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Underwater wireless sensor networks (UWSNs) stand as promising technologies facilitating diverse underwater applications. However, the major design issues of the considered system are the severely limited energy supply and unexpected node malfunctions. This paper aims to provide fair, efficient, and reliable (FER) communication to the imperfect and energy-constrained UWSNs (IC-UWSNs). Therefore, we formulate a FER-communication optimization problem (FERCOP) and propose ICRL-JSA to solve the formulated problem. ICRL-JSA is a deep multi-agent reinforcement learning (MARL)-based optimizer for IC-UWSNs through joint link scheduling and power allocation, which automatically learns scheduling algorithms without human intervention. However, conventional RL methods are unable to address the challenges posed by underwater environments and IC-UWSNs. To construct ICRL-JSA, we integrate deep Q-network into IC-UWSNs and propose an advanced training mechanism to deal with complex acoustic channels, limited energy supplies, and unexpected node malfunctions. Simulation results demonstrate the superiority of the proposed ICRL-JSA scheme with an advanced training mechanism compared to various benchmark algorithms.

Transition metal sulfides (TMSs) are considered as promising anode materials for sodium-ion batteries (SIBs) due to their high theoretical capacities. However, the relatively low electrical conductivity, large volume variation, and easy aggregation/pulverization of active materials seriously hinder their practical application. Herein, okra-like NiS2/FeS2particles encapsulated in multichannel N-doped carbon nanofibers (NiS2/FeS2@MCNFs) are fabricated by a coprecipitation, electrospinning, and carbonization/sulfurization strategy. The combined advantages arising from the hollow multichannel structure in carbon skeleton and heterogeneous NiS2/FeS2particles with rich interfaces can provide facile ion/electron transfer paths, ensure boosted reaction kinetics, and help maintain the structural integrity, thereby resulting in a high reversible capacity (457 mA h g–1at 1 A g–1), excellent rate performance (350 mA h g–1at 5 A g–1), and outstanding long-term cycling stability (93.5% retention after 1100 cycles). This work provides a facile and efficient synthetic strategy to develop TMS-based heterostructured anode materials with high-rate and stable sodium storage properties.

Performing a high-capacity Medium Access Control (MAC) protocol suffers from low bandwidth and long propagation delay in Underwater Acoustic Networks (UANs). Non-Orthogonal Multiple Access (NOMA) is a promising technology to assist MAC protocols in overcoming the above restrictions and improving UANs’ capacity. It enables multiple users to access the same frequency-time resource based on power or code differences of user classes. However, UANs lack MAC research employing NOMA’s physical advantages. Most existing NOMA-based MAC protocols are designed for terrestrial networks, which are inapplicable to UANs. In classifying users, they ignore the effects of harsh marine environments on acoustic channels and fail to decrease channels’ interference, resulting in conflicting communications. Moreover, such unreasonable classification results further affect resource allocation, leading to low transmission rate and high energy consumption in UANs. In this paper, we propose a Hybrid NOMA-based MAC protocol (HN-MAC) to achieve efficient concurrent communication for UANs. Specifically, HN-MAC combines power-domain and code-domain NOMA to classify users and allocate communication resources. For the user classification, we propose an Adaptive Clustering Algorithm (ACA), which dynamically determines the clusters’ number and classifies users based on channel gain and channel correlation under multipath conditions. In this way, HN-MAC decreases interference among multiple users in various ocean scenarios. During the resource allocation, we formulate a joint allocation problem of transmission power and codebook based on the clustering result to optimize transmission rate and energy consumption. Further, a genetic algorithm is proposed to solve the allocation problem by considering resource constraints. Simulation results show that HN-MAC provides more stable concurrent communications with less resource consumption than the state-of-the-art protocols in various UANs.

With the global spread of antimicrobial resistance, it is imperative to satisfy the need to develop novel antibacterial agents. Here, we synthesized chiral Co3O4nanoparticles (NPs) with obvious bactericidal effects. It was found that the circular dichroism (CD) spectra of L-Co3O4NPs and D-Co3O4NPs exhibited perfect mirror image inversion. Specifically, the survival rate of primary uterine fibroblast (PCS)cells reached above 90% by co-culturing with chiral Co3O4NPs. Besides, the chiral Co3O4NPs showed obvious killing ability on Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coliO157:H7) bacteria both in vitroand in vivo. Particularly, D-Co3O4NPs showed better antibacterial activity. Mechanistic studies confirmed that the level of reactive oxygen species level generated by D-Co3O4NPs was higher than that of L-Co3O4NPs. Overall, the synthesized D-Co3O4NPs have the potential to become a kind of novel antibacterial nanomaterials.

This paper investigates the fair-effective communication and robustness in imperfect and energy-constrained underwater acoustic sensor networks (IC-UASNs). Specifically, we investigate the impact of unexpected node malfunctions on the network performance under the time-varying acoustic channels. Each node is expected to satisfy Quality of Service (QoS) requirements. However, achieving individual QoS requirements may interfere with other concurrent communications. Underwater nodes rely excessively on the rationality of other underwater nodes when guided by fully cooperative approaches, making it difficult to seek a trade-off between individual QoS and global fair-effective communications under imperfect conditions. Therefore, this paper presents a SEmi-COoperative Power Allocation approach (SECOPA) that achieves fair-effective communication and robustness in IC-UASNs. The approach is distributed multi-agent reinforcement learning (MARL)-based, and the objectives are twofold. On the one hand, each intelligent node individually decides the transmission power to simultaneously optimize individual and global performance. On the other hand, advanced training algorithms are developed to provide imperfect environments for training robust models that can adapt to the time-varying acoustic channels and handle unexpected node failures in the network. Numerical results are presented to validate our proposed approach.

