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Stepwise photopolymerization is a miraculous strategy modulating the polymer skeleton and electro-optical properties of light modulators based on liquid crystal/polymer composites. However, owing to the indistinct polymerization mechanism and curing condition discrepancy, the required polymer structures and electro-optical properties are hard to be controlled precisely. Herein, a novel polymer-stabilized liquid crystal film based on acrylate/epoxy resin is proposed, fabricated and the relationships between preparation process, polymer content, polymer morphology and electro-optical properties are studied. The in-situ photopolymerization of acrylate/epoxy resin liquid crystalline polymer is fulfilled using cation photo-initiator UV 6976. The distinct photopolymerization speed between acrylate and epoxy resin benefits the polymer morphology control, and with accurate containment of the polymerization process and polymer composition, the superior electro-optical properties at a higher polymer content are acquired. The polymer morphology and electro-optical properties are influenced by the polymer content and mass ratio between acrylate and epoxy resin. The best electro-optical properties among samples are attained by controlling the mass ratio between acrylate and epoxy resin to 1:1, integrating higher densities of scattering centers and lower anchoring effect. With higher polymer content, the strategy of increasing the mass ratio of E6M benefits the improvement of E-O properties for alleviating polymer density. This work provides insights to stepwise polymerization of liquid crystalline monomers and offers a fancy strategy for the preparation of novel liquid crystal dimming films. [ABSTRACT FROM AUTHOR]

In recent years, there has been significant growth in location-based services (LBSs) and applications. These services empower users to transmit their location data to location service providers, thereby facilitating the provisioning of pertinent resources and services. However, in order to prevent malicious users from sending fake location data, users must attest to their location for service providers, namely, through a proof of location (PoL). Such a proof should additionally prevent attackers from being able to obtain users' identity and location information through it. In this paper, we propose an efficient privacy-preserving proof of location (PPPoL) scheme. The scheme is based on the standard cryptographic primitives, including Group Time-based One-Time Password (GTOTP) and public key encryption, which achieves entity privacy, location privacy, and traceability. Unlike the previous GTOTP-based PPPoL scheme, our scheme enables instant location verification with additional hash operations. To encourage the active participation of witnesses in location proofs, we propose an incentive mechanism based on smart contracts. Additionally, we implement a proof of concept of our PPPoL scheme on an Android device. Our experimental results show that proof generation and verification time are on the order of milliseconds. Meanwhile, the total overhead for the incentive mechanism amounts to 0.0011 ETH. This result is practical for mobile device-based LBSs. [ABSTRACT FROM AUTHOR]

We previously discovered WS-6 as a new antidepressant in correlation to its function of stimulating neurogenesis. Herein, several different scaffolds (stilbene, 1,3-diphenyl 1-propene, 1,3-diphenyl 2-propene, 1,2-diphenyl acrylo-1-nitrile, 1,2-diphenyl acrylo-2-nitrile, 1,3-diphenyl trimethylamine), further varied through substitutions of twelve amide substituents plus the addition of a methylene unit and an inverted amide, were examined to elucidate the SARs for promoting adult rat neurogenesis. Most of the compounds could stimulate proliferation of progenitors, but just a few chemicals possessing a specific structural profile, exemplified by diphenyl acrylonitrile 29b, 32a, and 32b, showed better activity than the clinical drug NSI-189 in promoting newborn cells differentiation into mature neurons. The most potent diphenyl acrylonitrile 32b had an excellent brain AUC to plasma AUC ratio (B/P = 1.6), suggesting its potential for further development as a new lead. [ABSTRACT FROM AUTHOR]

To clarify the copyrights of 3D models of oblique photography (3DMOP) and guarantee their security, a novel security protection scheme of 3DMOP was proposed in this study by synergistically applying digital watermarking and data encryption. In the proposed scheme, point clouds were clustered first, and then the centroid and feature points of each cluster were calculated and extracted, respectively. Afterward, the watermarks were embedded into the point clouds cluster-by-cluster, taking distances between feature points and centroids as the embedding positions. In addition, the watermarks were also embedded using texture coordinates of 3DMOP to further enhance the robustness of the watermarking algorithm. Furthermore, Arnold transformation was performed on texture images of 3DMOP for security protection of classified or sensitive information. Experimental results have verified the strong imperceptibility and robustness of the proposed watermarking algorithm, as well as the high security of the designed data encryption algorithm. The outcomes of this work can refine the current security protection methods of 3DMOP and thus further expand their application scope. [ABSTRACT FROM AUTHOR]

The safety and stability of a wind turbine is determined by the health condition of its gearbox. The temperature variation, compared with other characteristics of the gearbox, can directly and sensitively reflect its health conditions. However, the existing deep learning models (including the single model and the hybrid model) have their limitations in dealing with nonlinear and complex temperature data, making it challenging to achieve high-precision prediction results. In order to tackle this issue, this paper introduces a novel two-phase deep learning network for predicting the temperature of wind turbine gearboxes. In the first phase, a one-dimensional convolutional neural network (1DCNN) and a bidirectional long short-term memory (BiLSTM) network are separately trained using the same dataset. The two pre-trained networks are combined and fine-tuned to form the 1DCNN-BiLSTM model for the accurate prediction of gearbox temperatures in the second phase. The proposed model was trained and validated by measured datasets from gearboxes from an existing wind farm. The effectiveness of the model presented was showcased through a comparative analysis with five traditional models, and the result has clearly shown that the proposed model has a great improvement in its prediction accuracy. [ABSTRACT FROM AUTHOR]

