Internal Interactions Research Articles

The Docking and Dynamics Simulation of Natural Compounds from Abrus precatorius L. for Investigating the Possibility of GluR3 Inhibition to Treat Depression

Background The rising incidence of Major Depressive Disorder (MDD), in conjunction with the inadequate effectiveness and resistance observed in existing therapeutic approaches, emphasizes the urgent need to investigate novel therapeutics that provide enhanced efficacy with reduced adverse effects. Abrus precatorius L., an herb that is readily available and frequently utilized in traditional medicine, is frequently prescribed to patients suffering from neurological disorders. Purpose The goal of this study is to discover novel active compounds from the A. precatorius plant that can specifically target the GluR3 receptor using in silico techniques, to develop a safe and efficient treatment for MDD. Methods Homology modeling, molecular docking, molecular dynamics simulation, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis were employed in this investigation to screen compounds derived from A. precatorius. Their potential to inhibit α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor activity, specifically glutamate receptor 3 (GluR3), which is associated with MDD, was the objective of this study. Results Among 31 compounds derived from A. precatorius, 15 successfully cleared the ADMET filter criteria. Subsequently, the best homology model of GluR3 was constructed using Phyre2. This facilitated an investigation into the intramolecular interactions exhibited by the filtered compounds. Notably, the four compounds with the most pronounced binding affinities are identified by their PubChem compound IDs (CIDs): 160511, 44257585, 1983, and 145857. The binding affinity and internal molecular interactions of the top-ranking compound, PubChem CID 160511, were subjected to further validation through MD simulations, affirming its sustained stability in binding. Conclusion CIDs: The compound 160511 cleared ADMET analysis with no notable side effects and high binding affinity and stability, making it a potential drug candidate for MDD. To ascertain the precise efficacy of medications, additional in vitro, in vivo, and clinical studies are required.

Structural Characterization and Hydration Dynamics of Cross-Linked Collagen and Hyaluronic Acid Scaffolds by Nuclear Magnetic Resonance.

Understanding a biomaterial's structural and hydration dynamics is essential for its development and applications in tissue regeneration. In this study, collagen-hyaluronic acid (HA) scaffolds were analyzed utilizing Nuclear Magnetic Resonance (NMR) techniques to elucidate how different cross-linking conditions influence the internal architecture and interaction with solvents in these scaffolds. The scaffolds were fabricated using 3D printing and cross-linked with 1,4-butanediol diglycidyl ether (BDDGE), a process known to impact their mechanical properties. We gained insights into the microstructural organization and hydration behavior within the scaffolds when exposed to water and ethanol by employing proton relaxation and diffusion measurements. To better understand the system's performance, static and dynamic experiments were performed. Our results indicate that the degree of cross-linking affects the scaffold's ability to retain water, with higher cross-linking leading to more rigid structures. This also altered the hydration dynamics mainly due to a difference in the diffusion of water within the scaffold. In addition, the anisotropy of the collagen fibers also decreases with the cross-linking. Ethanol, a less polar solvent, provided a contrasting environment that further revealed the structural dependencies on the cross-linking density. The study's findings contribute to a deeper understanding of how the structure and morphology affect the functionality of collagen-HA scaffolds, offering critical information for optimizing their design for specific biomedical applications, such as soft tissue regeneration. Our experiments show how NMR is a valuable tool to provide information on dynamic processes not only in collagen-HA scaffolds but also in many biocompatible polymeric samples. The outcomes of this research provide a foundation for future work aimed at tailoring scaffold properties to enhance their performance in clinical settings, ultimately advancing the field of tissue engineering.

