The European Physical Journal Special Topics最新文献_第3页

Variation theory of interconnected chemical reactions 相互关联化学反应的变异理论

The European Physical Journal Special Topics Pub Date : 2024-09-05 DOI: 10.1140/epjs/s11734-024-01313-0

Maxim V. Dudorov

引用次数: 0

Complex dynamical analysis of a discrete memristive neural network and its DSP implementation 离散记忆神经网络的复杂动力学分析及其 DSP 实现

The European Physical Journal Special Topics Pub Date : 2024-09-05 DOI: 10.1140/epjs/s11734-024-01320-1

Zhitang Han, Yinghong Cao, Bo Sun, Jun Mou

引用次数: 0

How random immigration impacts order–chaos transformations and extinction in population dynamics 随机移民如何影响种群动态中的有序-混乱转换和灭绝

The European Physical Journal Special Topics Pub Date : 2024-09-03 DOI: 10.1140/epjs/s11734-024-01311-2

Lev Ryashko, Ivan Tsvetkov

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An enhanced $$H_infty$$ filtering delay dependent criteria for continuous systems with varying time-delays 针对具有变化时延的连续系统的增强型 $$H_infty$$ 滤波时延相关准则

The European Physical Journal Special Topics Pub Date : 2024-09-02 DOI: 10.1140/epjs/s11734-024-01302-3

M. Karuppusamy, V. M. Revathi

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Growth kinetics and structure of a colloidal silica-based network: in situ RheoSAXS investigations 胶体二氧化硅网络的生长动力学和结构：原位 RheoSAXS 研究

The European Physical Journal Special Topics Pub Date : 2024-08-30 DOI: 10.1140/epjs/s11734-024-01250-y

Konstanse Kvalem Seljelid, Osvaldo Trigueiro Neto, Andrew Ndubuisi Akanno, Bruno Telli Ceccato, Rini Padinjakkara Ravindranathan, Namrah Azmi, Leide P. Cavalcanti, Ingebret Fjelde, Kenneth Dahl Knudsen, Jon Otto Fossum

{"title":"Growth kinetics and structure of a colloidal silica-based network: in situ RheoSAXS investigations","authors":"Konstanse Kvalem Seljelid, Osvaldo Trigueiro Neto, Andrew Ndubuisi Akanno, Bruno Telli Ceccato, Rini Padinjakkara Ravindranathan, Namrah Azmi, Leide P. Cavalcanti, Ingebret Fjelde, Kenneth Dahl Knudsen, Jon Otto Fossum","doi":"10.1140/epjs/s11734-024-01250-y","DOIUrl":"https://doi.org/10.1140/epjs/s11734-024-01250-y","url":null,"abstract":"Silica gels have a multitude of applications ranging from cosmetics and food science to oil and gas recovery. For proper design and application, it is important to have a thorough understanding of the underlying mechanisms of gel formation under different circumstances. The growth and structure of colloidal silica gels has been investigated using RheoSAXS to study the effect of silica concentration, NaCl concentration, temperature and shear rate. Additionally, SAXS in combination with a strong magnetic field has been applied to investigate the effect of magnetic microparticles and magnetic field on the development of the gel structure. Results indicate that the strongest effect on the gel kinetics are achieved by altering the activator concentration, here in the form of NaCl, followed by silica concentration and temperature. Small structural effects were also observed, with larger cluster sizes being produced at lower silica concentration and at higher NaCl concentration. Applying shear caused major changes both in structure as well as the macroscopic behavior of the silica, preventing the gel from reaching an arrested state, instead forming a viscous liquid. Applying a magnetic field appears to suppress the formation of larger clusters. The same effect is observed for increasing magnetic microparticle concentrations.<h3 data-test=\"abstract-sub-heading\">Graphical Abstract</h3>\u0000","PeriodicalId":501403,"journal":{"name":"The European Physical Journal Special Topics","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142219044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Explainable AI and tree-based ensemble models: a comparative study in predicting chemical pulmonary toxicity 可解释人工智能和基于树的集合模型：预测化学物质肺毒性的比较研究

The European Physical Journal Special Topics Pub Date : 2024-08-30 DOI: 10.1140/epjs/s11734-024-01291-3

Keerthana Jaganathan, P. R. Geethika, Shanmugam Ramakrishnan, Dhanasekar Sundaram

{"title":"Explainable AI and tree-based ensemble models: a comparative study in predicting chemical pulmonary toxicity","authors":"Keerthana Jaganathan, P. R. Geethika, Shanmugam Ramakrishnan, Dhanasekar Sundaram","doi":"10.1140/epjs/s11734-024-01291-3","DOIUrl":"https://doi.org/10.1140/epjs/s11734-024-01291-3","url":null,"abstract":"Chemical-induced pulmonary toxicity, characterized by adverse respiratory effects from various drugs or chemicals, is increasingly becoming a point of concern for the pharmaceutical and chemical sectors, as well as public health. Traditional toxicity prediction methods are not only expensive but also demand significant time and effort. In response to these challenges, we focus on computational models to identify potential pulmonary toxicants early in the drug development process. Early identification of toxicity not only enhances the safety and efficiency of drugs and chemicals but also helps prevent late-stage drug withdrawals. In this study, we compared various sets of molecular descriptors and fingerprints using Mordred and RDKit software. We systematically employed feature selection techniques to identify the key molecular and structural features that significantly affect the model’s performance. We then applied a variety of tree-based ensemble machine-learning algorithms to build the proposed model, using a tenfold cross-validation methodology to enhance the model’s ability to predict pulmonary toxicity. We subsequently evaluated the proposed model’s performance using both a test set and a separate external validation set to assess reliability. The proposed optimal tree-ensemble model achieved an accuracy of 85.07% during tenfold cross-validation and 86.88% on the test set. Additionally, we applied the SHapley Additive exPlanations (SHAP) approach to gain deeper insights into the crucial molecular features influencing pulmonary toxicity predictions. Thus, the proposed model emerged as a promising tool for the early screening of potential pulmonary toxic compounds, enhancing chemical safety and providing interpretability for the predictions.","PeriodicalId":501403,"journal":{"name":"The European Physical Journal Special Topics","volume":"7 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142219045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Complex dynamics of a fractional-order monkeypox transmission system with saturated recovery function 具有饱和恢复功能的分数阶猴痘传播系统的复杂动力学