A polymer-stabilized liquid crystal (PSLC) device has been a promising candidate in several scenarios like smart vehicle windows and glass curtain walls in recent years due to its remarkable features like a fast switch from the initial transparent state to the scattering state with a rather low driving voltage, high transmittance at off-state, and broad viewing angle. The electro-optical characteristics of PSLC devices are determined by the synergistic attributions of liquid crystal (LC) molecules and the influence of the polymer network exerted on the movement of LC molecules. A systematic study of the influence of the polymer network on the movement of LC molecules is conducted, with the polymer network formed by methoxy/cyano/carboxyl monomers and diacrylate C6M. The polymer network morphology of PSLC film is greatly affected by the molecular structures and content of monoacrylic monomers. Additionally, the electro-optical performance and peel strength of PSLC films could be improved by modulating the molecular structures and morphology of polymer networks. PSLC devices containing carboxyl monomers show enhanced electro-optical performance and peel strength due to their directional filiform topology. This study might provide guidance for optimizing the performance of PSLC devices and establishing the relationship between the molecular structure, polymer network morphology, and electro-optical performance of reverse-mode dimming films. [ABSTRACT FROM AUTHOR]

Polymer-dispersed liquid-crystal (PDLC) films have wide applications in light shutters, smart windows for cars and buildings, dimming glasses, and smart peep-proof films due to their switchable optical states under electrical fields as well as large area processibility. They are usually prepared with liquid crystals (LCs) and non-liquid crystalline monomers (NLCMs). Introduction of liquid crystalline monomers (LCMs) into PDLCs might spark new functionality or high-performance devices such as polymer-dispersed and -stabilized liquid crystals. In this study, the effect of molecular structures and doping concentrations of acrylate LCMs on the electro-optical properties and micro-structures of PDLC films is systematically studied. The pore size of polymer networks and the driving voltage of the PDLC films are affected by the molecular polarity and degree of functionality of the LCMs. The electro-optical properties of the PDLC films are affected by the synergistic influence of molecular structure of LCMs and micro-structures of PDLCs. These results might provide the experimental and theoretical basis for constructing the relationship between the molecular structure of LCM, micro-structure and electro-optical response of PDLC films. [ABSTRACT FROM AUTHOR]

We developed a microfluidic chip integrated with nucleic acid purification and droplet-based digital polymerase chain reaction (ddPCR) modules to realize a 'sample-in, result-out' infectious virus diagnosis. The whole process involved pulling magnetic beads through drops in an oil-enclosed environment. The purified nucleic acids were dispensed into microdroplets by a concentric-ring, oil–water-mixing, flow-focusing droplets generator driven under negative pressure conditions. Microdroplets were generated with good uniformity (CV = 5.8%), adjustable diameters (50–200 μm), and controllable flow rates (0–0.3 μL/s). Further verification was provided by quantitative detection of plasmids. We observed a linear correlation of R2 = 0.9998 in the concentration range from 10 to 105 copies/μL. Finally, this chip was applied to quantify the nucleic acid concentrations of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The measured nucleic acid recovery rate of 75 ± 8.8% and detection limit of 10 copies/μL proved its on-chip purification and accurate detection abilities. This chip can potentially be a valuable tool in point-of-care testing. [ABSTRACT FROM AUTHOR]

ZK61 magnesium-alloy plate with high tensile strength and elongation is obtained by combined multipass symmetric hot rolling and asymmetric warm rolling. Deformation history considering varying strain rate obtained from the macro-finite element analysis of the selected passes are introduced into the viscoplastic self-consistent model (VPSC) as initial boundary conditions for macro- multiscale and micro-multiscale coupling analysis. VPSC simulation results show that in the initial stage of rolling deformation, the basal slip is the dominated deformation mode, supplemented by prismatic slip and pyramidal slip. With increased rolling strain, the pyramidal slip presents competitive relationship with basal slip, and the activation amount of {10 1 — 1} compression twins is limited. During asymmetric rolling, the basal slip is dominant, followed by the pyramidal slip. Experimental results show that the basal texture is gradually strengthened after symmetric rolling, and grain size is refined due to the activation and recrystallization of twins. Asymmetric rolling makes the basal texture deflect 10° to the rolling direction and further refine the grain size. With the ongoing of symmetric rolling, the mechanical anisotropy of the plate weakens, and the yield strength, tensile strength, and plasticity of the material improves. In particular, after asymmetric rolling, the tensile strength in the RD and TD directions of the plate reaches 391.2 MPa and 398.9 MPa, whereas the elongation reaches 19.8% and 25.5%. [ABSTRACT FROM AUTHOR]

Crossing borehole is an effective means to eliminate the outburst risk of coal and gas. The influence of borehole inclination angle, borehole diameter, and drainage time on the effective radius of gas drainage are studied by numerical simulation and engineering example verification. The study shows that the effective radius changes in a "U" shape with the increase in borehole inclination angle. When the angle α of the borehole and coal seam plane decreases, the effective radius increases. Furthermore, the coal mass around the borehole is broken by shear deformation, which is consistent with the results of the inner peephole. The effective radiuses are different in coal seam dip X and strike Y. When α is small, the effective radius in the X direction is generally wider. When α is large (α ≤ 90°), the effective radiuses in the X and Y directions are close. The effective radius is positively correlated with the borehole diameter and is more significantly influenced by increasing borehole diameter when α is small. The effective radius increases as a negative exponential function with time and eventually converges to a constant. The study has practical implications for the design of crossing borehole in the coal seam floor. [ABSTRACT FROM AUTHOR]

With the development of environmental and economic requirements, the light-load efficiency of DC/DC converters is increasingly important. However, many isolated regulated converters still use fixed-frequency control, which has low light-load efficiency. This paper proposes a new digital control method to improve the light-load efficiency under fixed-frequency control. On the one hand, new gate-drive timing control is proposed to achieve the soft-switching of the primary switch. On the other, the software voltage–second balance method realizes the synchronous rectification in the discontinuous conduction mode, which reduces the conduction loss. The diagram and workflow of the proposed control scheme are demonstrated at length. A 100-Watt prototype was designed, and the test results show that synchronous rectification and quasi-zero-voltage-switching are realized in the whole operating range at the light load. The light-load efficiency is 81% to 87%, which improves by 5% to 10% in comparison to the traditional forward converter. The prototype also functions well under the load transient. The proposed control scheme is implemented in one digital controller without additional components, and the circuit is low loss and low cost. [ABSTRACT FROM AUTHOR]

