cycles of recycling. Compared with S-SCR-T, M-Si/SR-Ti exhibited significantly improved settlement recovery performance in water. The loading of S-SCR-T on the MS-SiO 2 surface, which increased the exposure of the nano-TiO 2 active site and decreased the energy gap, was the mechanism responsible for improving the photocatalytic performance of M-Si/SR-Ti. This study positively impacted the effort to efficiently utilize and increase the value of S-SCR and reduce the cost of the photocatalyst. [ABSTRACT FROM AUTHOR]

Percutaneous transforaminal endoscopic discectomy (PTED) has steep learning curves and a high incidence of complications, but currently, efficient and economical training methods are lacking. This study aimed to validate a novel simulator for PTED. The simulated PTED included puncturing and establishing the working channel (PEWC) and endoscopic discectomy, with the PEWC being the tested module. Eleven experts and 21 novices were included and introduced to the simulator and tasks; all participants completed the PEWC. Outcomes included: total operation time, number of fluoroscopy for positioning the working sheath, number of spinal risk region invasion, Global Rating Scale (GRS) and a modified GRS, etc. The Mann-Whitney U test was used to compare 2 groups. Spearman's correlation coefficient analyzed continuous variables. Experts outperformed novices in total operation time (P = 0.001), requiring fewer number of fluoroscopies for positioning the working sheath (P = 0.003). Additionally, experts had a lower number of spinal risk region invasions (P = 0.016) and higher scores on both the GRS (P < 0.001) and modified GRS (P < 0.001). PTED experience correlated with GRS scores (P = 0.001) and modified GRS (P < 0.001). The overall realism scored a median of 4 (3.75–5), and educational value had a median of 4 (range 3–5). This study demonstrates the validity of the novel simulator, revealing significant associations between PTED experience and performance metrics in a simulated PEWC setting. Furthermore, the PEWC module also offers a good realistic design and high education value according to experts. [ABSTRACT FROM AUTHOR]

Ni3Si2O5(OH)4 rods (NS) were synthesized via a hydrothermal method, employing natural wollastonite as a template. The hierarchical Ni3Si2O5(OH)4 rods exhibited vertically oriented nanosheets, resulting in a substantial increase in the specific surface area (from 2.24 m2/g to 178.4 m2/g). Subsequently, a CdS/Ni3Si2O5(OH)4 composite photocatalyst (CdS/NS) was prepared using a chemical deposition method. CdS was uniformly loaded onto the surface of the Ni3Si2O5(OH)4 nanosheets, successfully forming a heterojunction with Ni3Si2O5(OH)4. The CdS/NS photocatalyst in the presence of lactic acid as a sacrificial agent demonstrated an impressive H2 production rate of 4.05 mmol h−1 g−1, around 40 times higher than pure CdS. The photocorrosion of CdS was effectively solved after loading. After four cycles, the performance of CdS/NS remained stable, showing the potential for sustainable applications. After photoexcitation, electrons moved from Ni3Si2O5(OH)4 to the valence band of CdS, where they interacted with the holes via an enhanced interface contact. Simultaneously, electrons in CdS transitioned to its conduction band, facilitating hydrogenation. The enhanced performance was attributed to the improved CdS dispersion by Ni3Si2O5(OH)4 loading and efficient photogenerated carrier separation through the heterojunction formation. This work provides new perspectives for broadening the applications of mineral materials and developing heterojunction photocatalysts with good dispersibility and recyclability. [ABSTRACT FROM AUTHOR]