The European Physical Journal Special Topics Pub Date : 2024-08-27 DOI: 10.1140/epjs/s11734-024-01283-3

Snehasis Barman, Soovoojeet Jana, Suvankar Majee, Anupam Khatua, Tapan Kumar Kar

{"title":"Complex dynamics of a fractional-order monkeypox transmission system with saturated recovery function","authors":"Snehasis Barman, Soovoojeet Jana, Suvankar Majee, Anupam Khatua, Tapan Kumar Kar","doi":"10.1140/epjs/s11734-024-01283-3","DOIUrl":"https://doi.org/10.1140/epjs/s11734-024-01283-3","url":null,"abstract":"Every country is continuously experiencing the monkeypox disease that started in the United Kingdom in May 2022. A detailed understanding of the transmission mechanism is required for controlling the disease. Based on real needs, we have developed an eight-compartmental mathematical model using a system of fractional-order differential equations to understand the behavior of the disease. The fractional-order model is adopted to discuss the effect of memory in reducing monkeypox infection. The next-generation matrix method determines the basic reproduction number for human beings and beasts, which are (mathscr {R}_0^m) and ({mathscr {R}}_0^b), respectively. Depending on the numerical values of ({mathscr {R}}_0^m) and ({mathscr {R}}_0^b), the feasibility and the nature of the equilibrium points are studied. It is found that the system exhibits two transcritical bifurcations; one occurs at ({mathscr {R}}_0^b=1) for any value of ({mathscr {R}}_0^m), and the other occurs at ({mathscr {R}}_0^m=1) when ({mathscr {R}}_0^b<1). The effectiveness of the parameters has been discussed with the help of global sensitivity analysis. Further, we have investigated the optimal control policies, considering vaccination and treatment as two dynamic control variables. The incremental cost-effectiveness ratio and the infected averted ratio are determined to assess the cost-effectiveness of all practical control strategies. From the fractional-order optimal control problem, we have experienced that simultaneous use of both treatment and vaccination controls gives better results than using any single control in reducing infected humans. The global sensitivity analysis shows that controlling certain system parameters can regulate monkeypox infection. Further, our cost-effectiveness analysis shows that treatment control is the most cost-effective method for the monkeypox virus.","PeriodicalId":501403,"journal":{"name":"The European Physical Journal Special Topics","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142219050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enumeration of multivariate independence polynomial for iterations of Sierpinski triangle graph 迭代西尔平斯基三角形图的多元独立性多项式枚举

The European Physical Journal Special Topics Pub Date : 2024-08-26 DOI: 10.1140/epjs/s11734-024-01304-1

K. S. Nithiya, D. Easwaramoorthy

引用次数: 0

Synchronization of fractional order time delayed neural networks using matrix measure approach 利用矩阵测量方法实现分数阶时延神经网络的同步化

The European Physical Journal Special Topics Pub Date : 2024-08-23 DOI: 10.1140/epjs/s11734-024-01300-5

S. Jose, V. Parthiban

引用次数: 0

Influence of dimethyl sulfoxide on membrane fluidity under rapid supercooling 二甲基亚砜对快速过冷条件下膜流动性的影响

The European Physical Journal Special Topics Pub Date : 2024-08-22 DOI: 10.1140/epjs/s11734-024-01296-y

Samapika Sahu, Prasanjit Dutta, Ananya Debnath

{"title":"Influence of dimethyl sulfoxide on membrane fluidity under rapid supercooling","authors":"Samapika Sahu, Prasanjit Dutta, Ananya Debnath","doi":"10.1140/epjs/s11734-024-01296-y","DOIUrl":"https://doi.org/10.1140/epjs/s11734-024-01296-y","url":null,"abstract":"The effect of dimethyl sulfoxide (DMSO) on a model 1,2-dimyristoyl-sn-glycero-3-phosphocholine lipid membrane is investigated during a rapid supercooling from 350 to 250 K using a total of (165.0198~upmu)s all-atom molecular dynamics simulations. Our findings reveal that the addition of DMSO above a critical concentration induces significant alterations in the gel phase of the membrane at supercooled temperatures, shifting the gel phase to a fluid phase evident from area per lipid, order parameter, and d-spacing. Notably, an anomalous contraction is observed in bilayers in the presence of DMSO with the same critical concentrations as the temperature is cooled from 300 K. As the concentration of DMSO rises at supercooled temperatures, the interface becomes increasingly populated with DMSO molecules, approaching a two-dimensional percolation threshold. This process leads to an expansion in the area occupied by each lipid molecule, creating free space around the lipid tails. Subsequently, the population of DMSO and water at the hydrophobic core becomes energetically favorable at a supercooled temperature compared to the higher temperature above the critical concentration of DMSO. The higher population of DMSO and water at the interface and at the hydrophobic core increases the disorder and fluidity of the lipids and gradually changes the gel phase toward the fluid phase. Thus, our results provide the molecular mechanism of DMSO-induced fluidity of the membrane at supercooled temperature relevant for cell banking in the future.","PeriodicalId":501403,"journal":{"name":"The European Physical Journal Special Topics","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142219051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0