Mode Of Interaction Research Articles

Design, synthesis, bioactivity, X-ray crystallography, and molecular docking studies of chrysin-1,3,5-triazine derivatives as anticancer agents.

Design, synthesis, bioactivity, X-ray crystallography, and molecular docking studies of chrysin-1,3,5-triazine derivatives as anticancer agents.

Electrochemical interpretations for the study of molnupiravir binding interactions with bovine serum albumin and DNA and molecular dynamics studies.

Electrochemical interpretations for the study of molnupiravir binding interactions with bovine serum albumin and DNA and molecular dynamics studies.

ExposomeX: Development of an Integrative Exposomic Platform to Expedite Discovery of the "Exposure-Biology-Disease" Nexus.

We proposed presenting a novel integrated platform, ExposomeX, that was created to expedite discovery of the "exposure-biology-disease" nexus. This platform has six major functions, i.e., exposome database (E-DB), biological link (E-BIO), statistical analysis (E-STAT), mass spectrometry data processing (E-MS), meta-analysis (E-META), and data visualization (E-VIZ). Twenty-three supporting databases were curated for this platform, encompassing the exposome and diseases together with their related biological pathways and molecules, to build their interaction network. The network nodes included up to 119,247,057 unique exposures, 17,186 diseases, 153,780 proteins, 19,122 metabolites, and 572,278 annotated pathways, while the network links included 10 interaction modes, e.g., exposure and protein (3,971,005 pairs), exposure and GO (28,632 pairs), protein and disease (10,153 pairs), gene and disease (108,298,474 pairs), GO and disease (3,085,406 pairs), and associations between exposures and diseases for meta-analysis and review summary (1244 pairs). ExposomeX allows effective analysis of multidimensional exposomic data as well as investigations of the "exposure-biology-disease" nexus through explorations of the association strengths, which was well-validated by reanalyzing three typical multiomics data sets. All the aforementioned functions were implemented using R programming and integrated into a web-based server to enhance user interaction through an online interactive platform (http://www.exposomex.cn).

Synthesis, Characterization and Biological Profile of Cationic Cobalt Complexes with First-Generation Quinolones

The interaction of cobalt(II) with first-generation quinolones oxolinic acid (Hoxo), flumequine (Hflmq), pipemidic acid (Hppa) and cinoxacin (Hcx) in the presence of the N,N′-donor heterocyclic ligands 2,2′-bipyridine (bipy) or 1,10-phenanthroline (phen) afforded a series of novel cobalt complexes, namely [Co(bipy)2(oxo)](PF6)2·H2O (1), [Co(phen)2(oxo)](PF6)2·0.5CH3OH·0.5H2O (2), [Co(bipy)2(flmq)](PF6)2·0.5CH3OH·0.5H2O (3), [Co(bipy)2(ppa)](PF6)2·CH3OH·0.5H2O (4), [Co(phen)2(cx)](PF6)2·CH3OH·0.5H2O (5), and [Co(phen)2(flmq)](PF6)·0.5CH3OH·H2O (6). The characterization of the complexes involved physicochemical techniques, various spectroscopies and single-crystal X-ray crystallography. The affinity of complexes to calf-thymus (CT) DNA was monitored with various techniques, suggesting intercalation in-between the DNA-nucleobases as the most probable interaction mode, which may be combined with electrostatic interactions as a result of the cationic nature of the complexes. The affinity of the complexes for bovine and human serum albumin proteins was monitored, and the determined corresponding albumin-binding constants revealed a tight and reversible interaction.