Sika deerare known to prefer oak leaves, which are rich in tannins and toxic to most mammals; however, the genetic mechanisms underlying their unique ability to adapt to living in the jungle are still unclear. In identifying the mechanism responsible for the tolerance of a highly toxic diet, we have made a major advancement by explaining the genome of sika deer. We generated the first high-quality, chromosome-level genome assembly of sika deer and measured the correlation between tannin intake and RNA expression in 15 tissues through 180 experiments. Comparative genome analyses showed that the UGTand CYPgene families are functionally involved in the adaptation of sika deer to high-tannin food, especially the expansion of the UGTfamily 2 subfamily B of UGTgenes. The first chromosome-level assembly and genetic characterization of the tolerance to a highly toxic diet suggest that the sika deer genome may serve as an essential resource for understanding evolutionary events and tannin adaptation. Our study provides a paradigm of comparative expressive genomics that can be applied to the study of unique biological features in non-model animals.

A correct understanding of the magnetic properties of rocks is essential to obtain reliable records of paleomagnetism and environmental magnetism. However, the original orientation of cores can be easily lost during drilling, which represents the main source of error when measuring the magnetic properties of rocks. In this study, we develop an in situ detection system to obtain isothermal remanent magnetization (IRM) acquisition curves and alternating field demagnetization (AFD) remanence curves of rocks. This system eliminates the need to collect cores and allows the rock to be magnetized, demagnetized, and measured in situ. This system uses a magnetic field generator to generate pulsed magnetic fields and alternating magnetic fields for in situ magnetization and demagnetization of rocks. The remanence data are collected using an anisotropic magnetoresistance magnetometer. To achieve remote control and real-time data transmission, the system’s corresponding host computer software is also configured. The system has high magnetization (0–1 T, 8 ms) and demagnetization (0–300 mT, 62.5 Hz) capabilities; in addition, the linearity and stability of the magnetometer are almost unaffected by strong magnetic fields. In this article, the remanence inversion formula for the in situ detection system is given. When the rock is measured in situ and close to the bottom of the coil, the ${z}$ -component of the flux density measured by the magnetometer can be used to calculate the rock’s remanence based on the inversion formula. Three cylindrical rock samples of the same material and different sizes were tested using the in situ detection system, and their corresponding ${{\mathrm {IRM}}}_{B}$ and ${{\mathrm {AFD}}}_{B}$ curves were obtained. The ${B}_{rc}$ and saturation IRM parameters of the samples obtained by inversion are essentially the same as those measured using a vibration sample magnetometer (VSM). This system provides a new measurement method for the detection of remanence of rocks in the field and provides a strong foundation for the future development of in situ measurement technology for the magnetic properties of seafloor rocks and sediments.

In this article, a novel hybrid method of combining refined composite multiscale permutation ${q}$ -complexity entropy (RCMPQE) and random forest (RF) is developed to locate disconnection faults in a power distribution system. As a feature extraction method, RCMPQE is used to analyze the negative-sequence current to obtain fault features, and then they are input into RF to build a fault location model. The effectiveness of the proposed method is corroborated by referencing a three-feeder distribution network. The results demonstrate that compared with multiscale permutation entropy (MPE), refined composite MPE (RCMPE), and generalized MPE (GMPE), the RCMPQE has stronger feature extraction ability and can abstract more prominent fault information from negative-sequence current signals. The proposed method for locating faults significantly outperforms other commonly employed machine learning models, and it is immune to various levels of noise. Furthermore, the proposed method can perform well with a high fault location accuracy in a new system.

Autonomous Underwater Vehicles (AUVs) with multi-modal transmission can achieve high efficient data collection for underwater sensor networks. However, multi-modal transmission and trajectory planning impose great challenges on data collection in complex underwater environments. Most prior studies focus on design of multi-modal architecture, but lack of available implementation and consideration of AUVs' trajectory. Meanwhile, existing trajectory planning research cannot work well on data collection with multiple complex tasks simultaneously. In this paper, an efficient Data Collection scheme for Multi-modal underwater sensor networks based on Deep reinforcement learning (DCMD) is proposed to solve the above challenges. We first propose an optimal multi-modal transmission selection algorithm that provides an implementation to improve transmission efficiency. Then we propose a distributed multi-AUVs' trajectory planning algorithm based on deep reinforcement learning by AUVs' collaborations, considering transmission situation, ocean currents and underwater obstacles, to maximize collection rate and energy efficiency. In addition, we joint transmission and trajectory planning in a protocol to improve collection efficiency. Extensive experimental results show that DCMD achieves better performance on efficiency and reliability than four state-of-the-art methods, demonstrating its great advantage on collecting data for USNs.

The residue of fungicides in food packaging paper materials is one of the important factors leading to food safety problems, which poses a serious threat to public health. (2-benzothiazolylthio) methyl thiocyanate (TCMTB) is an important anti-mildew fungicide, which is widely used in wood and paper industry. In order to ensure the health of consumers, it is of great significance to establish an efficient and sensitive rapid detection method for TCMTB in food packaging materials. In this study, we prepared monoclonal antibody (mAb) against TCMTB with the IC50value of 7.60 ng/mL, and subsequently developed an immunochromatographic assay (ICA) strip based on the mAb for the rapid detection of TCMTB residues. The calculated detection limit of the ICA strip in food packaging paper was 3.20 ng/g, and the recovery rate was within an acceptable range, ranging from 97.7% to 102.7%. Therefore, the developed ICA is expected to realize the rapid screening of TCMTB residues in food packaging paper.