Laboratory study of the breaking and energy distribution of internal solitary waves over a ridge

The breaking and energy distribution of mode-1 depression internal solitary wave interactions with Gaussian ridges are examined through laboratory experiments. A series of processes, such as shoaling, breaking, transmission and reflection, are captured completely by measuring the velocity field in a large region. It is found that the maximum interface descent ( $a_{max}$ ) during wave shoaling is an important parameter for diagnosing the type of wave–ridge interaction and energy distribution. The wave breaking on the ridge depends on the modified blockage parameter $\zeta _m$ , the ratio of the sum of the upper layer depth and $a_{max}$ to the water depth at the top of the ridge. As $\zeta _m$ increases, the interaction type transitions from no breaking to plunging and mixed plunging–collapsing breaking. Within the scope of this experiment, the energy distribution can be characterized solely by $\zeta _m$ . The transmission energy decreases monotonically with increasing $\zeta _m$ , and there is a linear relationship between $\zeta _m^2$ and the reflection coefficient. The value of $a_{max}$ can be determined from the basic initial parameters of the experiment. Based on the incident wave parameters, the depth of the upper and lower layers, and the topographic parameters, two new simple methods for predicting $a_{max}$ on the ridge are proposed.

Fabrication of biodegradable polyvinyl alcohol-based plastics toward technical lignin valorization

The fabrication of composite materials from lignin has attracted increasing attention to reducing the dependence of petrochemical-based resources on carbon neutrality. However, the low content of lignin in the biocomposites remains a challenge. Herein, industrial lignin is fractionated by an organic solvent to reduce its structural heterogeneity. Subsequently, the fractionated lignin samples are integrated with polyvinyl alcohol (PVA) to fabricate plastics characterized by uniform thickness and smooth surfaces. The resultant composite films exhibit tensile strength and strain up to 75 MPa and 1050%, respectively, which surpass state-of-the-art lignin-based bioplastics. The mechanism investigations reveal that the enhanced mechanical properties are due to the internal non-covalent interactions derived from the hydroxyl groups of lignin and PVA. Notably, the PVA/lignin films are biodegradable after 92 days' burial in soil. This study paves the way for the rational design of lignin-based biodegradable polymers as sustainable alternatives to conventional plastics.

Great influence of demagnetization history on internal interaction and magnetization process of mischmetal-based magnets

Great influence of demagnetization history on internal interaction and magnetization process of mischmetal-based magnets

Exploiting light energy utilization strategies in Populus simonii through multitrait-GWAS: insights from stochastic differential models.

The photosynthetic phenotype of trees undergoes changes and interactions that reflect their abilities to exploit light energy. Environmental disturbances and genetic factors have been recognized as influencing these changes and interactions, yet our understanding of the underlying biological mechanisms remains limited, particularly in stochastic environments. Here, we developed a high-dimensional stochastic differential framework (HDSD) for the genome-wide mapping of quantitative trait loci (QTLs) that regulate competition or cooperation in environment-dependent phenotypes. The framework incorporates random disturbances into system mapping, a dynamic model that views multiple traits as a system. Not only does this framework describe how QTLs regulate a single phenotype, but also how they regulate multiple phenotypes and how they interact with each other to influence phenotypic variations. To validate the proposed model, we conducted mapping experiments using chlorophyll fluorescence phenotype data from Populus simonii. Through this analysis, we identified several significant QTLs that may play a crucial role in photosynthesis in stochastic environments, in which 76 significant QTLs have already been reported to encode proteins or enzymes involved in photosynthesis through functional annotation. The constructed genetic regulatory network allows for a more comprehensive analysis of the internal genetic interactions of the photosynthesis process by visualizing the relationships between SNPs. This study shows a new way to understand the genetic mechanisms that govern the photosynthetic phenotype of trees, focusing on how environmental stochasticity and genetic variation interact to shape their light energy utilization strategies.

Rigid-Flexible Coupled Dendritic Molecule Doping: General Approach to Activate Commercial Polymers into Harsh Condition-Tolerant Multi-Reusable Strong Supramolecular Adhesives.