Interfacial engineering has been widely recognized as among the most effective approaches to deriving high performance perovskite solar cells (PSCs). [6,6]-phenyl-C61-butyric acid methyl ester (PC 61 BM) and silver (Ag) were extensively used as the electron transport material and cathode material in the inverted device. However, the energy level mismatch between PC 61 BM and Ag cathode has a possibility to severely affect the electron extraction and transportation. Hereby, only alcohol-soluble carbon dots (CDs) were synthesized and applied as a cathode interlayer (CIL) through a simple solution-process to make alteration to the interface between PC 61 BM and Ag in inverted PSCs, the PC 61 BM/CDs layer was generated with low trap-state density, high electrical conductivity, high electron mobility and appropriate energy level. Finally, the inverted device with the CDs CIL exhibited a power conversion efficiency (PCE) of 17.34% with the steady-state output PCE reaching 16.96%. The stability of devices was also enhanced due to the hydrophobicity of the CDs cathode interlayer. The efficiency of inverted PSCs with PC 61 BM/CDs layer remained 70% of the initial PCE under dry condition after 40 days versus only 20% of the initial PCE for the PCBM ETL without CDs. Image 1 • Only alcohol-soluble carbon dots (CDs) were synthesized and applied as a cathode interlayer (CIL). • The energy level mismatch between PC61BM and Ag cathode was improved. • Electrical conductivity and trap-state density were tested. • The performance and stability of the device with CDs was enhanced. [ABSTRACT FROM AUTHOR]

Macrolides are widely prescribed in clinic to treat various respiratory tract infections. However, due to their inappropriate use, the prevalence of macrolide-resistant strains among clinical isolates has become a concern for public health. Therefore, novel macrolides skeleton structures against resistant pathogens are badly needed. Thus, three series of novel 15-membered 11a-azahomoclarithromycin derivatives (series A-C) with the 1, 2, 3-triazole side chain were designed and synthesized through creatively opening the ring of clarithromycin (CAM), expanding the ring properly and introducing a suitable side chain of 1, 2, 3-triazole at the C12 and C13 positions, and evaluated for their antibacterial activity. The antibacterial results indicated that compounds 38b , 38l and 38v possessed strong antibacterial activity against Staphylococcus aureus ATCC25923 (0.25 μg/mL) and Bacillus subtilis ATCC9372 (0.25 μg/mL). Furthermore, compounds 9e and 38g were found to exhibit promising potent activity (8 μg/mL) against Streptococcus pneumonia AB11 expressing the erm B and mef A genes. In addition, the determination of minimum bactericidal concentration (MBC) indicated that the most promising compounds 38b , 38l , 38v , 9e and 38g were excellent bacteriostatic agents. The bactericidal curve showed that 9e exhibited antibacterial activity through bacteriostatic mechanism. Finally, 38b , 38l and 38v were confirmed to be non-toxic to MCF-7 breast cancer cells up to a concentration of 32 μg/mL in preliminary cytotoxicity assay. In summary, 38b , 38l , 38v , 9e and 38g can be served as lead compounds to provide a new perspective for further structural optimization. Image 1 • Three series of 11a-azahomoclarithromycin derivatives were designed and synthesized. • They were evaluated for their biological activities. • 9e had the most potent activity against resistant bacteria. • 38b had the most potent activity against sensitive bacteria. • The SARs of 11a-azahomoclarithromycin derivatives were illuminated in detail. [ABSTRACT FROM AUTHOR]

• Hexadecyl trimethyl ammonium Bromide was introduced into PEDOT:PSS. • The work function of PEDOT:PSS was tuned from −4.18 to −4.21 eV. • The PCE of the device was improved from 10.21% to 12.53% with the V oc increased. • The long-term stability of the device with CTAB has been modified. The power conversion efficiency (PCE) reported for the inverted perovskite solar cells (PSCs) is still less than that of the regular structure, and low open circuit voltage (V oc) is one of the crucial problems for achieving high PCE in inverted PSCs. In this study, a new modification strategy was developed by doping poly (3,4-ethylenedioxythiophene)-poly-(styrene sulfonate) (PEDOT: PSS) with the cetyl trimethyl ammonium bromide (CTAB) to passivate the bottom of perovskite layer and enhance properties of PEDOT:PSS. The work function of PEDOT: PSS was altered from −4.18 to −4.21 eV, the Fermi level of CTAB-doped PEDOT:PSS better fitted to the valence band of perovskite layer, thereby leading to a higher build-in voltage. As a result, the V oc increased by 70 mV, up to 0.90 V and the PCE of the device increased from 10.21% to 12.53%. Furthermore, the device based on CTAB-doped PEDOT:PSS still retained over 75% of the initial PCE after exposing the device in the ambient condition (20–40% humidity, 10–30 ℃) for 30 days. [ABSTRACT FROM AUTHOR]