The homologous cytokines macrophage migration inhibitory factor (MIF) and d-dopachrome tautomerase (d-DT or MIF2) play key roles in cancers. Molecules binding to the MIF tautomerase active site interfere with its biological activity. In contrast, the lack of potent MIF2 inhibitors hinders the exploration of MIF2 as a drug target. In this work, screening of a focused compound collection enabled the identification of a MIF2 tautomerase inhibitor R110. Subsequent optimization provided inhibitor 5dwith an IC50of 1.0 μM for MIF2 tautomerase activity and a high selectivity over MIF. 5dsuppressed the proliferation of non-small cell lung cancer cells in two-dimensional (2D) and three-dimensional (3D) cell cultures, which can be explained by the induction of cell cycle arrest via deactivation of the mitogen-activated protein kinase (MAPK) pathway. Thus, we discovered and characterized MIF2 inhibitors (5d) with improved antiproliferative activity in cellular models systems, which indicates the potential of targeting MIF2 in cancer treatment.

Diuron (DR) as a chemical herbicide persists in soil and water for a long time and causes extensive harm to humans. We have produced an excellent monoclonal antibody (mAb) with the ability to sensitively and specifically recognize DR in water and sugarcane samples. The semi-inhibitory concentration (IC50) of this mAb was 0.28 ng mL−1, and the limit of detection (LOD) was 0.07 ng mL−1. Based on the mAb, an immunochromatographic assay (ICA) strip was developed. The visual detection limits of the strip assay were estimated, and the critical values of DR in water and sugarcane samples were determined to be 5 and 10 ng mL−1, respectively, when assessed by the naked eye. The ICA strip was validated by HPLC-MS for water and sugarcane samples which had been spiked with DR. This ICA strip could be a useful tool for in-site and rapid detection of DR in water and sugarcane samples.

Using single-shot velocity map imaging technique, explosion imaging of different ion species ejected from 50 nm SiO2nanoparticles are obtained excitedly by strong near-infrared and ultraviolet femtosecond laser fields. Characteristic momentum distributions showing forward emission of the ions at low excitation intensities and shock wave behaviors at high intensities are observed. When the excitation intensity is close to the dissociative ionization threshold of the surface molecules, the resulting ion products can be used to image the instant near-field distributions. The underlying dynamics of shock formation are simulated by using a Coulomb explosion model. Our results allow one to distinguish the ultrafast strong-field response of various molecular species in nanosystems and will open a new way for further exploration of the underlying dynamics of laser-and-nanoparticle interactions.

The ubiquitin-like protein NEDD8 is a critical signaling molecule implicated in the functional maintenance and homeostasis of cells. Dysregulation of this process is involved in a variety of human diseases, including cancer. Therefore, NEDD8-activating enzyme E1 (NAE), the only activation enzyme of the neddylation pathway, has been an emergent anticancer target. In view of the single-agent modest response of the clinical NAE inhibitor, pevonedistat (compound 1, MLN4924), efforts on development of new inhibitors with both high potency and better safety profiles are urgently needed. Here, we report a structural hopping strategy by optimizing the central deazapurine framework and the solvent interaction region of compound 1, leading to compound 26bearing a pyrimidotriazole scaffold. Compound 26not only has compatible potency in the biochemical and cell assays but also possesses improved pharmacokinetic (PK) properties than compound 1. In vivo, compound 26showed significant antitumor efficacy and good safety in xenograft models.

The clinical development of natural product tanshinone I (1) for cancer therapy is hampered by its weak potency and poor drug-like properties. Herein, a more broad and systemic structural modification on 1was conducted to generate four series of new tanshinone derivatives. Among them, the lactam derivative 22hdemonstrated the most potent antiproliferative activity against KB and drug-resistant KB/VCR cancer cells, which are approximately 13- to 49-fold more potent than 1. Compound 22hpossesses significantly improved drug-like properties including aqueous solubility (15.7 mg/mL), metabolic stability of liver microsomes, and PK characters (T1/2= 2.58 h; F= 21%) when compared to 1. Preliminary mechanism studies showed that 22hsignificantly induced apoptosis of HCT116 cells, at least partially, through activation of caspase-3/-7. More importantly, administration of 22hat 10 mg/kg significantly suppressed the tumor growth of HCT116 xenograft in vivo without significant loss of body weight of the tested nude mice.

•NAC combined with AH is effective in treating pneumonia.•NAC combined with AH alleviates clinical symptoms of pneumonia.•NAC combined with AH reduces inflammatory response in pneumonia.•NAC combined with AH improves blood gas and immune function in pneumonia.•NAC combined with AH improves lung function in pneumonia.

A high-level infrared dynamic patterned encoder (IR-DPE) possesses prospective applications for energy-harvesting and information, but a simple and reliable method for fabrication remains challenging. Herein, we first report an IR-DPE with multiple thermal radiation characteristics based on polyaniline (PANI). Specifically, the electron-beam evaporation technique is introduced to obtain the divanadium pentoxide (V2O5) coating, and then the V2O5film acts as an oxidant to drive in situ polymerization of the PANI film. During the process, we experimentally explore the relationship between the thickness of V2O5and the emissivity of PANI to obtain up to six emissivity levels and achieve the IR pattern integrated into multiple thermal radiation characteristics. The device shows multiple thermal radiation characteristics at the oxidized state, realizing a pattern visible with the IR camera and the same thermal radiation properties at the reduced state, leading to the pattern concealed in the IR regime. In addition, the highest emissivity tunability of the device is to be tuned from 0.40 to 0.82 (Δε = 0.42) at 2.5–25 μm. Meanwhile, the device exhibits a maximum temperature control of up to 5.9 °C. The results show the enormous potential of IR-DPEs for IR information transfer and thermal management.

