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In the work, the 1/2 order subharmonic wave of two coupling cavitation bubbles is investigated numerically via Fourier spectrum analysis. By analyzing the dynamics of bubble, we find that the mutual interaction between bubbles can affect the appearance of 1/2 order subharmonic. The results of parameter dependence show that the intensity of 1/2 order subharmonic would be promoted or inhibited with the increase of mutual interaction. The higher the driving amplitude or the smaller the distance between bubbles, the stronger the mutual interaction is, and also the greater the promotion or suppression of the 1/2 order subharmonic is. Moreover, while the 1/2 order subharmonic occurs, the energy of bubble would alternate between two different peaks, and the temperature inside bubble has a similar fluctuation while the bubble collapses. This qualitative analysis suggests that the bubble's dynamics for multi-bubble case is complex. Understanding the generation of subharmonic of bubble's dynamics is of great significance for helpful applying of cavitation bubble.
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Effective representation of molecules is a crucial step in AI-driven drug design and drug discovery, especially for drug-drug interaction (DDIs) prediction. Previous work usually models the drug information from the drug-related knowledge graph or the single drug molecules, but the interaction information between molecular substructures of drug pair is seldom considered, thus often ignoring the influence of bond information on atom node representation, leading to insufficient drug representation. Moreover, key molecular substructures have significant contribution to the DDIs prediction results. Therefore, in this work, we propose a novel Graph learning framework of Mutual Interaction Attention mechanism (called GMIA) to predict DDIs by effectively representing the drug molecules. Specifically, we build the node-edge message communication encoder to aggregate atom node and the incoming edge information for atom node representation and design the mutual interaction attention decoder to capture the mutual interaction context between molecular graphs of drug pairs. GMIA can bridge the gap between two encoders for the single drug molecules by attention mechanism. We also design a co-attention matrix to analyze the significance of different-size substructures obtained from the encoder-decoder layer and provide interpretability. In comparison with other recent state-of-the-art methods, our GMIA achieves the best results in terms of area under the precision-recall-curve (AUPR), area under the ROC curve (AUC), and F1 score on two different scale datasets. The case study indicates that our GMIA can detect the key substructure for potential DDIs, demonstrating the enhanced performance and interpretation ability of GMIA.
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Desenho de Fármacos , Descoberta de Drogas , Área Sob a Curva , Interações MedicamentosasRESUMO
The MADS-box transcription factor APETELA1 (AP1) is crucially important for reproductive developmental processes. The function of AP1 and the classic LFY-AP1 interaction in woody plants are not widely known. Here, the OfAP1-a gene from the continuously flowering plant Osmanthus fragrans 'Sijigui' was characterized, and its roles in regulating flowering time, petal number robustness and floral organ identity were determined using overexpression in Arabidopsis thaliana and Nicotiana tabacum. The expression of OfAP1-a was significantly induced by low ambient temperature and was upregulated with the floral transition process. Ectopic expression OfAP1-a revealed its classic function in flowering and flower ABC models. The expression of OfAP1-a is inhibited by LEAFY (OfLFY) through direct promoter binding, as confirmed by yeast one-hybrid and dual luciferase assays. Arabidopsis plants overexpressing OfAP1-a exhibited accelerated flowering and altered floral organ identities. Moreover, OfAP1-a-overexpressing plants displayed variable petal numbers. Likewise, the overexpression of OfLFY in Arabidopsis and Nicotiana altered petal number robustness and inflorescence architecture, partially by regulating native AP1 in transformed plants. Furthermore, we performed RNA-seq analysis of transgenic Nicotiana plants. DEGs were identified by transcriptome analysis, and we found that the expression of several floral homeotic genes was altered in both OfAP1-a and OfLFY-overexpressing transgenic lines. Our results suggest that OfAP1-a may play important roles during floral transition and development in response to ambient temperature. OfAP1-a functions as a petal number modulator and may directly activate a subset of flowers to regulate floral organ formation. OfAP1-a and OfLFY mutually regulate the expression of each other and coregulate genes that might be involved in these phenotypes related to flowering. The results provide valuable data for understanding the function of the LFY-AP1 module in the reproductive process and shaping floral structures in woody plants.
