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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
Pub Date : 2024-09-02 DOI: 10.1140/epjs/s11734-024-01302-3
M. Karuppusamy, V. M. Revathi

This paper examines the challenge of designing (H_infty) filters for continuous systems with varying time delays. The filter design incorporates potential variations in gain due to implementation inaccuracies. The new delay-dependent (H_infty) performance is derived by using a novel Lyapunov–Krasovskii functional (LKF) and by employing novel free weighting matrices. The paper establishes existence of (H_infty) filters in terms of linear matrix inequality (LMI). To demonstrate the proposed method’s effectiveness, apply it to a vertical take-off and landing (VTOL) helicopter system in the numerical section.

本文探讨了为具有不同时间延迟的连续系统设计(H_infty)滤波器所面临的挑战。滤波器设计包含了由于实现不准确而导致的增益的潜在变化。通过使用新颖的 Lyapunov-Krasovskii 函数(LKF)和新颖的自由加权矩阵,得出了新的与延迟相关的 (H_infty) 性能。论文通过线性矩阵不等式(LMI)证明了 (H_infty) 滤波器的存在性。为了证明所提方法的有效性,在数值部分将其应用于垂直起降(VTOL)直升机系统。
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引用次数: 0
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
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

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.

Graphical Abstract

硅胶应用广泛,从化妆品、食品科学到油气回收,无所不包。为了进行适当的设计和应用,全面了解凝胶在不同情况下形成的基本机制非常重要。我们使用 RheoSAXS 研究了胶体二氧化硅凝胶的生长和结构,研究了二氧化硅浓度、NaCl 浓度、温度和剪切速率的影响。此外,还将 SAXS 与强磁场相结合,研究了磁性微颗粒和磁场对凝胶结构发展的影响。结果表明,改变活化剂浓度对凝胶动力学的影响最大,这里的活化剂是氯化钠,其次是二氧化硅浓度和温度。此外,还观察到了微小的结构影响,硅浓度较低和氯化钠浓度较高时产生的凝胶团尺寸较大。施加剪切力会导致二氧化硅的结构和宏观行为发生重大变化,使凝胶无法达到停滞状态,而是形成粘性液体。施加磁场似乎会抑制较大团簇的形成。随着磁性微颗粒浓度的增加,也观察到了同样的效果。
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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
Pub Date : 2024-08-30 DOI: 10.1140/epjs/s11734-024-01291-3
Keerthana Jaganathan, P. R. Geethika, Shanmugam Ramakrishnan, Dhanasekar Sundaram

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.

化学物质引起的肺毒性是指各种药物或化学物质对呼吸系统造成的不良影响,它正日益成为制药和化工行业以及公共卫生领域关注的焦点。传统的毒性预测方法不仅成本高昂,而且需要花费大量的时间和精力。为了应对这些挑战,我们将重点放在计算模型上,以便在药物开发过程的早期识别潜在的肺毒性物质。早期识别毒性不仅能提高药物和化学品的安全性和效率,还有助于防止后期药物撤回。在这项研究中,我们使用 Mordred 和 RDKit 软件比较了各种分子描述符和指纹集。我们系统地采用了特征选择技术,以确定对模型性能有重大影响的关键分子和结构特征。然后,我们应用了多种基于树的集合机器学习算法来构建所提出的模型,并使用十倍交叉验证方法来提高模型预测肺毒性的能力。随后,我们使用测试集和单独的外部验证集评估了拟议模型的性能,以评估其可靠性。在十倍交叉验证过程中,所提出的最优树状组合模型的准确率达到了 85.07%,在测试集上的准确率达到了 86.88%。此外,我们还应用了 SHapley Additive exPlanations(SHAP)方法,以深入了解影响肺毒性预测的关键分子特征。因此,所提出的模型有望成为早期筛选潜在肺毒性化合物的工具,从而提高化学安全性并为预测提供可解释性。
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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
Pub Date : 2024-08-27 DOI: 10.1140/epjs/s11734-024-01283-3
Snehasis Barman, Soovoojeet Jana, Suvankar Majee, Anupam Khatua, Tapan Kumar Kar

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.