Staphylococcus aureus is a common human commensal pathogen that causes a wide range of infectious diseases. Due to the generation of antimicrobial resistance, the pathogen becomes resistant to more and more antibiotics, resulting in methicillin-resistant S. aureus (MRSA) and even multidrug-resistant S. aureus (MDRSA), namely 'superbugs'. This situation highlights the urgent need for novel antimicrobials. Bacterial transcription, which is responsible for bacterial RNA synthesis, is a valid but underutilized target for developing antimicrobials. Previously, we reported a novel class of antimicrobials, coined nusbiarylins, that inhibited bacterial transcription by interrupting the protein–protein interaction (PPI) between two transcription factors NusB and NusE. In this work, we developed a ligand-based workflow based on the chemical structures of nusbiarylins and their activity against S. aureus. The ligand-based models—including the pharmacophore model, 3D QSAR, AutoQSAR, and ADME/T calculation—were integrated and used in the following virtual screening of the ChemDiv PPI database. As a result, four compounds, including J098-0498, 1067-0401, M013-0558, and F186-026, were identified as potential antimicrobials against S. aureus, with predicted pMIC values ranging from 3.8 to 4.2. The docking study showed that these molecules bound to NusB tightly with the binding free energy ranging from −58 to −66 kcal/mol. [ABSTRACT FROM AUTHOR]

Droplet ejection technology is widely used in green and intelligent manufacturing. A stable jetting can be defined as no obvious satellite droplets during the whole ejection process, which is of great importance to ensure the quality and efficiency of the printed products; However, due to the multi-parameter features and the interaction between different physics, using traditional analytical-based approaches to analyze and/or optimize is usually difficult and even unfeasible. Experimental tests using a PZT printhead design-optimization method based on surrogate modeling are proposed in this paper to overcome this challenge, which can synthesize the advantages of numerical simulation. The basic data for surrogate model construction was obtained by the Computational Fluid Dynamics (CFD) numerical-based model, which was developed to predict the flow characteristic under different parameter settings of the printhead. The accuracy of the developed numerical model was validated by performing experimental tests; thereby, the predictive ability of the numerical model in droplet ejection was verified. With the validated numerical model, the Design of Experiments (DoE) was performed to generate the necessary training and validation sample dataset required by the surrogate modeling. Thereafter, four surrogate modeling methods were adopted to construct the relationship between the design parameters and flow features, where the Kriging (KRG) was identified as the optimal modeling method. Based on the developed KRG model, global sensitivity analysis (GSA) of the parameters was carried out with Sobol's method; thereby, the influence of different parameters can be quantified. Finally, a genetic algorithm (GA) was used to optimize the structure of the droplet printhead. Through validation, the optimized design model increases the droplet ejection speed by 20.84% while keeping no satellite droplet formation, confirming the efficient and stable printhead ejection, and verifying the feasibility and effectiveness of the analysis/optimization method proposed in this paper. [ABSTRACT FROM AUTHOR]

Cytidine is an antiviral and anticancer drug intermediate, its primary method of manufacture being fermentation. Uridine-cytidine kinase (UCK) catalyzes the reverse process of phosphorylation of cytidine to produce cytidylic acid, which influences cytidine accumulation in the Escherichia coli cytidine biosynthesis pathway. The cytidine-producing strain E. coli NXBG-11 was used as the starting strain in this work; the udk gene coding UCK was knocked out of the chromosomal genome using clustered regularly interspaced short palindromic repeats (CRISPR)/Cas9 technology. The mutant strain E. coli NXBG-12 was obtained; its transcriptomics were studied to see how udk gene deletion affected cytidine synthesis and cell-wide transcription. The mutant strain E. coli NXBG-12 generated 1.28 times more cytidine than the original strain E. coli NXBG-11 after 40 h of shake-flask fermentation at 37 °C. The udk gene was knocked out, and transcriptome analysis showed that there were 1168 differentially expressed genes between the mutant and original strains, 559 upregulated genes and 609 downregulated genes. It was primarily shown that udk gene knockout has a positive impact on the cytidine synthesis network because genes involved in cytidine synthesis were significantly upregulated (p < 0.05) and genes related to the cytidine precursor PRPP and cofactor NADPH were upregulated in the PPP and TCA pathways. These results principally demonstrate that udk gene deletion has a favorable impact on the cytidine synthesis network. The continual improvement of cytidine synthesis and metasynthesis is made possible by this information, which is also useful for further converting microorganisms that produce cytidine. [ABSTRACT FROM AUTHOR]

Background: Previously, research has reported associations of lipid and lipoprotein imbalances with carcinogenesis and cancer progression, so they have been considered as promising prognostic biomarkers for cancer in recent years. However, the correlation of preoperative serum triglyceride to high-density lipoprotein cholesterol ratio (TG/HDL-C) with non-small cell lung carcinoma (NSCLC) prognosis remains under exploration. Here, the study investigated the prognostic function of TG/HDL-C for NSCLC. Methods: The total combined group of this retrospective study enrolled 479 NSCLC patients from two tertiary referral hospitals, of which 223 patients were defined as the training group (Nanchang) and the remaining 256 were defined as the validation group (Wuhan). The cut-off of preoperative TG/HDL-C was determined through ROC curve in the training group and verified in the validation and combined groups subsequently. With one Cox proportional hazards model and K-M survival curves, a survival analysis was conducted. Results: In the training group, the optimal cut-off of TG/HDL-C was 1.02. Furthermore, the data based on the training group revealed a greater, shorter, overall survival (OS) in patients having a high TG/HDL-C (>1.02) than those having low TG/HDL-C (≤1.02). Meanwhile, in univariate and multivariate analysis, for prognostic OS among NSCLC patients, TG/HDL-C acted as one independent factor. All the results above were confirmed in the validation and combined groups. Conclusion: NSCLC patients with a comparatively low preoperative serum TG/HDL-C level had a correlation with well OS. TG/HDL-C possibly acted as one novel, effective prognostic biomarker for NSCLC patients. [ABSTRACT FROM AUTHOR]

