Research on Topic Recognition Based on Multilayer Relation Fusion

In this poster, we present a review of the current research status of multi-relational fusion and systematically summarize the multiple relationships among different measurement entities and entities in the scientific literature. Further, we propose a multi-relational extraction and relational fusion approach to thematic identification. We divide the relationships for topic recognition into three types—basic, enhancing, and supplement—that can be formed by integrating co-occurrence, citation, and co-authorship relationships. Finally, as an empirical analysis, we use the PathSelClus algorithm to realize topic clustering based on multivariate relation fusion. Empirical analysis confirms that multivariate relational fusion can effectively improve the effectiveness of topic clustering.</p

Faba Bean–Wheat Intercropping Can Control the Occurrence of Faba Bean Fusarium Wilt by Alleviating the Inhibitory Effect of Benzoic Acid on Disease Resistance Metabolism and the Expression of Resistance Genes

Background: Continuous cropping leads to the accumulation of autotoxic substances in faba beans, which limits their global production. Intercropping is widely used to alleviate these problems. Aim: This study aims to explore the important role of Fusarium oxysporum f. sp. fabae (FOF) and benzoic acid stress in enhancing the occurrence of faba bean Fusarium wilt and the potential mechanism of faba bean–wheat intercropping to control the occurrence of this disease. Methods: We analyzed the pathogenic mechanism of FOF and benzoic acid and the defense response of faba bean–wheat intercropping against the autotoxicity of benzoic acid under hydroponic conditions that included the pathogen alone and in combination with different concentrations of benzoic acid. Results: The dual stress of FOF and benzoic acid inhibited the activity of defensive enzymes, the synthesis of defensive substances, and the expression of defensive genes in faba bean roots and reduced the disease resistance of faba bean. This shows that benzoic acid plays an important role in helping FOF cause disease. Faba bean–wheat intercropping improves plant resistance by alleviating benzoic acid stress and reducing the incidence and disease index of Fusarium wilt. Conclusion: The dual stress of FOF and benzoic acid promotes the occurrence of faba bean Fusarium wilt by destroying the root defense system of faba bean. Faba bean–wheat intercropping can effectively alleviate the autotoxicity of benzoic acid and control the occurrence of Fusarium wilt by improving the physiological and biochemical resistance of faba beans and the expression of defense genes

Seasonal crime component.

<p>A comparison between the raw crime data and the SSA seasonal component (grey) for Houston (blue) and Los Angeles (red). The trend is subtracted from the data and then the data is smoothed using a moving window average. As the oscillations are related to the total amount of crime, the data and seasonal component have been divided by the trend pointwise in time to normalize the oscillations. Note that the seasonal oscillations are on the same order compared to the trend level of crime across all crime types. Even when the level of crime is low, a fairly consistent oscillation is seen. Note the large aberration in the Los Angeles data just after the 2008 crash. Such social catastrophes can override any seasonality and lead to dramatic changes in future crime rates.</p

Los Angeles temperature data.

<p>In the top panel, the daily average of high and low temperature for Los Angeles is plotted in red. The green curve is the SSA trend, and the dark green curve is the seasonal component plus the trend. In the bottom panel, the seasonal component alone is shown. The temperature variations in Los Angeles are extremely regular, though the summer of 2006 does appear unusually warm. The aberrations in crime seasonality are far larger, and less consistent than the temperature variations.</p

Complete assembly of the chloroplast genome of <i>Amorphophallus coaetaneus</i> S. Y. Liu & S. J. Wei 1986 (Araceae) from southwestern China

Amorphophallus coaetaneus S. Y. Liu & S. J. Wei 1986 is a perennial herb belonging to the Araceae family in southwestern China (Guangxi and Yunnan provinces). Although this species have not been list in the red list of International Union for Conservation of Nature (IUCN), the populations are declining due to human over exploitation. To help to genetic diversity studies, we sequenced and assembled the complete chloroplast (cp) genome of A. coaetaneus (GenBank accession number of national center for biotechnology information (NCBI): OQ404947). The assembled genome revealed 175,465 bp in length with a GC content of 34.90%, including a large single-copy (LSC) region (98,561 bp), a small single-copy (SSC) region (16,504 bp) and two inverted repeat regions (IRs) (30,200 bp each). A total of 133 genes were annotated, of which 85 are protein-coding genes, 40 are tRNA genes and 8 are rRNA genes. As an output of this study, a maximum likelihood (ML) phylogenetic inference of 16 Araceae species clustered all four Amorphophallus species in one clade, and showed a relatively close relationship between the tribes Pythonieae and Colocasieae. The cp genome will serve as a basis in a more extensive molecular works covering all possible extant population of Amorphophallus, as well as conservation, breeding, and other ethnobotanical utilization of this species.</p

Additional_File_1_Basic_information_of_TPS_members_xyz3109977a2a7da_1 – Supplemental material for Delineation of the Crucial Evolutionary Amino Acid Sites in Trehalose-6-Phosphate Synthase From Higher Plants