In this study, a gold labelled immunochromatographic assay was developed to detect tigecycline (TGC) in human serum. For this purpose, an anti-TGC monoclonal antibody, 2G7, was produced and characterized, and was found to have a 50%-inhibitory concentration (IC50) of 2.303 ng mL−1and a limit of detection (LOD) of 0.215 ng mL−1for TGC. This strip assay had a visual limit of detection (vLOD) of 50 ng mL−1and a cut-off value of 1000 ng mL−1for TGC in human serum, when assessed by eye. With the aid of a strip scan reader, a quantitative determination of TGC was obtained with a calculated limit of detection (cLOD) of 15.03 ng mL−1. Analysis of TGC in human serum indicated that the results of our strip assay compared well with results obtained using ic-ELISA and LC-MS/MS. Therefore, this strip assay represents a sensitive and reliable method for the on-site detection of TGC in serum samples.

Zearalenone (ZEN) is a kind of estrogen-like mycotoxin which contaminates primary crops and their products under natural conditions and becomes a serious hazard to human health. In this study, we prepared a sensitive and specific anti-ZEN monoclonal antibody (mAb) belonging to the IgG2b subclass, with a 50%-inhibitory concentration of 0.034 ng mL−1. A lateral flow fluorescence microsphere immunochromatographic test strip (FM-ICTS) for the rapid and ultrasensitive detection of zearalenone in corn and wheat samples was developed based on this mAb. After optimizing experimental parameters, the visual limit of detection (LOD) of the strip assay in both corn and wheat samples was 2.5 ng mL−1, and the cut-off value was 25 ng mL−1. The LOD was calculated to be 0.68 ng mL−1in corn samples and 0.48 ng mL−1in wheat samples. Recovery experiments showed that the test results of the strip were consistent with those of ic-ELISA. As a result, this FM-ICTS assay is reliable, simple and sensitive, and can be used for rapid detection of ZEN in corn and wheat.

In this study, a highly specific and sensitive monoclonal antibody (mAb) against lambda-cyhalothrin (LCT) was prepared. The half maximal inhibitory concentration (IC50) in the ic-ELISA was 1.2 ng mL−1and the limit of detection (LOD) value was 0.2 ng mL−1. Based on the mAb, an immunochromatographic strip (ICS) was developed to qualitatively and quantitatively detect LCT in cabbage, parsley, spinach, and green tea samples. The results from the qualitative test can be observed with the naked eye within 10 min, and from quantitative detection experiments the linear detection ranges for cabbage, parsley, spinach, and green tea samples were 2.3–122.0, 1.5–98.2, 2.1–145.5, and 6.6–129.7 ng g−1, respectively. Furthermore, recovery experiments were carried out at three spiked concentrations of LCT (5, 20, and 80 ng g−1), and the recoveries of the ICS in vegetable samples ranged from 81.2% to 96.7%, with a coefficient of variation (CV) of less than 8.1%. For green tea, the recoveries of the ICS were from 80.4% to 90.7%, with a CV of less than 8.7%. The ICS assay established in this study can be used for the qualitative and quantitative determination of LCT residues in foods and agricultural products.

Companion animals have recently been proposed as ideal translational models of human aging due to their shared susceptibility for certain diseases, similar environments, and sophisticated veterinary medicine diagnostics, all of which are not possible in rodent laboratory models. Here, we introduce and propose the study of companion animals in China as a largely untapped resource in academic and veterinary aging research. Pet ownership rates along with economic gains in the pet industry have skyrocketed over the last decade in China. Yet, the majority of research institutions still focus on agricultural animal research, not companion animals. In this perspective, we compare available pet ownership rates between the USA, the European Union, and China before focusing on the potential of companion animal aging research in China. In addition, we highlight some ethical considerations that must be addressed before large-scale companion animal aging research can be completed.

Macrophage migration inhibitory factor (MIF) is a cytokine with key roles in inflammation and cancer, which qualifies it as a potential drug target. Apart from its cytokine activity, MIF also harbors enzyme activity for keto–enol tautomerization. MIF enzymatic activity has been used for identification of MIF binding molecules that also interfere with its biological activity. However, MIF tautomerase activity assays are troubled by irregularities, thus creating a need for alternative methods. In this study, we identified a 7-hydroxycoumarin fluorophore with high affinity for the MIF tautomerase active site (Ki= 18 ± 1 nM) that binds with concomitant quenching of its fluorescence. This property enabled development of a novel competition-based assay format to quantify MIF binding. We also demonstrated that the 7-hydroxycoumarin fluorophore interfered with the MIF–CD74 interaction and inhibited proliferation of A549 cells. Thus, we provide a high-affinity MIF binder as a novel tool to advance MIF-oriented research.

Dinitolmide is a nitro amide coccidiostat used in poultry feed, and is a potential threat to the environment and human health. In this study, a monoclonal antibody (mAb) against dinitolmide was prepared and an immunochromatographic assay (ICA) was developed to detect residual dinitolmide in chicken tissue. The results show that the mAb exhibited high sensitivity, with a limit of detection as low as 9.01 ng mL−1. A cross reactivity test revealed that the mAb also had good specificity for dinitolmide. This ICA method showed a visible limit of detection of 2.5 μg kg−1, and a cut-off value of 25 μg kg−1for testing dinitolmide in chicken sample extract by using the naked eye. Importantly, these observations using our ICA, were comparable to other methods of detection such as liquid chromatography, tandem mass spectrometry and indirect competitive enzyme-linked immunosorbent assays (IC-ELISA). These data suggest that our ICA method is a reliable, portable, and high-throughput method for the detection of dinitolmide residues in chicken tissue.