Magnesium–lithium alloy is the lightest metal alloy material so far, and the ultra-thin plate is also one of the main trends in the future development of Mg-Li alloy. In order to explore how to prepare LZ91 ultra-thin Mg-Li alloy, this topic adopts the combination of the finite element method (FEM) and visco-plastic self-consistent (VPSC) calculation, electron back-scattered diffraction (EBSD) and tensile experiment, and uses the asymmetric warm rolling process to realize the processing of ultra-thin LZ91 Mg-Li alloy plate with a thickness of 0.25 mm. The experimental results show that the maximum basal texture strengths of 1 mm initial plate and 0.25 mm ultra-thin rolled plate are 36.02 mud and 29.19 mud, respectively. The asymmetric warm rolling process not only reduces the basal texture strength but also significantly refines the grains. The tensile strength and yield strength of 0.25 mm ultra-thin rolled plate along the rolling direction reached 206.8 MPa and 138.4 MPa, respectively. This has a positive effect on the mechanical properties of subsequent materials. VPSC results show that the base slip is the main factor in Mg-Li alloy asymmetric warm rolling, and a large number of tensile twinning are initiated due to the coordinated deformation of the body-centered cubic (BCC) phase, which is beneficial to improve the plastic deformation capacity of Mg-Li alloy. [ABSTRACT FROM AUTHOR]

Known as the "lung of the planet", the Amazon rainforest produces more than 20% of the Earth's oxygen. Once a carbon pool for mitigating climate change, the Brazilian Amazônia Biome recently has become a significant carbon emitter due to increasingly frequent wildfires. Therefore, it is of crucial importance for authorities to understand wildfire dynamics to manage them safely and effectively. This study incorporated remote sensing and spatial statistics to study both the spatial distribution of wildfires during 2019 and their relationships to 15 environmental and anthropogenic factors. First, broad-scale spatial patterns of wildfire occurrence were explored using kernel density estimation, Moran's I, Getis-Ord Gi*, and optimized hot spot analysis (OHSA). Second, the relationships between wildfire occurrence and the environmental and anthropogenic factors were explored using several regression models, including Ordinary Least Squares (OLS), global (quasi) Poisson, Geographically-weighted Gaussian Regression (GWGR), and Geographically-weighted Poisson Regression (GWPR). The spatial analysis results indicate that wildfires exhibited pronounced regional differences in spatial patterns in the vast and heterogeneous territory of the Amazônia Biome. The GWPR model outperformed the other regression models and explained the distribution and frequency of wildfires in the Amazônia Biome as a function of topographic, meteorologic, and environmental variables. Environmental factors like elevation, slope, relative humidity, and temperature were significant factors in explaining fire frequency in localized hotspots, while factors related to deforestation (forest loss, forest fragmentation measures, agriculture) explained wildfire activity over much of the region. Therefore, this study could improve a comprehensive study on, and understanding of, wildfire patterns and spatial variation in the target areas to support agencies as they prepare and plan for wildfire and land management activities in the Amazônia Biome. [ABSTRACT FROM AUTHOR]

There is growing concern that chemotherapy drugs can damage Leydig cells and inhibit the production of testosterone. Increasing evidence shows that melatonin benefits the reproductive process. This study mainly explores the protective effect and possible molecular mechanism of melatonin regarding cisplatin-induced oxidative stress in testicular tissue and Leydig cells. We found that there were only Leydig and Sertoli cells in the testes of gastrointestinal tumor patients with azoospermia caused by platinum chemotherapeutic drugs. Melatonin (Mel) receptor 1/melatonin receptor 2 (MT1/MT2) was mainly expressed in human and mouse Leydig cells of the testes. We also observed that the melatonin level in the peripheral blood decreased and oxidative stress occurred in mice treated with cisplatin or gastrointestinal tumor patients treated with platinum-based chemotherapeutic drugs. iTRAQ proteomics showed that SIRT1/Nrf2 signaling and MT1 proteins were downregulated in cisplatin-treated mouse testes. The STRING database predicted that MT1 might be able to regulate the SIRT1/Nrf2 signaling pathway. Melatonin reduced oxidative stress and upregulated SIRT1/Nrf2 signaling in cisplatin-treated mouse testes and Leydig cells. Most importantly, after inhibiting MT1/MT2, melatonin could not upregulate SIRT1/Nrf2 signaling in cisplatin-treated Leydig cells. The MT1/MT2 inhibitor aggravated the cisplatin-induced downregulation of SIRT1/Nrf2 signaling and increased the apoptosis of Leydig cells. We believe that melatonin stimulates SIRT1/Nrf2 signaling by activating MT1/MT2 to prevent the cisplatin-induced apoptosis of Leydig cells. [ABSTRACT FROM AUTHOR]

Streptococci are a family of bacterial species significantly affecting human health. In addition, environmental Streptococci represent one of the major causes of diverse livestock diseases. Due to antimicrobial resistance, there is an urgent need for novel antimicrobial agent discovery against Streptococci. We discovered a class of benzoic acid derivatives named sigmacidins inhibiting the bacterial RNA polymerase-σ factor interaction and demonstrating excellent antimicrobial activity against Streptococci. In this work, a combinational computer approach was applied to gain insight into the structural basis and mechanism of action of sigmacidins as antimicrobials against Streptococcus pneumoniae. Both two- and three-dimensional quantitative structure-active relationships (2D and 3D QSAR) of sigmacidins displayed good predictive ability. Moreover, molecular docking and molecular dynamics simulation studies disclosed possible contacts between the inhibitors and the protein. The results obtained in this study provided understanding and new directions to the further optimizations of sigmacidins as novel antimicrobials. [ABSTRACT FROM AUTHOR]