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Proteínas de Arabidopsis , Arabidopsis , Arabidopsis/metabolismo , Temperatura , Fatores de Transcrição/genética , Proteínas de Arabidopsis/genética , Fenótipo , Flores/metabolismo , Plantas Geneticamente Modificadas/genética , Regulação da Expressão Gênica de Plantas , Proteínas de Domínio MADS/genética , Proteínas de Domínio MADS/metabolismo , Proteínas de Plantas/genética , Proteínas de Plantas/metabolismoRESUMO
The prediction of drug-target protein interaction (DTI) is a crucial task in the development of new drugs in modern medicine. Accurately identifying DTI through computer simulations can significantly reduce development time and costs. In recent years, many sequence-based DTI prediction methods have been proposed, and introducing attention mechanisms has improved their forecasting performance. However, these methods have some shortcomings. For example, inappropriate dataset partitioning during data preprocessing can lead to overly optimistic prediction results. Additionally, only single non-covalent intermolecular interactions are considered in the DTI simulation, ignoring the complex interactions between their internal atoms and amino acids. In this paper, we propose a network model called Mutual-DTI that predicts DTI based on the interaction properties of sequences and a Transformer model. We use multi-head attention to extract the long-distance interdependent features of the sequence and introduce a module to extract the sequence's mutual interaction features in mining complex reaction processes of atoms and amino acids. We evaluate the experiments on two benchmark datasets, and the results show that Mutual-DTI outperforms the latest baseline significantly. In addition, we conduct ablation experiments on a label-inversion dataset that is split more rigorously. The results show that there is a significant improvement in the evaluation metrics after introducing the extracted sequence interaction feature module. This suggests that Mutual-DTI may contribute to modern medical drug development research. The experimental results show the effectiveness of our approach. The code for Mutual-DTI can be downloaded from https://github.com/a610lab/Mutual-DTI.
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Descoberta de Drogas , Proteínas , Descoberta de Drogas/métodos , Proteínas/química , Desenvolvimento de Medicamentos/métodos , Redes Neurais de Computação , AminoácidosRESUMO
As evolutionarily conserved signaling cascades, AhR and Wnt signaling pathways play a critical role in the control over numerous vital embryonic and somatic processes. AhR performs many endogenous functions by integrating its signaling pathway into organ homeostasis and into the maintenance of crucial cellular functions and biological processes. The Wnt signaling pathway regulates cell proliferation, differentiation, and many other phenomena, and this regulation is important for embryonic development and the dynamic balance of adult tissues. AhR and Wnt are the main signaling pathways participating in the control of cell fate and function. They occupy a central position in a variety of processes linked with development and various pathological conditions. Given the importance of these two signaling cascades, it would be interesting to elucidate the biological implications of their interaction. Functional connections between AhR and Wnt signals take place in cases of crosstalk or interplay, about which quite a lot of information has been accumulated in recent years. This review is focused on recent studies about the mutual interactions of key mediators of AhR and Wnt/ß-catenin signaling pathways and on the assessment of the complexity of the crosstalk between the AhR signaling cascade and the canonical Wnt pathway.
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The interaction between compositional ratios, namely, SiO2/Al2O3, Na2O/Al2O3, H2O/Na2O and the liquid-to-solid ratio, triggers mutual sacrifice between workability, setting time and strength for N-A-S-H geopolymers. The present study characterizes the mechanism underlying the effect of these compositional ratios and, in turn, develops guidelines for mixture design that requires a simultaneous and satisfactory delivery of these engineering properties. The experimental results show that an increase in either the SiO2/Al2O3, Na2O/Al2O3 or H2O/Na2O ratio raises the liquid-to-solid ratio, which in turn improves the workability of fresh mixtures. A continuous increase beyond 2.8 for the SiO2/Al2O3 ratio boosts its strength, but also significantly extends its final set. Lowering the Na2O/Al2O3 ratio from 1.3 to 0.75 raises the compressive strength significantly, while the shortest final set was seen at the median value, 1.0. A H2O/Na2O ratio of 9~10 yields the highest strength and the fastest final set simultaneously, due to the maximized degree of geopolymerization. Moreover, the accompanying sensitivity analysis indicates that the workability depends chiefly upon the H2O/Na2O ratio, the final setting time on the SiO2/Al2O3 ratio and, that the compressive strength relies on both of them. Also, this study proposes an optimal range of 2.8~3.6 for SiO2/Al2O3, 0.75~1.0 for Na2O/Al2O3 and 9~10 for H2O/Na2O to guarantee high strength, together with high flow and within the allowable final setting time. Furthermore, multi-factor predictive models are established with acceptable accuracy for practitioners to regulate oxide compositions in N-A-S-H geopolymers, which will guide future mixture design.