Mg-air primary battery is an important energy source with the distinct merits. However, in practical terms, both the utilization efficiency and the cell voltage are much less than the corresponding theoretical values due to the serious self-corrosion and fast anode fouling. Variation of chemical composition of Mg anode is a feasible pathway to refine the discharge performance, but it is only suitable for one specific anode. Involvement of additives in electrolytes is an alternative strategy that is possible suitable for various anodes. Three ionic liquids, choline glycolate ([Ch][GA]), choline salicylate ([Ch][SAL]), and choline 8-hydroxyquinoline-5-sulfonate ([Ch][HQSA]), are synthesized and firstly utilized as the electrolyte additives for Mg-air primary battery. The discharge performance is determined by half-cell and full-cell discharge measurements. The highest specific energy for Mg-air battery based high-purity Mg anode (Hp-Mg) is 2180.18 Wh kg−1with 0.1 M [Ch][SAL] under 2.5 mA cm−2. The excellent performance of [Ch][SAL] is attributed to the cooperation of several items, in which the [SAL]−anion could chelate the Mg2+ions to form the soluble Mg-complex, and the [Ch]+could suppress the self-corrosion of Mg anode and hydrogen evolution. The inferior behavior of [Ch][GA] and [Ch][HQSA] is attributed to the weak or strong chelate ability of [GA]−and [HQSA]−anion toward Mg2+ions. More importantly, the addition of [Ch][SAL] is also suitable for Mg-air primary battery based on AM50, AZ31, and ZK61 anodes. Development of electrolyte additives with various functions is an efficient pathway to refine the discharge performance of Mg-air cell.

Tunneling ionization is at the core of strong-field and attosecond science. In this paper, we present PyStructureFactor — a general Python code towards the calculation of the structure factor in the tunneling ionization rate of common molecules under intense laser fields. The numerical implementation is based on the well-developed weak-field asymptotic theory in the integral representation. The information of the electronic structure of the molecules is obtained via the PySCF quantum chemistry package. PyStructureFactor is a general computational framework that can be utilized to compute the molecular structure factor of various types of molecules, including polar and nonpolar diatomic molecules, degenerate molecules, and open-shell molecules. Examples are given that are benchmarked against known results with good agreements. The present PyStructureFactor is implemented in an efficient manner and is easily applicable towards larger molecules. Program title: PyStructureFactor CPC Library link to program files: https://doi.org/10.17632/td88mhw2sg.1 Developer's repository link: https://github.com/TheStarAlight/PyStructureFactor Licensing provisions: Apache-2.0 Programming language: Python 3 Nature of problem: The structure factor of a molecule in intense laser fields determines its orientation-dependent tunneling ionization rate, which is crucial for the studies of ultrafast molecular dynamics and its control. However, the strong-field community lacks an open-source code to calculate the molecular structure factor, and can only resort to known results of a few molecules. Solution method: We developed the PyStructureFactor program with the structure factor of arbitrary molecules calculated using the weak-field asymptotic theory in the integral representation. The underlying electronic structure necessary for the calculation is obtained using the PySCF quantum chemistry package. Additional comments including restrictions and unusual features: The accuracy of the molecular structure factor calculated by PyStructureFactor is restricted by the level of precision of the electronic structure information extracted from the PySCF package. The running time depends on the size of the molecule, the basis set of the calculation, the level of precision of the electronic structure calculations, and other parameters passed to the program. The example in Fig. 2 took 1.2 seconds to finish on an AMD Ryzen 9 7950X CPU on the WSL Ubuntu 22.04 LTS. [ABSTRACT FROM AUTHOR]

The location pattern of different commercial stores in Shichahai, a historic conservation area in Beijing, was investigated from a street centrality perspective. Many previous studies have investigated the relationship between street centrality and land use patterns or commercial activities at interurban or intraurban scales. We considered Shichahai in this study to determine if street centrality applied at the street scale and if the street network was the only factor influencing the selection of store location. First, the nearest neighbor index, nearest neighbor hierarchical spatial cluster (NNHSC), and kernel density estimation (KDE) methods were used to provide baseline spatial distributions of commercial stores. Second, urban network analysis (UNA) tools were used to measure the street centrality indices under two conditions, with and without the weighting of cultural relics calculated by a principal component analysis (PCA). Finally, both store locations and centrality values at nodes were transformed to one unit (raster pixel) for a correlation analysis. The results showed that three of the four store types were clustered and had their own hotspots that were mostly located in the eastern and central parts of city blocks. The most momentous findings were determined from the street centrality indices. Among the three store types with correlation coefficients above 0.5, all centrality indices with landmark weighting, except straightness, had higher correlations, with closeness with landmark weighting having the highest correlation, followed by betweenness with landmark weighting. Therefore, we statistically concluded that street centrality could apply at the street scale and that the street network was not the only factor that influenced store location pattern, with landmarks also playing a significant role. The results provide guidance in determining the selection strategy for stores in a historic conservation area.

A novel and precise ionic self-assembly (ISA) construction strategy for the self-assembly of polymeric quaternary ammonium salts (polyionene) and Anderson-type polyoxometalate (β-Mo8O264–) to form a three-dimensional nanoflower structure was developed successfully and used for oxidative desulfurization (ODS) of fuels for the first time. Furthermore, the morphologies of the self-assembled structures could be precisely regulated by varying the reaction conditions, including the concentrations of the polyionene and temperature. Additionally, nitrogen sorption analysis indicated the porosity with a surface area up to 140 m2g–1. Remarkably, the nanoflowers showed excellent conversion (98.9%) toward the ODS process with six times of recycling. This could be ascribed to the large amount of active sites dispersed over the relatively high specific area, providing contact with reactants in the ODS process. This facile and innovative fabrication method shed new light on the versatile design and construction of nanostructures.

ABSTRACTAluminium matrix composites reinforced with homogeneously dispersed graphene (Gr/Al) were fabricated by electrostatic self-assembly and powder metallurgy. The microstructure of the composites was observed. The effects of graphene content, applied load and sliding speed on the tribological properties of the composites were also investigated. The results show that graphene is homogeneously dispersed in the aluminium matrix. The coefficient of friction for the composites initially increases and later decreases with increasing graphene content. It is lowest in the 0.3 wt-% Gr/Al composite, which is a decrease of approximately 20% when compared to that of pure aluminium. The coefficient of friction of the composites appears to increase significantly when increasing the applied load. However, it decreases with increases in the sliding speed.