Characterized by the high morbidity and mortality and seasonal surge, the influenza virus (IV) remains a major public health challenge. Oseltamivir is commonly used as a first-line antiviral. As a neuraminidase inhibitor, it attenuates the penetration of viruses through the mucus on the respiratory tract and inhibits the release of virus progeny from infected cells. However, over the years, oseltamivir-resistant strains have been detected in the IV surveillance programs. Therefore, new antivirals that circumvent the resistant strains would be of great importance. In this study, two novel secondary amine derivatives of oseltamivir CUHK326 (6f) and CUHK392 (10i), which bear heteroaryl groups of M2-S31 proton channel inhibitors, were designed, synthesized and subjected to biological evaluation using plaque assay. Influenza A virus (A/Oklahoma/447/2008, H1N1), influenza B viruses (B/HongKong/CUHK33261/2012), an oseltamivir-resistant influenza A virus (A/HongKong/CUHK71923/2009, H1N1) and an oseltamivir-resistant influenza B virus (B/HongKong/CUHK33280/2012) were included in the antiviral effect assessment compared to oseltamivir carboxylate (OC). Both novel compounds significantly reduced the plaque size of seasonal IV A and B, and performed similarly to OC at their corresponding half-maximal inhibitory concentration (IC50). CUHK392 (10i) functioned more effectively than CUHK326 (6f). More importantly, these compounds showed an inhibitory effect on the oseltamivir-resistant strain under 10 nM with selective index (SI) of >200. [ABSTRACT FROM AUTHOR]

The AlNbTiZr medium-entropy alloy (MEA) coatings with different Al contents were prepared on N36 zirconium alloy substrates by RF magnetron co-sputtering. The morphology, microstructure, mechanical properties, surface wettability and corrosion resistance of the AlNbTiZr MEA coatings were studied to evaluate the surface protection behavior of zirconium alloy cladding under operation conditions of a pressurized water reactor. The results showed that all the coatings were composite structures with amorphous and bcc-structured nanocrystals. With the increase of Al content, both the elastic modulus and hardness decreased first and then increased. The hydrophobicity of the coatings was enhanced compared with that of the substrate. The 10.2 at.% Al AlNbTiZr coating had the best corrosion resistance and the minimum oxygen penetration depth, which originated from the formation of a denser oxide layer consisting of Nb2Zr6O17 and ZrO2. This study provides an improved idea for the design and development of Al-containing MEA coating materials for accident tolerant fuel. [ABSTRACT FROM AUTHOR]

Chest X-rays (CXR) and computed tomography (CT) are the main medical imaging modalities used against the increased worldwide spread of the 2019 coronavirus disease (COVID-19) epidemic. Machine learning (ML) and artificial intelligence (AI) technology, based on medical imaging fully extracting and utilizing the hidden information in massive medical imaging data, have been used in COVID-19 research of disease diagnosis and classification, treatment decision-making, efficacy evaluation, and prognosis prediction. This review article describes the extensive research of medical image-based ML and AI methods in preventing and controlling COVID-19, and summarizes their characteristics, differences, and significance in terms of application direction, image collection, and algorithm improvement, from the perspective of radiologists. The limitations and challenges faced by these systems and technologies, such as generalization and robustness, are discussed to indicate future research directions. [ABSTRACT FROM AUTHOR]

Microfluidics offer microenvironments for reagent delivery, handling, mixing, reaction, and detection, but often demand the affiliated equipment for liquid control for these functions. As a helpful tool, the capillary pressure control valve (CPCV) has become popular to avoid using affiliated equipment. Liquid can be handled in a controlled manner by using the bubble pressure effects. In this paper, we analyze and categorize the CPCVs via three determining parameters: surface tension, contact angle, and microchannel shape. Finally, a few application scenarios and impacts of CPCV are listed, which includes how CPVC simplify automation of microfluidic networks, work with other driving modes; make extensive use of microfluidics by open channel, and sampling and delivery with controlled manners. The authors hope this review will help the development and use of the CPCV in microfluidic fields in both research and industry. [ABSTRACT FROM AUTHOR]

Fragaria × ananassa Duch, which among the youngest fruit crops, comprises many popular cultivars that are famous for their favored color and aroma. The regulation roles of AP2/ERF (APETALA2/ethylene-responsive element-binding factor) transcription factors in fruit flavor and color regulation have been studied in several fruit crops. The AP2 family of strawberry, which was ignored in recent AP2/ERF identification studies, was explored in this study. A total of 64 FaAP2 (Fragaria × ananassa AP2) transcription factors belonging to the euAP2, euANT (AINTEGUMENTA), and baselANT groups were identified with canonical insertion motifs in two AP2 domains. The motif identification illustrated that motifs 1, 5, and 2 indicated a corresponding AP2 domain repeat 1 with a linker region, and motifs 6, 4, 3 indicated a corresponding AP2 domain repeat 2, all of which were highly conserved. By synteny analysis, FaAP2 paralogs were identified in each sub-genome, and FaAP2 gene duplication and loss explained the unequal AP2 loci of sub-genomes. The expression profile in three cultivars indicated that six FaAP2 paralogs—four WRI (WRINKLED) gene homologs and two AP2 gene homologs—were candidate regulators of red fruit color and/or special fruit aroma. All these finds provide a basis for further investigations into role of AP2 in fruit color and aroma and would be helpful in the targeted selection of strawberry fruit quality to improve breeding. [ABSTRACT FROM AUTHOR]