Investigation on the Application of Digital Humanities Technology and Practical Effects in Museums in the Beijing Area: A Case Study of the Palace Museum

This paper takes the museums in the Beijing area as the research object and selects the Palace Museum as a typical case to explore the current application situation and actual effects of digital humanities technology in the protection of cultural heritage exhibition display and optimization of audience interactive experience. Through the combination of literature review and field investigation methods this paper systematically combs through the application achievements and existing deficiencies of digital humanities technology in museums at home and abroad. The research finds that digital humanities technology has significant advantages in aspects such as digital display of cultural relics virtual reality experience and intelligent guided tours. It can effectively break through the physical limitations of traditional museum displays and provide audiences with a more immersive and interactive visiting experience. At the same time there is still room for improvement in data integration information depth and cross-media narratives. Based on the analysis of the digital practices of the Palace Museum and other museums this paper proposes optimization strategies such as constructing a three-dimensional communication system reconstructing the narrative dimension of cultural relics innovating the interactive experience mode and building a resource sharing network providing theoretical support and practical references for promoting the digital transformation of museums in Beijing and even across the country and the protection of cultural heritage.

Mesoscopic modeling the interaction of two attached-wall cavitation bubbles.

A hybrid thermal lattice Boltzmann cavitation model based on a nonorthogonal framework is developed to investigate the interaction of two attached-wall cavitation bubbles. The interaction modes are systematically analyzed, with an emphasis on how varying contact angles influence the flow and temperature distributions, as well as the evolution of wall heat flux under strong and weak interaction conditions. Bubbles formed on the hydrophobic surface display increased contact radius and greater curvature radii compared to those on the hydrophilic wall, leading to greater volumes but weaker collapse intensity. The growth rate of the bubble equivalent radius for the weak interaction modes consistently follows the relation U∝2p∞/3ρl. Additionally, bubble coalescence occurs at the interface regions along the hydrophobic surface, altering the final collapse dynamics and resulting in distinct temperature and velocity distributions. Finally, the instantaneous heat flux characteristics are explored. Due to differences in the contact points motion rate and microjet angle with the solid wall, the peak value and number of heat flux peaks vary on walls with different wettability.

Isoprenaline shows unique kinase dependencies in stimulating β1AR-β-arrestin2 interaction compared to endogenous catecholamines.

Isoprenaline shows unique kinase dependencies in stimulating β1AR-β-arrestin2 interaction compared to endogenous catecholamines.

Pursuing ultrahigh strength–ductility CoCrNi-based medium-entropy alloy by low-temperature pre-aging

Pursuing ultrahigh strength–ductility CoCrNi-based medium-entropy alloy by low-temperature pre-aging

Unbiased VQA via modal information interaction and question transformation

Unbiased VQA via modal information interaction and question transformation

Design, synthesis, and activity evaluation of indole derivatives as potential stabilizers for p53 Y220C.

Design, synthesis, and activity evaluation of indole derivatives as potential stabilizers for p53 Y220C.

Approaches to Determining the Interaction Modes of Budgetary-Tax and Monetary Policy

Approaches to Determining the Interaction Modes of Budgetary-Tax and Monetary Policy

Homeostasis in input-output networks: Structure, Classification and Applications.

Homeostasis in input-output networks: Structure, Classification and Applications.

Day-to-day Social Interactions Online and Offline: The Interplay Between Interaction Mode, Interaction Quality, and Momentary Well-being

Digital social interactions differ in many ways from face-to-face interactions. This study examines four preregistered hypotheses on the within-person interplay between interaction mode (i.e., digital vs. face-to-face interactions), interaction quality, and momentary well-being. Young adults from Spain ( N 1 = 216) and the Netherlands ( N 2 = 22)—provided 5,116 and 1,386 Ecological Momentary Assessments (EMA), respectively. In the Spanish sample, there were no differences in interaction quality between digital and face-to-face interactions, whereas in the Dutch sample, digital interactions were of higher quality. Interaction quality was positively associated with momentary well-being in both samples. Momentary well-being was higher after face-to-face interactions in the Spanish but not in the Dutch sample. Interaction quality did not mediate the relationship between interaction mode and well-being; instead, it moderated it in the Spanish sample. Although interaction quality was consistently associated with momentary well-being, it only partially explains why face-to-face interactions differ from digital ones.