Few p53 regulators participate in selective control of p53-mediated cellular metabolism. How p53-mediated aerobic and glycolytic pathways are negatively regulated remains largely unclear. Here, we identified two KRAB-type zinc-finger proteins, PITA (p53 inhibitor of TIGAR activation) and PISA (p53 inhibitor of SCO2 activation), as selective regulators of p53 in metabolic control. PITA and PISA interact with p53 and specifically suppress transcription of the glycolysis regulator TIGAR and the oxidation phosphorylation regulator SCO2, respectively. Importantly, PITA transgenic mice exhibited increased 6-phosphofructokinase 1 (PFK1) activity and an elevated glycolytic rate, whereas PISA transgenic mice had decreased cytochrome c oxidase activity and reduced mitochondrial respiration. In response to glucose starvation, PITA dissociates from p53, resulting in activation of p53 and induction of TIGAR, which inhibited aerobic glycolysis. Prolonged starvation leads to PISA dissociation from p53 and induction of SCO2 and p53-promoted mitochondrial respiration. The dynamic regulation of PITA and PISA upon metabolic stress is dependent on ATM kinase-mediated phosphorylation of PITA and PISA. Furthermore, in human colorectal cancers, the elevated expression of PITA and PISA correlates with cancer progression. Depletion of PITA or PISA in colorectal cancer cells reduced the cell proliferation, migration and invasion. These results identify PITA and PISA as selective regulators of p53-mediated glycolysis and mitochondrial respiration and provide novel insights into the role of p53 network in cell metabolic control.

Red 2G (R2G), a cheap industrial colorant, cannot be added to food. An anti-R2G monoclonal antibody (mAb) was prepared by immunizing mice with the conjugate of R2G hapten and protein, which based on the 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) method. Indirect competitive enzyme-linked immunosorbent assay (ic-ELISA) and colloidal gold-based immunochromatographic assay (CG-ICA) methods were used to determine R2G in fruit drinks, red wine, and yoghurts. A standard curve of the developed ic-ELISA showed that the IC50of the anti-R2G mAb was 1.02 ng/mL, and limit of detection value (LOD) was 0.21 ng/mL. For the CG-ICA developed, the visual limit of detection values (vLOD) were 2 ng/mL and cut-off values of 100 ng/mL in samples. The results indicated that these two methods could be used to quickly detect R2G in fruit drinks, red wine, and yoghurts.

The idea of aromatherapy, using essential oils, has been considered as an alternative antidepressant treatment. In the present study, we investigated the effect of Roman chamomile essential oil inhalation for two weeks on depressive-like behaviors in Wistar-Kyoto (WKY) rats. We found that inhalation of either Roman chamomile or one of its main components α-pinene, attenuated depressive-like behavior in WKY rats in the forced swim test. Using isobaric tags for relative and absolute quantitation analysis (iTRAQ), we found that inhalation of α-pinene increased expression of proteins that are involved in oxidative phosphorylation, such as cytochrome c oxidase subunit 6C-2, cytochrome c oxidase subunit 7A2, ATPase inhibitor in the hippocampus, and cytochrome c oxidase subunit 6C-2, ATP synthase subunit e, Acyl carrier protein, and Cytochrome b-c1 complex subunit 6 in the PFC (prefrontal cortex). In addition, using the quantitative real-time polymerase chain reaction technique, we confirmed an increase of parvalbumin mRNA expression in the hippocampus, which was shown to be upregulated by 2.8-fold in iTRAQ analysis, in α-pinene treated WKY rats. These findings collectively suggest the involvement of mitochondrial functions and parvalbumin-related signaling in the antidepressant effect of α-pinene inhalation.

AbstractReproductive mechanisms in molluscs have been targets for biological research because of the diverse reproductive strategies exhibited in this phylum. However, little is known about the molecular mechanisms of molluscan reproduction. The whole genome sequence of the Pacific oyster Crassostrea gigastogether with the transcriptomic data-sets provides a powerful platform for studies on the characterization of the genes involved in bivalve reproduction. Reproduction-related genes were screened in this study through analyzing the Pacific oyster genome. Previously identified molluscan reproduction-related genes were used as queries to a BLASTP search against the C. gigasgenome to identify gene candidates encoding similar proteins. Transcriptomic data-sets were analyzed to profile gene candidate expression patterns. We obtained 39 gene candidates with high accuracy encoding reproduction-related genes in the C. gigasgenome, of which 17 are reported in detail, and the rest are identified as new candidate genes involved in reproduction of C. gigas,including nanos, piwi, dax1, and 5-hydroxytryptamine(5-HT) receptors. Among 22 gene candidates, seven were gonad-specifically expressed. The set of reproduction-related genes of C. gigasidentified in this study constitutes a new tool for further research on molecular mechanisms of reproduction in C. gigas.

•An anti-digitoxin monoclonal antibody (mAb) 5D2 was developed and purified, and found to have outstanding specificity, sensitivity, and affinity.•The IC50and LOD values of mAb 5D2 in human plasma determined by ic-ELISA were 0.205 ng/mL and 0.010 ng/mL.•A colloidal gold-based immunochromatographic assay was developed for the purpose of quickly monitoring the concentration of digitoxin in human plasma.•The strip could be evaluated semi-quantitatively by the naked eye, with a visual LOD (vLOD) of 0.5 ng/mL and a cut-off value of 10 ng/mL.