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Gene expression is mediated by a series of regulatory proteins, i.e., transcription factors. Under different growth conditions, the transcriptional regulation of structural genes is associated with the recognition of specific regulatory elements (REs) in promoter DNA. The manner by which transcription factors recognize distinctive REs is a key question in structural biology. Previous research has demonstrated that Ino2p/Ino4p heterodimer is associated with the transcriptional regulation of phospholipid biosynthetic genes. Mechanistically, Ino2p/Ino4p could specifically recognize the inositol/choline-responsive element (ICRE), followed by the transcription activation of the phospholipid biosynthetic gene. While the promoter DNA sequence for Ino2p has already been characterized, the structural basis for the mutual interaction between Ino2p/Ino4p and their binding interface with promoter DNA remain relatively unexplored. Here, we have determined the crystalline structure of the Ino2pDBD/Ino4pDBD/DNA ternary complex, which highlights some residues (Ino2pHis12/Glu16/Arg20/Arg44 and Ino4pHis12/Glu16/Arg19/Arg20) associated with the sequence-specific recognition of promoter DNA. Our biochemical analysis showed that mutating these residues could completely abolish protein-DNA interaction. Despite the requirement of Ino2p and Ino4p for interprotein-DNA interaction, both proteins can still interact-even in the absence of DNA. Combined with the structural analysis, our in vitro binding analysis demonstrated that residues (Arg35, Asn65, and Gln69 of Ino2pDBD and Leu59 of Ino4pDBD) are critical for interprotein interactions. Together, these results have led to the conclusion that these residues are critical to establishing interprotein-DNA and protein-DNA mutual interactions.
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Fatores de Transcrição Hélice-Alça-Hélice Básicos , Regulação Fúngica da Expressão Gênica , Regiões Promotoras Genéticas , Proteínas de Saccharomyces cerevisiae , Fatores de Transcrição , Fatores de Transcrição Hélice-Alça-Hélice Básicos/genética , Fatores de Transcrição Hélice-Alça-Hélice Básicos/metabolismo , DNA/genética , DNA/metabolismo , Regulação Fúngica da Expressão Gênica/genética , Regulação Fúngica da Expressão Gênica/fisiologia , Fosfolipídeos/metabolismo , Regiões Promotoras Genéticas/genética , Regiões Promotoras Genéticas/fisiologia , Saccharomyces cerevisiae/genética , Saccharomyces cerevisiae/metabolismo , Proteínas de Saccharomyces cerevisiae/genética , Proteínas de Saccharomyces cerevisiae/metabolismo , Fatores de Transcrição/genética , Fatores de Transcrição/metabolismoRESUMO
The two human pathogens Helicobacter pylori and Mycobacterium tuberculosis (Mtb) co-exist in many geographical areas of the world. Here, using a co-infection model of H. pylori and the Mtb relative M. bovis bacillus Calmette-Guérin (BCG), we show that both bacteria affect the colonization and immune control of the respective other pathogen. Co-occurring M. bovis boosts gastric Th1 responses and H. pylori control and aggravates gastric immunopathology. H. pylori in the stomach compromises immune control of M. bovis in the liver and spleen. Prior antibiotic H. pylori eradication or M. bovis-specific immunization reverses the effects of H. pylori. Mechanistically, the mutual effects can be attributed to the redirection of regulatory T cells (Treg cells) to sites of M. bovis infection. Reversal of Treg cell redirection by CXCR3 blockade restores M. bovis control. In conclusion, the simultaneous presence of both pathogens exacerbates the problems associated with each individual infection alone and should possibly be factored into treatment decisions.
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Helicobacter pylori/patogenicidade , Infecções por Mycobacterium/microbiologia , Mycobacterium tuberculosis/patogenicidade , Linfócitos T Reguladores/microbiologia , Animais , Linfócitos T CD8-Positivos/imunologia , Linfócitos T CD8-Positivos/microbiologia , Infecções por Helicobacter/imunologia , Infecções por Helicobacter/microbiologia , Camundongos Endogâmicos C57BL , Mycobacterium bovis/patogenicidade , Mycobacterium tuberculosis/imunologiaRESUMO
Co-hydrothermal carbonization (HTC) of livestock manure and biomass might improve the fuel properties of the hydrochar due to the high reactivity of the biomass-derived intermediates with the abundant oxygen-containing functionalities. However, the complicated compositions make it difficult to explicit the specific roles of the individual components of biomass played in the co-HTC process. In this study, cellulose was used for co-HTC with swine manure to investigate the influence on the properties of the hydrochar. The yield of hydrochar obtained from co-HTC reduced gradually with the cellulose proportion increased, and the solid yield was lower than the theoretical value. This was because the cellulose-derived intermediates favored the stability of the fragments from hydrolysis of swine manure. The increased temperature resulted in the reduction of the hydrochar yield whereas the prolonged time enhanced the formation of solid product. The interaction of the co-HTC intermediates facilitated the formation of O-containing species, thus making the solid more oxygen- and hydrogen-rich with a higher volatility. In addition, the co-HTC affected the evolution of functionalities like -OH and CO during the thermal treatment of the hydrochar and altered its morphology by stuffing the pores from swine manure-derived solid with the microspheres from HTC of cellulose. The interaction of the varied intermediates also impacted the formation of amines, ketones, carboxylic acids, esters, aromatics and the polymeric products in distinct ways.