Effectiveness and optimization of a hysteretic absorber for response mitigation

Abstract The response of a linear primary structure to harmonic excitation notably changes when a nonlinear device is added, similar to the case of a viscoelastic tuned mass damper. Here, a hysteretic absorber is considered, described by the simplest version of the Bouc-Wen model. The hysteresis nonlinearity of the added element strongly affects the response of the structure, investigated through a 2DOF system, depending on the closeness to internal resonance conditions, with differences in the modal interactions between the cases close to 1:1 and 2:1 internal resonances. With respect to the search for optimized solutions, a map for the optimal selection of the model parameters is defined, which provides a useful tool for absorber design and offers insight into the relationship among the absorber parameters. The analysis of the system behavior under impulsive excitation confirms the results obtained with respect to the performance of the optimized absorbers.

Investigation and design of the dual specificity of the PRDM9 protein lysine methyltransferase

The PRDM9 protein lysine methyltransferase is essential in meiotic recombination where it trimethylates H3K4 and H3K36 in chromatin. However, it is not known how this enzyme can specifically methylate these two substrates despite their dissimilar amino acid sequences. Using biochemical and molecular dynamics simulation approaches, we uncover that PRDM’s unique dual substrate specificity is based on distinct interaction modes of the enzyme with both substrates. Our data show that PRDM9 interacts with the H3K4 and H3K36 peptides through a bipartite peptide binding cleft, comprising one part specific for H3K4 but tolerating H3K36, and a second part with the opposite properties. Binding of the H3K4 and H3K36 peptide substrates occurs in slightly different conformations which enables the specific recognition of both substrates. While wildtype PRDM9 showed higher activity on H3K4 peptides, site-directed mutagenesis of residues involved in PRDM9-peptide contacts allowed us to strongly modulate the K4/K36 preferences creating mutants with elevated preference for H3K4, mutants with equal methylation of both substrates and even mutants with preference for H3K36. Our data illustrate evolutionary pathways to swap the sequence specificity of PKMTs by few amino acid exchanges, a process that happened several times in the divergent evolution of PKMTs.

Groundwater influence on vegetation: water source, waterlogging, or both?

From a broad, global-to-hillslope perspective, I will discuss some observational evidence and model results suggesting that the groundwater can directly influence vegetation through three mechanisms: as a water source for plant root uptake in dry places/times where/when the water table is accessible, as a cause for waterlogging and soil anoxia where/when the water table is too near the surface, and as a double-stressor if the water table fluctuates wildly, too deep in dry times but too shallow in wet times. as a water source for plant root uptake in dry places/times where/when the water table is accessible, as a cause for waterlogging and soil anoxia where/when the water table is too near the surface, and as a double-stressor if the water table fluctuates wildly, too deep in dry times but too shallow in wet times. The dominance of each mechanism, and the resulting mode of vegetation feedback, can be analyzed in a 2D space, with the climate on one axis, and the topographic structure on the other, forming a climotopo-matrix to frame the distinct modes of groundwater-vegetation interactions. On top of this framework, the subsurface structure of the Critical Zone forms a 3rd dimension that regulates the infiltration and water table depths, further enriching the models of groundwater-vegetation interactions. I will end by posing a set of hypotheses as food for further thoughts.

Towards Hazard Analysis Result Verification for Autonomous Ships: A Formal Verification Method Based on Timed Automata

Enhancing the safety standards of autonomous ships is a shared objective of all stakeholders involved in the maritime industry. Since the existing hazard analysis work for autonomous ships often exhibits a degree of subjectivity, in the absence of data support, the verification of hazard analysis results has become increasingly challenging. In this study, a formal verification method in a risk-based assessment framework is proposed to verify the hazard analysis results for autonomous ships. To satisfy the characteristics of high time sensitivity, time automata are adopted as a formal language while model checking based on the formal verification tool UPPAAL is used to complete the automatic verification of the liveness of system modeling and correctness of hazard analysis results derived from extended System-Theoretic Process Analysis (STPA) by traversing the finite state space of the system. The effectiveness of the proposed method is demonstrated through a case study involving a remotely controlled ship. The results indicate that the timed automata network model for remotely controlled ships, based on the control structure, has no deadlocks and operates correctly, which demonstrates its practicability and effectiveness. By leveraging the verification of risk analysis results based on model checking, the framework enhances the precision and traceability of these inputs into RBAT. The results disclose the significance of the collaborative work between safety and system engineering in the development of autonomous systems under the definition of human–computer interaction mode transformation. These findings also hold reference value for other intelligent systems with potential hazards.