Sika deerare known to prefer oak leaves, which are rich in tannins and toxic to most mammals; however, the genetic mechanisms underlying their unique ability to adapt to living in the jungle are still unclear. In identifying the mechanism responsible for the tolerance of a highly toxic diet, we have made a major advancement by explaining the genome of sika deer. We generated the first high-quality, chromosome-level genome assembly of sika deer and measured the correlation between tannin intake and RNA expression in 15 tissues through 180 experiments. Comparative genome analyses showed that the UGTand CYPgene families are functionally involved in the adaptation of sika deer to high-tannin food, especially the expansion of the UGTfamily 2 subfamily B of UGTgenes. The first chromosome-level assembly and genetic characterization of the tolerance to a highly toxic diet suggest that the sika deer genome may serve as an essential resource for understanding evolutionary events and tannin adaptation. Our study provides a paradigm of comparative expressive genomics that can be applied to the study of unique biological features in non-model animals.

Poly(ADP-ribose) polymerase inhibitors (PARPi) have significant efficacy in treating BRCA-deficient cancers, although resistance development remains an unsolved challenge. Herein, a series of phthalazin-1(2H)-one derivatives with excellent enzymatic inhibitory activity were designed and synthesized, and the structure–activity relationship was explored. Compared with olaparib and talazoparib, compound YCH1899exhibited distinct antiproliferation activity against olaparib- and talazoparib-resistant cells, with IC50values of 0.89 and 1.13 nM, respectively. Studies of the cellular mechanism revealed that YCH1899retained sensitivity in drug-resistant cells with BRCA1/2 restoration or 53BP1 loss. Furthermore, YCH1899had acceptable pharmacokinetic properties in rats and showed prominent dose-dependent antitumor activity in olaparib- and talazoparib-resistant cell-derived xenograft models. Overall, this study suggests that YCH1899is a new-generation antiresistant PARPi that could provide a valuable direction for addressing drug resistance to existing PARPi drugs.

We demonstrate a fast‐switching optically‐compensated bend (OCB) configuration with polymerized liquid crystal photoalignment (PAL). The experimental results show the dependency of the electro‐optical properties of OCB cells on the morphology‐mediated surface anchoring of polymerized liquid crystal PAL. Furthermore, the polymerized liquid crystal PAL exhibits superior stability against UV exposure and thermal stress tests, which make PAL applicable in display and spatial light modulator applications.

Diclofenac (DIC) is often mixed into health products by unscrupulous merchants to claim antirheumatic effects. In this study, A highly sensitive group-selective monoclonal antibody (mAb) was prepared, and an immunochromatographic assay was developed for rapid screening of DIC, diclofenac methyl (DICA) and N-phenylanthranilic acid (PAA) in health teas and health beverages. In our quantitative analysis, the LOQs for the immunochromatographic test strip (ICS) for the detection of DIC (DICA and PAA) in health tea and health beverage were 0.17 (1.13 and 1.34) and 0.12 (0.25 and 0.53) ng/mL, respectively. This method was compared with LC-MS/MS method to detect the spiked samples, and the results were in good agreement with the LC-MS/MS, to verifying the effectiveness of the new method. Therefore, the ICS we have developed appears to be suitable for monitoring in-field residue levels of DIC, DICA and PAA in real samples.

In this study, an innovative competitive immunochromatographic strip sensor was developed for rapid detection of Salmonellabased on a genus-specific antilipopolysaccharide (LPS) monoclonal antibody (mAb) and the heterogeneous coating antigen of a LPS-bovine serum albumin conjugate. Gold nanoparticles labeled anti-LPS mAb specifically reacted with the conserved outer core of the SalmonellaLPS in the sample and the color formed on the T line was negatively correlated with the number of Salmonellacells. The sensitivity of Ra mutant LPS (without O-specific chains but has the conserved outer core) was 25 ng mL–1, which explained the detection of Salmonellaat the genus level. Based on the gray values on the test line, the limit of detection of Salmonellawas 103colony-forming unit (CFU) for all twelve typical strains of Salmonella. The analysis of common Gram-negative and Gram-positive bacteria demonstrated that the strip assay was specific to Salmonella. A milk sample test showed that Salmonellaat a low level (1–5 CFU mL–1) was detected without complex biochemical confirmation steps, sophisticated instruments and professional training. 沙门氏菌属是全球关注的重要食源性致病菌之一. 本文以沙门氏菌属特异性脂多糖抗体与胶体金纳米粒子进行偶联, 并进行固相化, 装配了适合于快速、可视化分析的金标试纸传感器. 裸眼观察下, 金标试纸条可以识别浓度低至25 ng mL−1的沙门氏菌属脂多糖. 结合灰 度扫描分析, 金标试纸对受试的12种沙门氏菌的敏感性可达到103菌落形成单位(CFU). 对牛奶样品进行12 h的富集孵育, 该金标试纸条对 沙门氏菌的检测灵敏度可达1个CFU. 金标试纸传感器无需复杂的前处理过程和专业设备, 操作简单, 有效地提高了致病菌的检测效率.

A heterologous immunoassay has been developed for the determination of sarafloxacin (SRFX) and its analogue residues in milk. A novel hapten with molar mass 499 g was synthesised by introducing a six carbon molecule [6-bromohexanoic acid (BR)] as a spacer arm. This greatly improved the effect of SRFX inducing immune response in mice and enhanced the chance of producing a monoclonal antibody capable of recognising analogues to SRFX. The synthesised hapten [7-(4-(5-carboxypentyl)piperazin-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (SRFX-BR)], to induce an immune response, was conjugated to bovine serum albumin (BSA) (SRFX-BR-BSA) viathe carbodiimide active ester method while the mixed anhydride reaction was used to prepare the coating antigen [SRFX conjugated to ovalbumin (OVA) (SRFX-OVA)] to pursue the heterologous sensitivity. Based on the checkerboard titration, an indirect competitive enzyme-linked immunosorbent assay (icELISA) was developed for the quantitative detection of SRFX and three of its analogues in cattle milk. After optimisation, the immunoassay was found to tolerate up to 15% methanol at a physiological pH (7.4) and a salt (NaCl) concentration of 1.2%. The results of this assay showed a good cross-reactivity to tosufloxacin (64.94%), nadifloxacin (58.14%), pazufloxacin (42.02%), fleroxacin (40.04%), pipemidic acid (34.25%), and ofloxacin (20.08%). These findings demonstrated that the immunoassay is able to detect FQs in milk samples.