Oseltamivir represents one of the most successful neuraminidase (NA) inhibitors in the current anti-influenza therapy. The 150-cavity of NA was identified as an additional binding pocket, and novel NA inhibitors have been designed to occupy the 150-cavity based on the structure information of oseltamivir carboxylate (OC) in complex with NA. In this study, a series of C-5-NH2-acyl derivatives of OC containing the pyrazole moiety were synthesized. Several derivatives exhibited substantial inhibitory activity against NA. Moreover, in silico ADME evaluation indicated that the derivatives were drug-like with higher oral absorption rates and greater cell permeability than OC. Additionally, molecular docking studies revealed that the derivatives interacted with both the NA enzyme active site and 150-cavity as expected. The results provided useful information for further structural optimization of OC. [ABSTRACT FROM AUTHOR]

The emergence of multidrug resistance in the clinically significant pathogen Staphylococcus aureus is a global health burden, compounded by a diminishing drug development pipeline, and a lack of approved novel antimicrobials. Our previously reported first-in-class bacterial transcription inhibitors "nusbiarylins" presented a promising prospect towards the discovery of novel antimicrobial agents with a novel mechanism. Here we investigated and characterised the lead nusbiarylin compound, MC4, and several of its chemical derivatives in both methicillin-resistant S. aureus (MRSA) and the S. aureus type strains, demonstrating their capacity for the arrest of growth and cellular respiration, impairment of RNA and intracellular protein levels at subinhibitory concentrations. In some instances, derivatives of MC4 were also shown to attenuate the production of staphylococcal virulence factors in vitro, such as the exoproteins α-toxin and Panton–Valentine Leukocidin (PVL). Trends observed from quantitative PCR assays suggested that nusbiarylins elicited these effects possibly by acting via but not limited to the modulation of global regulatory pathways, such as the agr regulon, which coordinates the expression of S. aureus genes associated with virulence. Our findings encourage the continued development of more potent compounds within this novel family of bacterial transcription inhibitors. [ABSTRACT FROM AUTHOR]

A single-layer three-dimensional model was created to simulate multi-channel scanning of AlSi25 powder in selective laser melting (SLM) by the finite element method. Thermal behaviors of laser power and scanning speed in the procedure of SLM AlSi25 powder were studied. With the increase of laser power, the maximum temperature, size and cooling rate of the molten pool increase, while the scanning speed decreases. For an expected SLM process, a perfect molten pool can be generated using process parameters of laser power of 180 W and a scanning speed of 200 mm/s. The pool is greater than the width of the scanning interval, the depth of the molten pool is close to scan powder layer thickness, the temperature of the molten pool is higher than the melting point temperature of the powder and the parameters of the width and depth are the highest. To confirm the accuracy of the simulation results of forecasting excellent process parameters, the SLM experiment of forming AlSi25 powder was carried out. The surface morphology of the printed sample is intact without holes and defects, and a satisfactory metallurgical bond between adjacent scanning channels and adjacent scanning layers was achieved. Therefore, the development of numerical simulation in this paper provides an effective method to obtain the best process parameters, which can be used as a choice to further improve SLM process parameters. In the future, metallographic technology can also be implemented to obtain the width-to-depth ratio of the SLM sample molten pool, enhancing the connection between experiment and theory. [ABSTRACT FROM AUTHOR]

Here, ultraviolet light-emitting diodes (UV-LED) combined with TiO2 was used to investigate the feasibility of carbamazepine (CBZ) degradation. The effects of various factors, like crystal form of the catalyst (anatase, rutile, and mixed phase), mass concentration of TiO2, wavelength and irradiation intensity of the UV-LED light source, pH of the reaction system, and coexisting anions and cations, on the photocatalytic degradation of CBZ were studied. The mixed-phase (2.8 g/L) showed the best degradation efficiency at 365 nm among three kinds of TiO2, wherein CBZ (21.1 µM) was completely oxidized within 1 h. The results of batch experiments showed that: (i) CBZ degradation efficiency under UV-LED light at 365 nm was higher than 275 nm, due to stronger penetrability of 365 nm light in solution. (ii) The degradation efficiency increased with increase in irradiation intensity and pH, whereas it decreased with increase in initial CBZ concentration. (iii) The optimal amount of mixed-phase TiO2 catalyst was 2.8 g/L and excessive catalyst decreased the rate. (iv) The co-existence of CO32−, HCO3−, and Fe3+ ions in water significantly accelerated the degradation rate of photocatalytic CBZ, whereas Cu2+ ions strongly inhibited the degradation process of CBZ. ·OH was found to be the main active species in the UV-LED photocatalytic degradation of CBZ. UV-LED is more environmentally friendly, energy efficient, and safer, whereas commercial TiO2 is economical and readily available. Therefore, this study provides a practically viable reference method for the degradation of pharmaceuticals and personal care products (PPCPs). [ABSTRACT FROM AUTHOR]

In order to improve the stability of air bubbles in fresh concrete, it is of great significance to have a better understanding of the mechanisms and main influencing factors of bubble stability. In the present review, the formation and collapse process of air bubbles in fresh concrete are essentially detailed; and the advances of major influencing factors of bubble stability are summarized. The results show that the surface tension of air–liquid interface exerts a huge impact on bubble stability by reducing surface free energy and Plateau drainage, as well as increasing the Gibbs surface elasticity. However, surface tension may not be the only determinant of bubble stability. Both the strength of bubble film and the diffusion rate of air through the membrane may also dominate bubble stability. The application of nano-silica is a current trend and plays a key role in ameliorating bubble stability. The foam stability could be increased by 6 times when the mass fraction of nano-particle reached 1.5%. [ABSTRACT FROM AUTHOR]