Developing functional adhesives combining strong adhesion, good recyclability and diverse harsh-condition adaptability is a grand challenge. Here, we introduce a general dendritic molecule doping strategy to activate commercial polymers into a new family of supramolecular adhesives integrating high adhesion strength, ultralow temperature, water resistant and multi-reusable properties. Our method involves rational design of a new rigid-flexible coupled dendritic molecule-M4C8OH as a versatile dopant, while simple M4C8OH doping into commercial polymers can modulate internal and external non-covalent interaction to enable H-bonding enhanced interchain cross-linking for tough cohesion along with enhanced interphase interaction. This endows 20 wt % M4C8OH-doped polycaprolactone (PCL) adhesives (PCL-M4C8OH) with improved adhesion strength on various substrates with the maximum increase up to 2.87 times that of PCL. In particular, the adhesion strengths of PCL-M4C8OH on polymethyl methacrylate at 25 °C and -196 °C reach 4.67 and 3.58 MPa-1.9 and 2.3 times those of PCL and superior to diverse commercial adhesives and most reported adhesives. PCL-M4C8OH also displays markedly-improved multi-usability and tolerance against ultralow temperature and diverse wet environments. Mechanism studies reveal the crucial role of M4C8OH molecular structures toward superior adhesion. Our method can be expanded to other polymer matrices, yielding diverse new supramolecular adhesives.

Communication behavior and space utilization of office workers in a research facility's activity‐based workplace

AbstractThis study explores the pre‐ and post‐renovation differences in communication behaviors of office workers at a construction company's research facility that had carried out renovations to promote open innovation through internal and external interactions. We conducted an analysis by combining both objective survey of conversation time, conversation partners, and stay location information using sensing terminals and subjective evaluations by office workers using a questionnaire survey. As the work style transitioned from fixed seats pre‐renovation to activity‐based working post‐renovation, the attendance rate analysis around each worker's personal workspace throughout the measurement period decreased from 74% to 60%, and the tendency to use various places in the office increased. Additionally, the number of conversation partners increased by 1.9 times on average and inter‐department conversation rate increased from 46% to 53% when activity‐based working was performed post‐renovation. However, while the introduction of activity‐based working significantly increased the level of communication satisfaction among workers in other departments, it tended to decrease the level of communication satisfaction within a department. This study maintains that organizational and operational efforts must sustain and promote intra‐departmental communication when activity‐based working is introduced and confirms that the introduction of activity‐based working was effective in promoting interaction between office workers.

Enterprise digitization and marine economic performance: An empirical study of listed enterprises in China's maritime economy.

The scale and connectivity of marine resources make them more complex than land resource management. Although digitization has been recognized as an organizational change process that can effectively improve resource efficiency and enhance network resilience, however, gaps remain in establishing the theoretical links between digitization and marine economic performance. Based on a panel fixed-effects model, this study evaluates the interrelationships and potential mechanisms of different firms with data from annual reports of listed firms in the marine economy in the eastern coastal region of China. The results indicate that there is a 'U-shaped' relationship between digitalization and enterprise efficiency in the maritime sector, and significant heterogeneity exists in the characteristics of these enterprises. Notably, firms' technological innovation capability can modulate the 'U-shaped' relationship through the interaction of economies of scale and economies of scope. This paper highlights how digitization mitigates the fragmentation and sectionalization of marine information and addresses the digital overload and productivity paradox that firms may face in the early stages of digitization. The study suggests that institutional diversity shapes resilience. Governments need to promote top-down regulation and industry collaboration, while marine enterprises need to coevolve collaboratively with them through bottom-up internal communication and external interaction to enhance the value chain of marine enterprises.