An immunochromatographic strip was developed for the semi-quantitative and quantitative detection of biotin in milk and milk products. This detection system was developed based on a sensitive and specific monoclonal antibody produced in our laboratory. The semi-quantitative results, which were visually obtained in 20 min, revealed that the visual limit of detection was 2.0 μg/100 g with a cut-off value of 8.0 μg/100 g. The quantitative results, which are obtained with a strip scan reader, revealed that the calculated limit of detection was 0.32 μg/100 g with a linear range of 0.65–68 μg/100 g. Biotin contents in milk and milk products were determined by using the developed immunochromatographic strip, and the results were validated by the microbiological assay method. Our developed immunochromatographic strip system is suitable for the on-site detection and rapid screening of biotin in food samples.

Olaquindox (OLA), mequindox (MEQ), and quincetone (QCT) are widely used synthetic antibiotics of the quinoxaline-1,4-dioxide family. However, no studies have focused on the detection of sum of OLA, MEQ, and QCT by mAb-based enzyme-linked immunosorbent assay (ELISA). In this study, a specific mAb 2F3 against OLA, MEQ, and QCT was successfully prepared. Furthermore, using the mAb 2F3, an indirect competitive ELISA (icELISA) was developed using MQCA (quinoxaline marker) coupled to OVA as the heterologous coating antigen. Under optimized assay conditions, the IC50values were 1.03, 1.54, and 1.73 ng ml−1for OLA, MEQ, and QCT, respectively. The recoveries ranged from 82.1% to 96.3%, and no cross-reactivity with other compounds was detected except for carbadox (0.9%). The developed icELISA was rapid and reliable for the determination of sum of OLA, MEQ, and QCT in fish feed.

A pair of sensitive monoclonal antibodies against both Xanthomonas oryzae pv. oryzaeand Xanthomonas oryzae pv. oryzicolawere generated by immunizing mice and cell fusion techniques. The sandwich enzyme-linked immunosorbent assay method and immunochromatographic test strip were developed based on newly generated monoclonal antibodies for detection in rice samples. The lower limit of detection of the sandwich ELISA method for X. oryzae pv. oryzaewas 1.0 × 104cfu mL−1. The cut-off values for the immunochromatographic test strip for X. oryzae pv. oryzaeand X. oryzae pv. oryzicolain rice samples were 3.3 × 105cfu mL−1and 1 × 106cfu mL−1, respectively. The quantitative sandwich ELISA method and rapid immunochromatographic test strip assay could be useful for food safety inspections.

An indirect competitive enzyme-linked immunosorbent assay (ic-ELISA) was developed based on a sensitive and specific monoclonal antibody (mAb) against natamycin (Nata) for Nata detection in milk, juice, yoghurt, and cheese samples. The working range of ic-ELISA was 0.64–4.46 μg L−1with an IC50value of 1.69 μg L−1. The average recoveries of milk, juice, yoghurt, and cheese samples spiked with Nata were 103–121%, 103–121%, 84–114%, and 89–108%, respectively. The results indicated that ic-ELISA can be effectively applied for Nata analysis in these food products.

Difenoconazole is triazole fungicide, widely used to prevent the growth and reproduction of fungi and to control fungal diseases in fruits and vegetables. In this work, we prepared a hapten of difenoconazole and produced a highly-sensitive anti difenoconazole-monoclonal antibody (mAb) with an IC50of 0.64 ng/mL. Using the mAb, an immunochromatographic assay (ICA) was developed to analyze difenoconazole residues in pear and cucumber samples. The ICA exhibited LOD values of 2.60 and 2.30 ng/g for difenoconazole in pear and cucumber samples, respectively. The ICA showed average recoveries of difenoconazole ranging from 94.3% ± 3.6%–105.4% ± 1.6%, and CVs of 1.5–4.2% in cucumber and pear samples. When used to measure difenoconazole in samples, the ICA results were compatible with those detected by LC/MSMS. The results of this study support the idea that an ICA is a practical and effective tool for high-throughput and rapid analysis of difenoconazole residues in vegetables and fruits.

As the least toxic heavy metal, monoelemental bismuth nanomaterials with several superiorities are the ideal theranostic agents. However, bismuth nanoparticles are easily oxidized by oxygen in air or media, limiting their clinical application. In contrast, the oxidization of Bi0to Bi3+can activate the chemodynamic therapy (CDT) by transferring endogenous H2O2into •OH. Herein, a well-designed Bi-DMSNs@PCM nanosystem was prepared via in situgrowth of Bi nanodots and a coating of phase-change material (PCM) on the surface of dendritic mesoporous silica nanoparticles (DMSNs). The coated PCM protects the Bi nanodots from oxidation by keeping them in the Bi0state for more than 15 d. When irradiated using the near infrared-II (NIR-II) laser with a low power density (0.5 W/cm2), the heat generated from the Bi nanodots melts the PCM shell to trigger CDT through a Fenton-like reaction, accompanied by heat-induced photothermal therapy (PTT). Notably, the CDT can also compensate for the reduced PTT effect caused by the oxidation of Bi nanodots, and a satisfactory treatment effect is realized. Additionally, photoacoustic and computed tomography imaging properties were obtained. Our strategy transfers the detrimental self-oxidation of bismuth to a beneficial therapeutic mode, enhancing the potential of Bi for clinical use.