In order to solve the problems of the sudden loss of fluidity and low expansion rate of CAM I (cement asphalt mortar type I) in a construction site with high environmental temperature, this paper studies the effect of temperature on the fluidity, expansion ratio and pH value of CAM I. The mechanism of action was analyzed by IR (infrared spectrometry), SEM (scanning electron microscopy) and other test methods. The results showed that a high temperature accelerates aluminate formation in cement paste. Aluminate adsorbs emulsifiers leading to demulsification of emulsified asphalt, and wrapped on the surface of cement particles, this causes CAM I to lose its fluidity rapidly. The aluminum powder gasification reaction is inhibited, resulting in an abnormal change in the expansion ratio. Based on findings, the application of an appropriate amount of superplasticizers can effectively improve the workability and expansion characteristics of CAM I at a high temperature. [ABSTRACT FROM AUTHOR]

To minimize treatment toxicities, recent anti-cancer research efforts have switched from broad-based chemotherapy to targeted therapy, and emerging data show that altered cellular metabolism in cancerous cells can be exploited as new venues for targeted intervention. In this study, we focused on, among the altered metabolic processes in cancerous cells, altered glycosylation due to its documented roles in cancer tumorigenesis, metastasis and drug resistance. We hypothesize that the enzymes required for the biosynthesis of UDP-hexoses, glycosyl donors for glycan synthesis, could serve as therapeutic targets for cancers. Through structure-based virtual screening and kinetic assay, we identified a drug-like chemical fragment, GAL-012, that inhibit a small family of UDP-hexose pyrophosphorylases-galactose pyro-phosphorylase (GALT), UDP-glucose pyrophosphorylase (UGP2) and UDP-N-acetylglucosamine pyrophosphorylase (AGX1/UAP1) with an IC50 of 30 µM. The computational docking studies supported the interaction of GAL-012 to the binding sites of GALT at Trp190 and Ser192, UGP2 at Gly116 and Lys127, and AGX1/UAP1 at Asn327 and Lys407, respectively. One of GAL-012 derivatives GAL-012-2 also demonstrated the inhibitory activity against GALT and UGP2. Moreover, we showed that GAL-012 suppressed the growth of PC3 cells in a dose-dependent manner with an EC50 of 75 µM with no effects on normal skin fibroblasts at 200 µM. Western blot analysis revealed reduced expression of pAKT (Ser473), pAKT (Thr308) by 77% and 72%, respectively in the treated cells. siRNA experiments against the respective genes encoding the pyrophosphorylases were also performed and the results further validated the proposed roles in cancer growth inhibition. Finally, synergistic relationships between GAL-012 and tunicamycin, as well as bortezomib (BTZ) in killing cultured cancer cells were observed, respectively. With its unique scaffold and relatively small size, GAL-012 serves as a promising early chemotype for optimization to become a safe, effective, multi-target anti-cancer drug candidate which could be used alone or in combination with known therapeutics. [ABSTRACT FROM AUTHOR]

Cutting down global warming and reducing greenhouse gas emissions such as carbon dioxide are important global targets. Accounting for a third of global energy consumption, the building construction industry is an important target for carbon reduction. Campus buildings, of which there are a large number in China, differ from other building types, as they have noteworthy energy-use characteristics and technology selection requirements. This study identifies the carbon reduction technologies in Chinese primary and middle schools commonly used for energy and water conservation, and then evaluates their performance according to degrees of carbon reduction, maturity and economic suitability. Based on these three indicators, the study creates a three-dimensional evaluation model for the different technologies examined in order to obtain a selection ranking. The study offers guidance for project practice in the construction of primary and middle schools and helps to promote the development of the low-carbon campus. [ABSTRACT FROM AUTHOR]

Batch experiments were performed to investigate the effect of several environmental factors on atenolol (ATL) degradation efficiency, including catalyst crystal phase (anatase TiO2, rutile TiO2, and mixed phase), catalyst dosage, UV-LED wavelength and intensity, co-existing anions, cations, and pH. The mixed phase (2 g/L) exhibited the best photocatalytic activity at 365 nm, with ATL (18.77 µM) completely oxidized within 1 h. These results suggest that: (i) The mixed phase exhibits the highest activity due to its large specific surface area and excellent charge separation efficiency. (ii) ATL can be effectively degraded using mixed phase TiO2 combined with UV-LED technology and the ATL degradation efficiency could reach 100% for 60 min; (iii) ATL photodegradation was more effective under 365 nm UV-LED than 254 nm, which was caused by the effect of light-induced charge separation; (iv) the ATL Degradation efficiency(De) decreased with an increase in initial ATL concentrations; and (v) co-existing anions and cations had different effects on the ATL De, mainly by changing the concentration of hydroxyl radicals. Considering that UV-LED is more energy-saving and environmentally friendly, and commercial TiO2 is cheap and easy to obtain, our research provides feasibility for practical application. [ABSTRACT FROM AUTHOR]

Novel antimicrobial classes are in desperate need for clinical management of infections caused by increasingly prevalent multi-drug resistant pathogens. The protein-protein interaction between bacterial RNA polymerase (RNAP) and the housekeeping sigma initiation factor is essential to transcription and bacterial viability. It also presents a potential target for antimicrobial discovery, for which a hit compound (C3) was previously identified from a pharmacophore model-based in silico screen. In this study, the hit compound was experimentally assessed with some rationally designed derivatives for the antimicrobial activities, in particular against Streptococcus pneumoniae and other pathogens. One compound, C3-005, shows dramatically improved activity against pneumococci compared to C3. C3-005 also attenuates S. pneumoniae toxin production more strongly than existing classes of antibiotics tested. Here we demonstrate a newly validated antimicrobial agent to address an overlooked target in the hit-to-lead process, which may pave the way for further antimicrobial development. [ABSTRACT FROM AUTHOR]