Analyzing the Phenomenon of Policy Support for the Education and Employment of Persons with Disabilities Based on the Groupthink Model--Take Hunan Province as an Example

In recent years, the Hunan Provincial government has adopted a series of support measures in the education and employment policies for the disabled. The study focused on the education and employment policy for the disabled in Hunan Province, and used the groupthink model. The study found that there are blind spots in the process of policy formulation and implementation, and the lack of attention to the overall needs of persons with disabilities, resulting in incomplete content and poor implementation. The internal differences and interaction of the disabled affect the support effect, the policy content is limited, the implementation of resistance, and the one-sided evaluation. Policy makers need to pay attention to diverse voices and practical needs, and avoid fixed thinking and prejudice. This study helps to reveal the negative impact of groupthinks on the formulation of education and employment policies for the disabled, provide warnings and reference for policy makers, promote policy innovation and improvement, and promote the inclusive and diverse development of social culture.

Air Pollutant Concentration Forecasting with WTMP: Wavelet Transform-Based Multilayer Perceptron

Atmospheric pollutants’ real-time changes and the internal interactions among various data make it challenging to efficiently predict concentration variations. In order to extract more information from the time series of pollutants and improve the accuracy of prediction models, we propose a type of Multilayer Perceptron model based on wavelet decomposition, named Wavelet Transform-based Multilayer Perceptron (WTMP) model. This model decomposes pollutant data through overlapping discrete wavelet transforms to extract non-stationarity and nonlinear dependencies in the time series. It combines the decomposed data with static covariate information such as data collection time and inputs them into an improved Multilayer Perceptron (MLP) model, reconstructing and outputting the prediction results. Finally, the model is validated using atmospheric pollutant data collected at a specific location in Ruian City, Zhejiang Province, China. The results indicate that the model performs well with minimal prediction errors.

On the kinetics of internal gravity waves beyond the hydrostatic regime

We present a new derivation of the kinetic equation for weak, non-hydrostatic internal gravity wave turbulence. The equation is equivalent to the one obtained by Caillol & Zeitlin (Dyn. Atmos. Oceans, vol. 32, issue 2, 2000, pp. 81–112), but it takes a canonical form. We show that it conserves the energy without involving the resonance condition in frequency, and look for the isotropic part of the steady, scale-invariant solutions. We provide a parametrization of the resonant manifold of non-hydrostatic internal gravity wave triadic interactions. This allows us to simplify the collision integral, and to evaluate the transfer coefficients of all triadic interactions. In the hydrostatic limit, our equation is equivalent to the Hamiltonian description of Lvov & Tabak (Phys. Rev. Lett., vol. 87, issue 16, 2001, 168501).

Social Networks as a Tool for Promoting Intangible Cultural Heritage of Ukrainian Regions (based on the materials of the information and communication content of Vinnytsia Regional Centre of Folk Art)

The purpose of the article is to comprehensively investigate the materials of the informational and communicative content of the Internet site and Facebook page of the Vinnytsia Regional Centre of Folk Art and to reveal the essential aspects of the use of social networks in the conditions of a full-scale invasion as an effective tool for the presentation and popularisation of the intangible cultural heritage of Vinnytsia as a region of Central Ukraine. The research methodology consists of general scientific and specific cultural approaches, principles and methods of scientific knowledge. The systemic-structural approach was applied to the study of the organisational and methodological activities of the Vinnytsia Regional Centre of Folk Art, aimed at popularising the intangible cultural heritage of the region. The internal connections and interaction of various components of the cultural and educational activity of the Centre for Cultural and Educational Activities, aimed at the presentation and popularisation of intangible cultural heritage in the conditions of a full-scale invasion, are revealed by the results of monitoring the materials of the Internet pages of the Centre (the Internet site and Facebook pages). Formal and comparative methods were used to analyse the institutional features of work in the Vinnytsia region as a region of Central Ukraine. The method of content analysis was used to generalise the publications of the Internet site and the information of the Facebook page of the Vinnytsia Regional Centre of Folk Art, dedicated to the intangible cultural heritage of Vinnytsia, contributed to the objective determination of the main thematic trends related to the investigated problem. The scientific novelty consists in substantiating, revealing and proving the effectiveness of the use of social networks as a really effective tool for expanding the role of regional centres of folk creativity in the presentation and popularisation of the intangible cultural heritage of Vinnytsia in the information field, in particular in the conditions of a full-scale invasion. On the basis of a practical study of the materials of the informational and communicative content of the Internet site and Facebook page of the Vinnytsia Regional Centre of Folk Art, the traditional culture of Vinnytsia, which contains a preserved living folk artistic culture with a classical / traditional folklore paradigm. The interaction of the Vinnytsia regional centre of folk creativity with institutions, cultural institutions and the external environment in the matter of preservation and popularisation of the intangible cultural heritage of Vinnytsia region was revealed. Conclusions. Summarising the positive experience on the materials of the information and communication content of the Vinnytsia Regional Centre of Folk Art (website and Facebook page) demonstrated concrete achievements in the presentation, popularisation and preservation of the intangible cultural heritage of Vinnytsia in the conditions of a full-scale invasion. It is argued that the digital representation of the content of the intangible cultural heritage of the regions of Ukraine, in particular Central Ukraine, in social networks is a really effective tool for popularising the intangible cultural heritage in the information field. It is concluded that the traditional culture of Vinnytsia contains a preserved living folk artistic culture with a classical / traditional folklore paradigm. It was noted that the employees of centres of folk creativity need to have the skills to work in the spheres of SEO and SMM, which requires constant improvement of professional qualifications and stimulation of scientific and creative approaches in this direction and is a continuously relevant requirement of the time.