Discrimination Model of Interaction Between Hydraulic Fracture and Natural Fracture Based on Energy Balance

Hydraulic fracturing technology has been extensively applied for the efficient development of unconventional reservoirs. Influenced by geological discontinuities such as naturally fractured weak planes, the complex interaction behaviors between hydraulic fractures and natural fractures significantly challenge the prediction of hydraulic fracture propagation paths. Establishing interaction discrimination models to predict these behaviors proves crucial for characterizing post-stimulation fracture complexity. This study develops a discrimination model for hydraulic-natural fracture interactions based on fracture mechanics theory and energy balance principles. The critical conditions of hydraulic fracture crossing, natural fracture opening, and slippage are quantified, and the interaction propagation behavior of hydraulic fracture and natural fracture under different geological parameters is analyzed. Key findings reveal three interaction modes after fracture intersection: direct hydraulic fracture crossing, natural fracture opening, and natural fracture slippage. However, continuous fluid injection-induced pressure buildup within fractures ultimately drives hydraulic fracture crossing through natural fractures. Threshold effects emerge at specific hydraulic fracture lengths (0.5 m) and fracture toughness values (2 MPa·m0.5), governing the transition between direct crossing and natural fracture opening behaviors. Horizontal stress difference directly modulates the threshold values of natural fracture cohesion, friction coefficient, and approach angle. These three parameters collectively control the temporal sequence of hydraulic fracture crossing behaviors through natural fractures. The interaction discrimination model established in this study provides theoretical guidance for optimizing fracturing parameter design in fractured reservoirs.

Evaluating Human-Robot Interfaces for Maneuvering Surgical Laparoscopes using Robotic Scope Assistant Systems

Robotic scope assistant systems allow surgeons to adjust the operative field view during surgery by robotically maneuvering laparoscopes. A Human-Robot Interface (HRI) is used for issuing commands to these systems, with an interaction mode mapping these commands to laparoscope movements. Optimizing the HRI and interaction mode can streamline laparoscope positioning as well as reduce cognitive workload, helping the surgeon focus on the surgical procedure. Comparing and assessing various HRIs and interaction modes is essential for efficient laparoscope maneuvering. This study evaluates HRIs based on head-motion, eye-motion, hand-motion, and voice-input operating under three interaction modes (namely: discrete, continuous, and threshold). The participants performed a user study comparing different HRIs under two simulated surgical scenarios (one in a real environment and the other in a virtual environment). The results indicated that head and eye-based HRIs performed well in continuous interaction mode, while the voice-based interface suffered from a delay. Conversely, hand-based HRIs demonstrated superior performance in both scenarios across all evaluation parameters. The study provides a benchmark for the comparison of different HRIs and provides insights into the effectiveness, limitations, and potential advantages of different HRIs.

HIV-1 Nef activates proviral DNA transcription by recruiting Src kinase to phosphorylate host protein Nef-associated factor 1 to compromise its viral restrictive function.

HIV-1 accessory protein Nef is a multifunctional pathogenic factor; however, the modulation of Nef on proviral DNA transcription of latently infected virus is not well understood. This study demonstrates Nef's role in activating HIV-1 proviral DNA transcription and uncovers the underlying cellular mechanism. Nef recruits Src kinase to phosphorylate Naf1, and the phosphorylation of Naf1 converts its normal restrictive role to coordinate with Nef to activate proviral DNA transcription by stimulating the downstream PI3K/AKT/mTOCR1/CDK9 cellular pathway. These findings also report a new interaction mode between host factors and viral proteins in regulating HIV-1 replication.