Precious metal-free NiMoM (M = Pr2O3, Cu2O) catalysts have been synthesized through a simple coreduction method, without any surfactant or support material, and characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The resultant Pr2O3- or Cu2O-modified NiMo catalysts exhibit different structures, which is due to a difference in the synergistic effects of NiMo and the modifying elements. NiMoPr2O3 has an amorphous structure, with low crystallinity and uniform particle dispersion, while NiMo@Cu2O adopts the core–shell structure, where the core and shell are synergistic with each other to promote electron transfer efficiency. The support material-free nanocatalysts Ni9Mo1(Pr2O3)0.375 and Ni4Mo@Cu2O are both highly efficient compared with bimetallic NiMo catalysts, in terms of hydrogen generation from hydrous hydrazine (N2H4·H2O) at 343 K, with total turnover frequencies (TOFs) of 62 h−1 and 71.4 h−1, respectively. Their corresponding activation energies (Ea) were determined to be 43.24 kJ mol−1 and 46.47 kJ mol−1, respectively. This is the first report on the use of Pr-modified NiMo and core–shell NiMo@Cu2O catalysts, and these results may be used to promote the effective application of noble metal-free nanocatalysts for hydrogen production from hydrous hydrazine. [ABSTRACT FROM AUTHOR]

Antibiotic resistance has become a serious global problem that threatens public health. In our previous work, we found that ocotillol-type triterpenoid saponin showed good antibacterial activity. Based on preliminary structure-activity relationship, novel serious C-3 substituted ocotillol-type derivatives 7–26 were designed and synthesized. The in vitro antibacterial activity was tested on five bacterial strains (B. subtilis 168, S. aureus RN4220, E. coli DH5α, A. baum ATCC19606 and MRSA USA300) and compared with the tests on contrast. Among these derivatives, C-3 position free hydroxyl substituted compounds 7–14, showed good antibacterial activity against Gram-positive bacteria. Furthermore, compound 22 exhibited excellent antibacterial activity with minimum inhibitory concentrations (MIC) values of 2 μg/mL against MRSA USA300 and 4 μg/mL against B. subtilis. The structure-activity relationships of all current ocotillol-type derivatives our team synthesised were summarized. In addition, the prediction of absorption, distribution, metabolism, and excretion (ADME) properties and the study of pharmacophores were also conducted. These results can provide a guide to further design and synthesis works. [ABSTRACT FROM AUTHOR]

Staphylococcus aureus is a common human commensal pathogen that causes a wide range of infectious diseases. Due to the generation of antimicrobial resistance, the pathogen becomes resistant to more and more antibiotics, resulting in methicillin-resistant S. aureus (MRSA) and even multidrug-resistant S. aureus (MDRSA), namely 'superbugs'. This situation highlights the urgent need for novel antimicrobials. Bacterial transcription, which is responsible for bacterial RNA synthesis, is a valid but underutilized target for developing antimicrobials. Previously, we reported a novel class of antimicrobials, coined nusbiarylins, that inhibited bacterial transcription by interrupting the protein-protein interaction (PPI) between two transcription factors NusB and NusE. In this work, we developed a ligand-based workflow based on the chemical structures of nusbiarylins and their activity against S. aureus . The ligand-based models-including the pharmacophore model, 3D QSAR, AutoQSAR, and ADME/T calculation-were integrated and used in the following virtual screening of the ChemDiv PPI database. As a result, four compounds, including J098-0498 , 1067-0401 , M013-0558 , and F186-026 , were identified as potential antimicrobials against S. aureus , with predicted pMIC values ranging from 3.8 to 4.2. The docking study showed that these molecules bound to NusB tightly with the binding free energy ranging from -58 to -66 kcal/mol.

Gubenyiliu II (GYII), a Traditional Chinese Medicine (TCM) formula used in our hospital, has shown beneficial effects in cancer patients. In this study, we investigated the molecular mechanisms underlying the beneficial effects of GYII on murine breast cancer models. GYII showed significant inhibitory effects on tumor growth and metastasis in the murine breast cancer model. Additionally, GYII suppressed the proliferation of 4T1 and MCF-7 cells in a dose-dependent manner. A better inhibitory effect on 4T1 cell proliferation and migration was found in the decomposed recipes (DR) of GYII. Moreover, heparanase expression and the degree of angiogenesis were reduced in tumor tissues. Western blot analysis showed decreased expression of heparanase and growth factors in the cells treated with GYII and its decomposed recipes (DR2 and DR3), and thereby a reduction in the phosphorylation of extracellular signal-regulated kinase (ERK) and serine-threonine kinase (AKT). These results suggest that GYII exerts anti-tumor growth and anti-metastatic effects in the murine breast cancer model. The anti-tumor activity of GYII and its decomposed recipes is, at least partly, associated with decreased heparanase and growth factor expression, which subsequently suppressed the activation of the ERK and AKT pathways.

Due to the rapidly growing bacterial antibiotic-resistance and the scarcity of novel agents in development, bacterial infection is still a global problem. Therefore, new types of antibacterial agents, which are effective both alone and in combination with traditional antibiotics, are urgently needed. In this paper, a series of antibacterial ocotillol-type C-24 epimers modified from natural 20( S )-protopanaxadiol were synthesized and evaluated for their antibacterial activity. According to the screening results of Gram-positive bacteria ( B. subtilis 168 and MRSA USA300) and Gram-negative bacteria ( P. aer PAO1 and A. baum ATCC19606) in vitro, the derivatives exhibited good antibacterial activity, particularly against Gram-positive bacteria with an minimum inhibitory concentrations (MIC) value of 2-16 µg/mL. The subsequent synergistic antibacterial assay showed that derivatives 5c and 6c enhanced the susceptibility of B. subtilis 168 and MRSA USA300 to chloramphenicol (CHL) and kanamycin (KAN) (FICI < 0.5). Our data showed that ocotillol-type derivatives with long-chain amino acid substituents at C-3 were good leads against antibiotic-resistant pathogens MRSA USA300, which could improve the ability of KAN and CHL to exhibit antibacterial activity at much lower concentrations with reduced toxicity.