Quantum chemical treatment, electronic energy in various solvents, spectroscopic, molecular docking and dynamic simulation studies of 2-amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide: A core of anticancer drug

The titled molecule 2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide (ANMC) is a core of anticancer drug dasatinib (leukemia). Its derivatives exhibited bioactivity against breast cancer. Experimentally, the titled compound was described using NMR (1H NMR and 13C NMR), FTIR and UV–visible spectroscopy. The results were compared with the theoretical predictions, showing good agreement such as theoretical NH vibrations showed symmetric stretching and asymmetric stretching at 3429 and 3440 cm−1 respectively, λmax values appear at 305 nm for experimental and 307.75 nm for theoretical observations in acetone medium. Hirshfeld surface analysis well described the secondary internal and external interactions obtained like dnorm and di ranges −1.8551 to 1.4590 and 0.0918 to 2.6756 respectively. Comparing UV–visible spectra obtained in various solvents with the calculated TD-DFT results revealed minimal solvent effects. Molecular electrostatic potential (MEP) map and Fukui functions were employed, which indicated reactive sites of the molecule and the obtained order of nucleophilic reactivity was C16 > C2 > C8 > Cl1 > C22 > C21. The bioactivity profile probability of ANMC was theoretically explored by calculation of electrophilicity index and drug-likeness. Molecular docking of the ANMC molecule was performed with ten receptors to obtain the best ligand–protein interaction and the minimum binding energy obtained was −8.0 kcal/mol. Biomolecular stability of ANMC was investigated by Molecular Dynamic Simulation (MDS). And also the analysis of free energies showed strong interactions between the ligand and the protein.

Letters of Historians of the 2nd Half of the 20th Century as a Channel of Scholarly and Business Communications (Based on Letters from Siberia to the Capital)