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Celulose , Esterco , Animais , Biomassa , Carbono , Hidrogênio , Hidrólise , Suínos , TemperaturaRESUMO
Tannins represent a heterogeneous group of high-molecular-weight polyphenols that are ubiquitous among plant families, especially in cereals, as well as in many fruits and vegetables. Hydrolysable and condensed tannins, in addition to phlorotannins from marine algae, are the main classes of these bioactive compounds. Despite their low bioavailability, tannins have many beneficial pharmacological effects, such as anti-inflammatory, antioxidant, antidiabetic, anticancer, and cardioprotective effects. Microbiota-mediated hydrolysis of tannins produces highly bioaccessible metabolites, which have been extensively studied and account for most of the health effects attributed to tannins. This review article summarises the effect of the human microbiota on the metabolism of different tannin groups and the expected health benefits that may be induced by such mutual interactions. Microbial metabolism of tannins yields highly bioaccessible microbial metabolites that account for most of the systemic effects of tannins. This article also uses explainable artificial intelligence to define the molecular signatures of gut-biotransformed tannin metabolites that are correlated with chemical and biological activity. An understanding of microbiota-tannin interactions, tannin metabolism-related phenotypes (metabotypes) and chemical tannin-metabolites motifs is of great importance for harnessing the biological effects of tannins for drug discovery and other health benefits.
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The design and construction of mutual interaction models between artificial microsystems and living cells have the potential to open a wide range of novel applications in biomedical and biomimetic technologies. In this study, an artificial form of invasion-defense mutual interactions is established in a community of glucose oxidase (GOx)-containing liquid coacervate microdroplets and living cells, which interact via enzyme-mediated reactive oxygen species (ROS) damage. The enzyme-containing coacervate microdroplets, formed via liquid-liquid phase separation, act as invader protocells to electrostatically bind with the host HepG2 cell, resulting in assimilation. Subsequently, the glucose oxidation in the liquid coacervates initiates the generation of H2 O2 , which serves as an ROS resource to block cell proliferation. As a defense strategy, introduction of catalase (CAT) into the host cells is exploited to resist the ROS damage. CAT-mediated decomposition of H2 O2 leads to the ROS scavenging and results in the recovery of cell viability. The results obtained in the current study highlight the remarkable opportunities for the development of mutual interacting communities on the interface of artificial protocells/living cells. They also provide a new approach for engineering cellular behaviors through exploiting artificial nonliving microsystems.
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Células Artificiais , Glucose OxidaseRESUMO
Graphene oxide (GO) may strongly interact with toxic metal ions and mineral particles upon release into the soil environment. We evaluated the mutual effects between GO and Ni (Ni(II)) with regard to their adsorption and co-adsorption on two minerals (goethite and hematite) in aqueous phase. Results indicated that GO and Ni could mutually facilitate the adsorption of each other on both goethite and hematite over a wide pH range. Addition of Ni promoted GO co-adsorption mainly due to the increased positive charge of minerals and cation-π interactions, while the presence of GO enhanced Ni co-adsorption predominantly due to neutralization of positive charge and strong interaction with oxygen-containing functional groups on adsorbed GO. Increasing adsorption of GO and Ni on minerals as they coexist may thus reduce their mobility in soil. Extended X-ray absorption fine structure (EXAFS) spectroscopy data revealed that GO altered the microstructure of Ni on minerals, i.e., Ni formed edge-sharing surface species (at RNi-Feâ¼3.2 Å) without GO, while a GO-bridging ternary surface complexes (at RNi-Câ¼2.49 Å and RNi-Feâ¼4.23 Å) was formed with GO. These findings improved the understanding of potential fate and toxicity of GO as well as the partitioning processes of Ni ions in aquatic and soil environments.