In photothermal therapy (PTT) and chemodynamic therapy (CDT) of cancer, poor performance of nanoagents severely impaired the therapeutic effect of cancer. To solve the problem, we proposed and constructed a novel Mn doped Cu 7 S 4 phothermal nanoagent both in the first near-infrared (NIR-I) and the second near- infrared (NIR-II) windows in this work, which exhibited high photothermal conversion efficiency of 40.3% at 808 nm (NIR-I window) and 33.4% at 1064 nm (NIR-II window), as well as outstanding pH-sensitive catalytic performance (peroxidase-like catalytic activity and Fenton-like catalytic activities). The as-prepared Mn doped Cu 7 S 4 could be used to load chemotherapy drug doxorubicin (DOX) after modified by folic acid. Both in vitro and in vivo studies indicated that it could be used as nanoagent for chemodynamic therapy (CDT)/photothermal therapy (PTT)/ chemotherapy of cervical carcinoma. This study thus provided an NIR-I/NIR-II/pH responsive nanoagent for potential synergistic therapy of deep-seated tumors. [ABSTRACT FROM AUTHOR]

Zr-containing silica residue (Zr-s-r) is waste residue discharged during the industrial production of ZrOCl2. Its purified product (Zr-s-r-P) can be used as an adsorbent whose main component is amorphous SiO2. Herein, Pb(NO3)2 solution was used as wastewater containing Pb 2 + . The adsorption of Pb 2 + in water by Zr-s-r-P and its mechanism were studied. The results showed that the adsorption effect was affected by the initial concentration of Pb 2 + in the solution, pH, and adsorption time. The adsorption capacity of Zr-s-r-P to Pb 2 + was 45.3 mg/g under the optimized conditions (25∘C, pH=6, Zr-s-r-P dosage of 2 g/L, and adsorption time of 25 min). The process of adsorption fits the pseudo-second-order model, and the isothermal adsorption fits the Langmuir adsorption model. Pb 2 + was adsorbed in the pores of Zr-s-r-P. Moreover, the adsorption of Pb 2 + by ZSR-P was achieved through the reaction between Si–OH on the surface of SiO2 and Pb 2 + hydroxyl compounds. [ABSTRACT FROM AUTHOR]

Abstract In this paper, we introduce several kinds of volatile anti-solvents to prepare a fully-reacted perovskite film, thereby obtaining a high-efficiency solar cell. The volatility of the solvent strongly influences the uniformity and porosity of the PbI 2 film, and thus affects the uniformity and compactness of the obtained perovskite film. Scanning electron microscopy (SEM) revealed that the perovskite film fabricated by the ethanol treatment method was very dense and exhibited a smoother surface. At the same time, the compositions of the perovskite films produced using different volatile solvents were determined via X-ray diffraction (XRD), and it was found that the film fabricated by the ethanol treatment method completely reacted with no residual PbI 2. The ethanol treated sample was characterized by UV–vis spectroscopy and current density-voltage (J-V) measurements, and the best absorbance, a fill factor of 0.73, short circuit current density, J sc , of 22.1 mA cm-2, an open circuit voltage, V oc , of 1.04 V and a photoelectric conversion efficiency, PCE, of 16.8% were obtained. Graphical abstract Image 1 Highlights • Conventional method produces residual PbI 2. • Residual PbI 2 deteriorates solar cell photoelectric performance. • Ethanol removes residual PbI 2. [ABSTRACT FROM AUTHOR]