2022 年 5 月在英国开始流行的猴痘疫情在每个国家都在持续发生。要控制这种疾病,就必须详细了解其传播机制。根据实际需要,我们利用分数阶微分方程系统建立了一个八室数学模型,以了解该疾病的行为。采用分数阶模型来讨论记忆对减少猴痘感染的影响。下一代矩阵法确定了人类和野兽的基本繁殖数,分别为 (mathscr {R}_0^m) 和 ({mathscr {R}}_0^b) 。根据 ({mathscr {R}}_0^m) 和({mathscr {R}}_0^b) 的数值,研究了平衡点的可行性和性质。研究发现,该系统表现出两个临界分岔;一个是在({mathscr {R}_0^b=1) 的任意值时出现,另一个是在({mathscr {R}_0^b<1) 时出现。在全局敏感性分析的帮助下,我们讨论了参数的有效性。此外,我们还研究了最优控制政策,将疫苗接种和治疗视为两个动态控制变量。我们确定了增量成本效益比率和避免感染比率,以评估所有实用控制策略的成本效益。从分数阶最优控制问题中,我们发现同时使用治疗和疫苗接种两种控制方法比使用任何一种单一控制方法在减少人类感染方面都有更好的效果。全局敏感性分析表明,控制某些系统参数可以调节猴痘感染。此外,我们的成本效益分析表明,对猴痘病毒而言,治疗控制是最具成本效益的方法。
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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
Pub Date : 2024-08-26 DOI: 10.1140/epjs/s11734-024-01304-1
K. S. Nithiya, D. Easwaramoorthy

In dynamical systems, fractals and their features have been proven for a wide range of applications in graphical structures. In particular, self-similar graphs as well as graph polynomials play a vital role. This paper explores the characteristics of the polynomials for the family of well-known self-similar graphs, namely Sierpinski triangle graph of the (n^{text {th}}) iteration, and proposes an algorithm to compute the multivariate independence polynomials of these graphs. We employ iterative patterns from the Sierpinski triangle graph, and we implement our approach to explicitly compute the independent sets to formulate multivariate independence polynomials for iterative values of n. In addition, the inverse of these polynomials have been computed using SAGE software.

在动力学系统中,分形及其特征已被证明可广泛应用于图形结构。其中,自相似图以及图多项式起着至关重要的作用。本文探讨了众所周知的自相似图族,即 Sierpinski 三角形图的(n^{text {th}} )迭代多项式的特征,并提出了一种计算这些图的多元独立性多项式的算法。我们采用了西尔平斯基三角形图的迭代模式,并实现了显式计算独立集的方法,以求出 n 的迭代值的多元独立性多项式。
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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
Pub Date : 2024-08-23 DOI: 10.1140/epjs/s11734-024-01300-5
S. Jose, V. Parthiban

This research delves into the utilization of the matrix measure approach (MMA) for the synchronization of fractional order neural networks (FONNs) incorporating time delays. This study introduces a set of criteria for achieving control input within the slave system (FONNs), employing a novel approach based on fractional order Dini-like derivatives within the matrix measure framework. The proposed criteria formulated in fractional order, encompass diverse conditions that align with several sufficient conditions inherent in MMA. Synchronization between the slave and master system is established, ensuring the asymptotic stability between them. Finally, by presenting the numerical result, the efficacy of FONNs synchronization is obtained.

本研究深入探讨了如何利用矩阵度量方法(MMA)实现包含时间延迟的分数阶神经网络(FONNs)的同步。本研究在矩阵度量框架内采用了一种基于分数阶似导数的新方法,引入了一套在从属系统(FONNs)内实现控制输入的标准。所提出的分数阶标准包含多种条件,与 MMA 固有的几个充分条件相一致。建立了从系统和主系统之间的同步,确保了它们之间的渐进稳定性。最后,通过给出数值结果,得出了 FONNs 同步的有效性。
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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
Pub Date : 2024-08-22 DOI: 10.1140/epjs/s11734-024-01296-y
Samapika Sahu, Prasanjit Dutta, Ananya Debnath

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.