Supplemental material, Additional_File_1_Basic_information_of_TPS_members_xyz3109977a2a7da_1 for Delineation of the Crucial Evolutionary Amino Acid Sites in Trehalose-6-Phosphate Synthase From Higher Plants by Rong Wang, Congfen He, Kun Dong, Xin Zhao, Yaxuan Li and Yingkao Hu in Evolutionary Bioinformatics</p

Molecular Insights into the Binding Behavior of Imidazolium Ionic Liquids to the Receptor Binding Domain of the SARS-CoV‑2 Spike Protein

The receptor-binding domain (RBD) of the SARS-CoV-2 spike protein is considered as a key target for the design and development of COVID-19 drugs and inhibitors. Due to their unique structure and properties, ionic liquids (ILs) have many special interactions with proteins, showing great potential in biomedicine. Nevertheless, few research studies have been carried out on ILs and the spike RBD protein. Here, we explore the interaction of ILs and the RBD protein through large-scale molecular dynamics simulations (4 μs in total). It was found that IL cations with long alkyl chain lengths (nchain) could spontaneously bind to the cavity region of the RBD protein. The longer the alkyl chain is, the stabler the cations bind to the protein. The binding free energy (ΔG) had the same trend, peaking at nchain = 12 with −101.19 kJ/mol. The cationic chain lengths and their fit to the pocket are decisive factors that influence the binding strength of cations and proteins. The cationic imidazole ring has a high contact frequency with phenylalanine and tryptophan, and the hydrophobic residues phenylalanine, valine, leucine, and isoleucine are the most interacting residues with side chains of cations. Meanwhile, through analysis of the interaction energy, the hydrophobic and π–π interactions are the main contributors to the high affinity between cations and the RBD protein. In addition, the long-chain ILs would also act on the protein through clustering. These studies not only provide insights into the molecular interaction between ILs and the RBD of SARS-CoV-2 but also contribute to the rational design of IL-based drugs, drug carriers, and selective inhibitors as a therapeutic for SARS-CoV-2

Molecular Insights into the Binding Behavior of Imidazolium Ionic Liquids to the Receptor Binding Domain of the SARS-CoV‑2 Spike Protein

The receptor-binding domain (RBD) of the SARS-CoV-2 spike protein is considered as a key target for the design and development of COVID-19 drugs and inhibitors. Due to their unique structure and properties, ionic liquids (ILs) have many special interactions with proteins, showing great potential in biomedicine. Nevertheless, few research studies have been carried out on ILs and the spike RBD protein. Here, we explore the interaction of ILs and the RBD protein through large-scale molecular dynamics simulations (4 μs in total). It was found that IL cations with long alkyl chain lengths (nchain) could spontaneously bind to the cavity region of the RBD protein. The longer the alkyl chain is, the stabler the cations bind to the protein. The binding free energy (ΔG) had the same trend, peaking at nchain = 12 with −101.19 kJ/mol. The cationic chain lengths and their fit to the pocket are decisive factors that influence the binding strength of cations and proteins. The cationic imidazole ring has a high contact frequency with phenylalanine and tryptophan, and the hydrophobic residues phenylalanine, valine, leucine, and isoleucine are the most interacting residues with side chains of cations. Meanwhile, through analysis of the interaction energy, the hydrophobic and π–π interactions are the main contributors to the high affinity between cations and the RBD protein. In addition, the long-chain ILs would also act on the protein through clustering. These studies not only provide insights into the molecular interaction between ILs and the RBD of SARS-CoV-2 but also contribute to the rational design of IL-based drugs, drug carriers, and selective inhibitors as a therapeutic for SARS-CoV-2

Effect of Interlayer Spaces and Interfacial Structures on High-Performance MXene/Ionic Liquid Supercapacitors: A Molecular Dynamics Simulation

The combination of high-capacitance MXenes and wide-electrochemical-window ionic liquids (ILs) has exhibited bright prospects in supercapacitors. Several strategies, such as surficial functionalization and interlayer spacing tuning, have been used to enhance the electrochemical performance of supercapacitors. However, the lack of theoretical guidance on these strategies, including the effects of the microenvironment in the interlayer of confined ILs, hindered the further exploration of such devices. Herein, we performed molecular dynamics simulations to comprehensively investigate the effects of the interlayer space and surface terminations of MXene electrodes on capacity. The results show that the electrical double layer (EDL) structure was found to form on the interface between the MXene electrode and ILs electrolyte by analyzing the ion number density and charge density in the nanometer confined spaces. Under the same potential, the −OH terminations significantly impact the ion orientation in the EDL, particularly near the electrode surface, where cations tend to align vertically, allowing the retention of more cations at the electrode surfaces. Interestingly, such an orientation distribution was decisively from the hydrogen bonds expressed by O–H···O between the −OH termination of MXene and −OH groups of ILs. The differential capacitances of the supercapacitors were calculated by the surficial electron density, and it showed that the capacitance is a nearly one-quarter increase in the 14 Å interlayer spacing compared with that of 10 Å under an applied potential of 2 V. At the same time, the Ti3C2(OH)2 electrode had a higher differential capacitance than the Ti3C2O2 electrode, which possibly originates from the stronger hydrogen bonds to contribute to the vertical aggregation of the cations. Our results highlighted the roles of the interlayer spacing distance and surface terminations of the MXene on the performance of the type of supercapacitor