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Compostos Férricos/química , Grafite/química , Modelos Químicos , Níquel/química , Adsorção , Compostos de Ferro , Minerais , Óxidos , Solo , Análise Espectral , Água/química , Raios XRESUMO
In this study, Bifidobacterium bifidum WBBI03 and Listeria monocytogenes CMCC 54001 were selected to detect the changes in their growth pattern after mutual interaction between them. The proteomic changes after the interaction between the 2 bacteria were detected by the isobaric tags for relative and absolute quantitation method. The proteins related to the biosynthesis and cell reproduction were selected, and their changes at the transcriptional level were monitored by fluorescent quantitative PCR. Also, 3 other types of probiotic organisms and opportunistic pathogens were used to verify the results mentioned above. The results showed that growing the 2 organisms together could promote the growth of each other, resulting in earlier entry into the logarithmic phase. The results also showed that the expression of these proteins mostly tended to be upregulated at the translational and transcriptional level. The increase in the expression of these proteins might help promote the growth and reproduction of B. bifidum WBBI03 and L. monocytogenes CMCC 54001. One aspect of the biological significance of their presence in the normal intestine may be that the opportunistic pathogens promote the growth of the probiotics.
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Bifidobacterium bifidum/fisiologia , Listeria monocytogenes/fisiologia , Animais , Probióticos/metabolismo , ProteômicaRESUMO
Altering physical actions when responding to changing environmental demands is important but not always effectively performed. This ineffectiveness, which is an error of social behavior generated by mutual interactions, is not well understood. This study investigated mechanisms of a hesitant behavior that occurs in people walking toward each other, causing people to move in the same direction when attempting to avoid a collision. Using a motion capture device affixed to 17 pairs, we first confirmed the hesitant behavior by a difference between the experimental task, which involved an indeterminate situation to assess the actions of another individual, and the control task, which involved a predetermined avoiding direction, in a real-time situation involving two people. We next investigated the effect of three external factors: long distance until an event, synchronized walking cycle, and different foot relations in dyads on the hesitant behavior. A dramatic increase in freezing and near-collision behavior occurred in dyads for which the avoiding direction was not predetermined. The behavior related with the combination of long distance until an event, synchronized walking cycle, and different foot relations in dyads. We found that the hesitant behavior is influenced by an interpersonal relationship under enough distance to predict other movement. The hesitant behavior has possibly emerged as an undesired by-product of joint action. These results contribute to our understanding of the mechanisms of adaptive control of perception-action coupling in mutual interaction.
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Synechococcus leopoliensis CCAP1405/1 cannot grow on common solid media; however, the strain can grow when co-cultured with Bacillus subtilis 168. Gene-disruptant strains of B. subtilis 168 by pMUTINs at the following sites lost the ability to support the growth of S. leopoliensis CCAP1405/1 on agar media: yxeO and yufO (transporter), yxdK (histidine kinase), sdhC (succinate dehydrogenase), yvgQR (sulfite reductase), acoB (acetoin dehydrogenase), yusE (thioredoxin), yrdA (function unknown). Involvement of the assimilatory sulfate reduction pathway was the suggested reason for loss of the function.
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Bacillus subtilis/genética , Proteínas de Bactérias/genética , Synechococcus/crescimento & desenvolvimento , Bacillus subtilis/metabolismo , Proteínas de Bactérias/metabolismo , Meios de Cultura/metabolismo , Organismos Geneticamente Modificados/genética , Organismos Geneticamente Modificados/metabolismo , Synechococcus/genética , Synechococcus/metabolismoRESUMO
BACKGROUND AIMS: Tendon is a complex tissue with a reduced regenerative ability. Nowadays, little or nothing is known about the regenerative effect of adipose-derived mesenchymal stromal cells (ADSCs) on tendons. METHODS: The study aimed to evaluate the in vitro mutual interaction of ADSCs and tenocytes in standard culture conditions and a microwound healing model. Tenocyte viability, microwound recovery and the expression of genes encoding for the main extracellular matrix components and ADSC viability, differentiation and growth factor gene expression were evaluated. RESULTS: The effects of ADSCs on tenocytes were observed more in the microwound healing model, in which the rate of microwound healing and the expression of decorin, tenascin and collagens were significantly increased. The influence of tenocytes on ADSCs was also found in standard culture conditions: ADSCs were directed toward a tenogenic lineage, and growth factor expression increased. CONCLUSIONS: This study clarifies some aspects of the mutual interaction of ADSCs and tenocytes and provides in vitro evidence for a possible future application of ADSCs as a therapeutic strategy for tendon repair.