在从 350 K 到 250 K 的快速过冷过程中,我们使用了总共 165.0198 秒的全原子分子动力学模拟,研究了二甲基亚砜(DMSO)对模型 1,2-二肉豆蔻酰-sn-甘油-3-磷酸胆碱脂膜的影响。我们的研究结果表明,在过冷温度下,超过临界浓度的二甲基亚砜的加入会导致膜的凝胶相发生显著变化,从单位脂质面积、阶次参数和d-间距可以明显看出,凝胶相转变为流体相。值得注意的是,当温度从 300 K 冷却到相同临界浓度的 DMSO 存在时,在双层膜中观察到了异常收缩。这一过程导致每个脂质分子占据的面积扩大,在脂质尾部周围形成自由空间。随后,与 DMSO 临界浓度以上的较高温度相比,疏水核心处的 DMSO 和水的数量在过冷温度下变得能量有利。界面和疏水核心处较多的 DMSO 和水增加了脂质的无序性和流动性,使凝胶相逐渐向流体相转变。因此,我们的研究结果提供了在过冷温度下 DMSO 诱导膜流动性的分子机制,这与未来的细胞银行有关。
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引用次数: 0
Complete de-wetting of lipid membranes on silicon carbide 碳化硅上的脂质膜完全脱湿
Pub Date : 2024-08-21 DOI: 10.1140/epjs/s11734-024-01259-3
Ruslan Ryskulov, Esteban Pedrueza-Villalmanzo, Yagiz Alp Tatli, Irep Gözen, Aldo Jesorka

We report temperature-induced complete de-wetting of phospholipid membranes from thermally evaporated silicon carbide (SiC) substrates, which occurs in the form of fractal patterns. Excess membrane material released as a result of de-wetting, transforms into fluid-filled membrane pockets, or leads to vesicle formation. The membrane pockets are composed of a double lipid membrane. These double bilayer superstructures, i.e. isolated membrane-enclosed fluid volumes, bring the internal contents into direct contact with the surface. This membrane morphology can be viewed as an alternative prebiotic assembly mechanism with possible implications for protocell development, where physicochemical surface interactions with internal primitive cell contents are greatly facilitated.

我们报告了热蒸发碳化硅(SiC)基底磷脂膜在温度诱导下的完全脱湿现象,这种现象以分形图案的形式出现。脱湿过程中释放出的过量膜物质会转化为充满液体的膜袋,或导致囊泡的形成。膜袋由双层脂膜组成。这些双层上部结构,即孤立的膜封闭液体体积,使内部内容物与表面直接接触。这种膜形态可被视为另一种前生物组装机制,可能对原生细胞的发育产生影响,因为在这种机制下,表面与内部原始细胞内容物的物理化学相互作用变得非常容易。
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引用次数: 0
Bragg resonance due to an undulated elastic bottom in the presence of current 电流存在时波状弹性底部引起的布拉格共振
Pub Date : 2024-08-21 DOI: 10.1140/epjs/s11734-024-01299-9
Rajesh Ranjan Dora, Sanjay Kumar Mohanty

This paper explores Bragg scattering in a homogeneous fluid, focusing on the interaction between oblique waves and an undulated elastic bottom in the presence of a uniform current. It uses linear wave theory to analyze the effects of a uniform current and flexible floor on wave interaction, where the fluid propagates in two modes: free-surface and flexural mode. The study uses analytical derivation and numerical exploration of Bragg resonance conditions for various physical parameters, including perturbation and Fourier transform methods. The study computes Bragg transmission and reflection for various physical parameters and verifies the energy relations, assuring the accuracy of the results. The findings reveal that when waves propagate due to the free-surface mode, reflection coefficients decrease with increasing current speed. When waves propagate through the flexural mode, the reflection coefficients decrease as the flexural rigidity increases, while the transmission coefficients increase as the current speed increases.

本文探讨了均质流体中的布拉格散射,重点研究了在匀速水流作用下斜波与起伏弹性底面之间的相互作用。它利用线性波理论分析了匀速水流和弹性底板对波相互作用的影响,其中流体以两种模式传播:自由表面模式和挠曲模式。研究采用分析推导和数值探索各种物理参数的布拉格共振条件,包括扰动和傅立叶变换方法。研究计算了各种物理参数的布拉格透射和反射,并验证了能量关系,确保了结果的准确性。研究结果表明,当波以自由表面模式传播时,反射系数随流速的增加而降低。当波浪通过挠曲模式传播时,反射系数随着挠曲刚度的增加而减小,而透射系数则随着流速的增加而增大。
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引用次数: 0
IMA11—interfacial fluid dynamics IMA11-界面流体动力学
Pub Date : 2024-08-20 DOI: 10.1140/epjs/s11734-024-01282-4
Sakir Amiroudine, Thomas Bickel

This special issue presents recent advances on interfacial fluid dynamics, in link with the 11th conference of the International Marangoni Association organized in Bordeaux, France, on June 2023.

本特刊介绍界面流体力学的最新进展,与 2023 年 6 月在法国波尔多举行的第 11 届国际马兰戈尼协会会议相关联。
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引用次数: 0
期刊
The European Physical Journal Special Topics
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