The article analyzes the letters of specialists in Russian history of the 17th – 19th centuries who sent correspondences to their colleagues in Moscow. The reason these letters are being analyzed is because, due to the distance and communication methods available at the time, correspondence was the main way for Siberian scholars to communicate with the representatives of the important scientific centers, to stay updated on the latest research trends and discoveries. During this era, authors were comparatively unrestricted in their statements, and their internal and external interactions were diverse and significant. Historians from Siberia and Moscow used to correspond on scientific and organizational matters through letters. The topics of discussions included participation in scientific conferences, invitations, opportunities for business trips, publications, cooperation, and reviews. The scholars shared their professional thoughts, ideas, and plans, characterized the sources they found and analyzed, expressed hypotheses and explained preliminary conclusions, reported the outcomes of research, and sometimes talked about the progress in their research projects and the development in their understanding of scientific problems. The letters often described events in the scientific careers of the authors. The content and emotional tone of the correspondence were significantly influenced by the author's character and relationship with the addressee. The letters often contained information of both scientific and personal nature. Sometimes, Siberian scientists requested assistance and help from their colleagues from the capital. The article concludes that letters were a reliable and effective communication channel among the professional community of historians. They were used to convey scientific, business, and occasionally personal information. The recipients of these letters were typically scholars from Moscow who were older in age and higher in status. As a reference group, they played a significant role in determining the specifics of the letters addressed to them.

Tribological properties of a smart Ti3C2Tx-based epoxy coating: Providing an idea to solve the weak tribological properties of traditional smart coatings

Friction damage is always a major threat to the wide application of smart anticorrosion coatings. Here, the tribological properties of a smart Ti3C2Tx-based epoxy coating (MLT@EP) is adjusted by the reasonable collocation of mesoporous silica nanocapsules loading onto Ti3C2Tx-based plane (MLT). MLT@EP not only maintains good smart anticorrosion, but also has remarkable anti-friction and anti-wear properties. Its friction coefficient exhibits a low and steady trend, and the wear rate arrived at 1.14 × 10−5 mm3/N·m, which is decreased by 58.3 ∼ 93.3 % compared to control groups. The excellent tribological properties are mainly attributed to the synergistic effect of MXene-based lubrication film, high resistance to plastic deformation, and strong internal interaction.

Ecclesiastical Content of Byzantine Theatre (Antiphon, Trop)

This article precedes a number of publications devoted to the study of cultural and historical interaction of such different, fundamentally not coinciding, not reducible to each other, but not separate from each other phenomena of social life as art and religion, in particular, the church and theatre. This paper uses the material of Byzantine theatre to examine the validity of the hypothesis of the origin of European drama and theatre from liturgical drama through the church antiphon and literary trope. The tendentious categoricity of the erroneous statement, accepted in science as a heuristic hypothesis, about the influence of residual-rudimentary forms of ancient theatre on the formation of the Christian church rite (antiphonal singing) is considered. It is shown that the Christian antiphon cannot be connected with the ancient theatre because of the centuries-old absence of the chorus in the dramatic action. It is argued that church ritual develops from an “inner form” proceeding from the immanent properties and qualities of the divine liturgy. Since this formulation of the question is carried out for the first time, it represents the relevance and scientific novelty of the present study.The version of the origin of Western European theatre from the literary trope, proceeding from the laws of drama as a literary genre, is established by philological tradition without taking into account the specifics of the dramatic event proper. The conclusion is made that the genesis of theatre does not come from the laws of literary processes, but is connected with them through internal interactions. Historically, Byzantine theatre, an integral and autonomous phenomenon of theatrical culture, ceased to exist in the middle of the 15th century, having failed to realize its dynamic potential of dramatic art. Nevertheless, the relevance of the prospective study confirms the facts of the Byzantine theatre’s indirect influence on the substantive aspects, as well as its direct impact on the formation of a new type of dramatic conflict — “internal”, in the development of Western European and, to a greater extent, Russian theatre.

Investigation of the interactions and influencing factors of the Water-Land-Energy-Carbon system in the Yellow River Basin