Cesium and rubidium are highly-priced rare alkaline elements that are quite difficult to separate from each other. In this paper, Cs+ was successfully separated from co-existing solutions of Cs+, Rb+ and K+ in the form of Cs 3 Bi 2 I 9 precipitation. The effects of various factors (pH value, Bi3+/Cs+ molar ratio, reaction time, and decomposition temperature) on the separation ratio of Cs+ were explored. The results showed that the maximum recovery of Cs+ was 98.55% from the solution with a Cs/Rb ratio of 1.28. The content of Rb+ in Cs 3 Bi 2 I 9 was 0.189%, indicating that the method can effectively separate rubidium and cesium from each other. The separation factor of cesium-rubidium was 85. By subsequent vacuum thermal decomposition, Cs 3 Bi 2 I 9 was directly converted to CsI and BiI 3. The purity of CsI was greater than 99.00%, and BiI 3 was recycled back to produce Cs 3 Bi 2 I 9. This process has the advantages of low cost, short process, environment-friendly, and simple operation. [Display omitted] Separation of cesium and rubidium from each other was achieved by Cs 3 Bi 2 I 9 precipitation. The highest recovery of Cs was 98.55% and the separation factor of cesium-rubidium was 85. Cs 3 Bi 2 I 9 was directly converted to CsI and BiI 3 by vacuum thermal decomposition. The purity of CsI was greater than 99.00% and BiI 3 was recycled back to produce Cs 3 Bi 2 I 9. [ABSTRACT FROM AUTHOR]

Novel fluorine doped TiO 2 /diatomite (F-T/DE) composites with visible-light responding activity were fabricated through a facile sol-gel method in this study. The as-synthesized F-T/DE-1.0% (1.0% fluorine content) composite exhibited enhanced photocatalytic activity in degrading rhodamine B (RhB) under visible-light illumination, the reaction rate constant of which was nearly up to 4.4 times and 26.1 times higher than that of F-T-1.0% (fluorine doped TiO 2 with 1.0% content) and pure TiO 2 , respectively. It is indicated that the anatase TiO 2 nanoparticles were firmly and homogeneously loaded on the surface of diatomite and fluorine ions were successfully incorporated into the lattice of TiO 2 . In addition, the construction of composite can effectively promote the generation of oxidative radicals and reduce the recombination probability of photogenerated electron-hole pairs and thus contribute to the enhancement of photoactivity under visible light. The enhanced photocatalytic activity of F-T/DE can be attributed to the fluorine doping induced oxygen vacancies and much more exposed highly active (001) facets, as well as the carrier effect (smaller grain size, well distribution and enhanced adsorption ability). [ABSTRACT FROM AUTHOR]

Aim: Interleukin-17 (IL-17) can accelerate the release of many pro-inflammatory cytokines. The purpose of our study was to investigate the potential association between polymorphisms in the IL-17 gene and susceptibility to hepatitis B virus (HBV) infection in the Han Chinese population. Methods: We recruited 596 HBV-infected patients and 612 ethnically matched controls, who were then genotyped for the IL-17A and IL-17F polymorphisms, rs2275913 and rs763780, respectively, by using TaqMan probe-based real-time polymerase chain reaction. The frequencies of the alleles and genotypes in patients and controls were compared by the χ2 test. Results: Statistically significant differences in genotypic and allelic frequencies were revealed at both polymorphic sites between HBV-positive patients and controls (rs2275913: genotype χ2 = 37.74, p < 0.001 and allele χ2 = 22.17, p < 0.001, odds ratio [OR] = 0.654, 95% confidence interval [CI] = 0.548-0.781. rs763780: genotype χ2 = 19.80, p < 0.001 and allele χ2 = 18.78, p < 0.001, OR = 0.507, 95% CI = 0.371-0.692). Conclusions: These results indicate that the IL-17A rs2275913 and IL-17F rs763780 polymorphisms are associated with HBV infection in the Han Chinese population. We conclude that possession of the GG genotype and the G allele at rs2275913, and the TT genotype and the T allele at rs763780 might increase the risk of HBV infection. Larger-scale, multiracial studies are necessary to evaluate the role of IL-17 polymorphisms in relation to an enhanced risk of HBV infection. [ABSTRACT FROM AUTHOR]