The survival and advancement of human society are fundamentally dependent on the availability and sustainable management of water, land, and energy resources. The development and utilisation of various energy sources and a considerable number of natural resources lead to carbon emissions. A complex interplay exists between water, land, energy, and carbon, and their correlation lies at the core of the regional “natural-social-economic” system, which is crucial for human existence and advancement. Despite its importance, research on the water-land-energy‑carbon (WLEC) nexus is limited. In this study, we employed an innovative combination of the comprehensive assessment index, coupled coordination degree, panel vector autoregressive, and random forest models to investigate the spatiotemporal evolution, internal dynamic interactions, and external influencing factors of the WLEC system in the Yellow River Basin (YRB) from 2007 to 2021. The findings revealed that the degree of coupled coordination in the WLEC system of the YRB exhibited an overall steady upward trend. The spatial agglomeration effect was continuously enhanced, and regional disparities increased. Complex interaction mechanisms exist within the water, land, energy, and carbon subsystems in the YRB. Population size, land relief, and sunshine are the prevailing factors influencing the degree of coupling coordination in the WLEC. Addressing the trade-off relationship among the subsystems of the WLEC system is a key aspect of optimising its correlation relationship. This study provides a scientific basis and relevant suggestions for achieving the Double-Carbon Goal, promoting ecological protection and high-quality development in the YRB.

Identifying the mitochondrial ribosomal protein MRPL13 as an oncogenic RBP that promotes proliferation, migration, and anti-apoptotic effects in esophageal cancer cells

PurposeThe correct transcription, processing and function of RNAs are the prerequisites of cell life. RNA-binding proteins (RBPs) are responsible for coordinating the biogenesis of RNA in cells and play a central role in the cellular processes of many diseases. Esophageal cancer (ESCA) is a high incidence of human malignant tumor with a complex molecular mechanism. The purpose of this study was to investigate the important role of RBPs in ESCA. MethodsTCGA-ESCA, IMvigor-210 and GSE53624 repositories were used to obtain esophageal cancer omics data and clinical information. Differential expression analysis, protein-protein interaction and LASSO methods were used to construct the risk signature. Kaplan-Meier and ROC methods were used to analyze the relationship between risk and prognostic. XCell, QUANRISEQ, MCPcounter, EPIC, CIBERSORT, ssGSEA and Estimate algorithm were used to evaluate the abundance of various components of the immune microenvironment. Gene enrichment variation analysis (GSVA) was performed to analyze molecular differences. EdU, transwell and flow cytometry assays were performed to detected proliferation, migration and apoptosis level of ESCA cell lines. ResultsWe visualized the core internal protein-protein interaction of 279 differential expression RBPs, and a 7-RBP risk signature was established. Riskscore was negative correlated with survival time. Meanwhile, high risk groups portend advanced stage, more macrophage and less CD4+ T/master cell infiltration enriched, hyperactive proliferation signal, and different therapeutic response. Finally, we found that RBP MRPL13 is upregulated in esophageal cancer, and its expression is associated with patients’ prognostic. MRPL13 is closely correlated with multiple signaling pathways, as well MRPL13 could promote cell proliferation, migration and anti-apoptosis. ConclusionRNA binding proteins are prognostic marker of esophageal cancer, which could provide clinical diagnosis and treatment strategies. RBP MRPL13 facilitated esophageal cancer progression.

Quantum chemistry − guided design of luminescent Triphenylene − based co-crystals: Unveiling heavy atom for enhanced fluorescence lifetime

This study employed quantum chemical methods to predict and synthesize three luminescent cocrystals. Utilizing Triphenylene as the electron donor and 1,2,4,5-tetracyanobenzene (TCNB), 2,3,5,6-tetrafluoroterephthalonitrile (TFP), and 2,3,5,6-tetrachloroterephthalonitrile (TCP) as acceptors, the structures and internal interactions of these cocrystals were analyzed. The predominant interactions observed were charge transfer, hydrogen bonding, and π-π interactions. Notably, the Triphenylene-TCP cocrystal exhibited a significantly extended fluorescence lifetime compared to the other two. Further investigations, employing time-dependent density functional theory (TD-DFT) on Triphenylene-TCP, suggested that intersystem crossing (ISC) and reverse intersystem crossing (RISC) mechanisms contribute to the prolonged fluorescence lifetime. This study offers valuable insights into the design of supramolecular cocrystals to enhance the performance of organic fluorescent materials.