The European Physical Journal E最新文献_第3页

On degree-dependent topological study of line graph of some antiviral COVID-19 drugs 一些抗病毒COVID-19药物线形图的度相关拓扑研究

IF 2.2 4区物理与天体物理

The European Physical Journal E Pub Date : 2025-07-14 DOI: 10.1140/epje/s10189-025-00503-5

Shibsankar Das, Arti Kumari, Jayjit Barman

{"title":"On degree-dependent topological study of line graph of some antiviral COVID-19 drugs","authors":"Shibsankar Das, Arti Kumari, Jayjit Barman","doi":"10.1140/epje/s10189-025-00503-5","DOIUrl":"10.1140/epje/s10189-025-00503-5","url":null,"abstract":"<p> A topological index is a numerical value that correlates with a chemical structure. A degree-based topological index of drug molecular structures is beneficial for researchers investigating in the fields of medicals and pharmaceuticals because it is significant for testing the physicochemical properties of drugs. Graph theory has proven to be quite useful in this field of study. Graph analysis reveals insights into chemical structures. In physical chemistry, a line graph has multiple applications. This article focuses on the topological characterization of a line graph for antiviral COVID-19 drugs, namely Nirmatrelvir, Molnupiravir, Thalidomide, Theaflavin, Remdesivir, Ritonavir, Chloroquine, Hydroxychloroquine, Arbidol and Lopinavir. The computation of degree-based topological indices is carried out using their M-polynomials. Numerical values of topological indices of line graphs and geometric representations of the polynomials are shown graphically. A comparative study between the obtained values of the line graph and the values of an actual graph is presented through numerical and graphical representation. Furthermore, we conduct a QSPR analysis between the degree-based topological indices of the line graph of certain COVID-19 drugs and their physicochemical properties using curvilinear regression models. A comparison is made between the squared correlation coefficients derived from our curvilinear regression models and those obtained from earlier research. These findings may aid the applicability of newly developed drugs of similar kind, in predicting their physicochemical properties and in improving the associated QSPR studies and hence pave a way to improve treatments against the COVID-19 disease.</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"48 6-7","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144635868","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Label-free metabolic imaging and energy costs in Chlamydomonas 衣藻的无标签代谢成像和能量消耗。

IF 2.2 4区物理与天体物理

The European Physical Journal E Pub Date : 2025-07-11 DOI: 10.1140/epje/s10189-025-00499-y

Martine Boccara, Katia Wostrikoff, Benjamin Bailleuil, Claude Boccara

{"title":"Label-free metabolic imaging and energy costs in Chlamydomonas","authors":"Martine Boccara, Katia Wostrikoff, Benjamin Bailleuil, Claude Boccara","doi":"10.1140/epje/s10189-025-00499-y","DOIUrl":"10.1140/epje/s10189-025-00499-y","url":null,"abstract":"<div><p>We developed a label-free optical microscopy method to study movements of different frequencies and amplitudes within a cell. We use optical transmission tomography (OTT) that operates in transmission, and we record the changes of signal values of all the pixels of movies taken for a few seconds (dynamic signal). This signal is a metabolic signal in algae as it decreased in the presence of photosystem II inhibitors or when samples were illuminated at wavelengths where the photoreceptors are poorly operative. We used as model organism Chlamydomonas for which mutants are available. We used a mutant deleted of the chloroplastic gene encoding the large subunit of the Rubisco, <i>ΔrbcL</i>. This mutant is unable to fix atmospheric CO<sub>2</sub> and is devoid of pyrenoid. We compared the dynamic signal between wild-type strain and <i>ΔrbcL</i> mutant of Chlamydomonas grown in dark condition and found it to be 5 to 10 times higher. This mutant overproduced starch, and we tempted to associate the metabolic signal to the cost in ATP<sub>eq</sub> consumption for building starch. The method is easy to implement and could be very valuable for studies of phytoplankton in situ or virus-infected cells.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div><div><p>This graphical abstract illustrates the Gouy phase shift showing destructive and constructive interferences. With thisphase shift we generate two types of tomographic images: the static image informs for intracellular structures and thedynamic image provides information on the metabolic activity of the cell (all images are the bacteria Escherichia coli)</p></div></div></figure></div></div>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"48 6-7","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12254062/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144606985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Stochastic dynamics in determining fertilization outcomes in plants: effect of gamete number and pollen tube travel path length 决定植物受精结果的随机动力学：配子数量和花粉管传播路径长度的影响。

IF 2.2 4区物理与天体物理

The European Physical Journal E Pub Date : 2025-07-08 DOI: 10.1140/epje/s10189-025-00501-7

Aneesa Manzoor, Mahima, Pushkin Kachroo, R. Uma Shaanker, Ajeet K. Sharma

{"title":"Stochastic dynamics in determining fertilization outcomes in plants: effect of gamete number and pollen tube travel path length","authors":"Aneesa Manzoor,  Mahima, Pushkin Kachroo, R. Uma Shaanker, Ajeet K. Sharma","doi":"10.1140/epje/s10189-025-00501-7","DOIUrl":"10.1140/epje/s10189-025-00501-7","url":null,"abstract":"<div><p>Plants may enhance seed fitness by favoring fertilization by pollen grains with superior genetic qualities. Pistil traits, such as style length and stigmatic area, are thought to influence this selection, but the mechanisms remain unclear. The impact of stochastic factors on pollen germination time variations is also not fully understood. To investigate this, we simulated a biophysical model using the Monte Carlo method to study how gamete number and pollen tube travel path length affect pollen selection. Our results show that longer travel paths (style lengths) and greater pollen loads on the stigma increase the probability of genetically superior pollen fertilizing ovules. It is because longer styles and more pollen load suppress stochastic effects, promoting seed fitness by favoring superior pollen. We also identify a tradeoff between the benefits of increased path length or pollen load and the resource costs incurred.</p><h3>Graphical abstract</h3><p>Schematic illustration of the fertilization process in flowering plants, showing pollen deposition on the stigma and the subsequent growth of pollen tubes through the style towards the ovary. The model highlights how increased style length and pollen load enhance the selection of genetically fitter pollen grains by minimizing the impact of stochastic variations in germination and growth dynamics.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"48 6-7","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144590132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A python-based novel vertex–edge-weighted modeling framework for enhanced QSPR analysis of cardiovascular and diabetes drug molecules 一种基于python的顶点边缘加权模型框架，用于心血管和糖尿病药物分子的增强QSPR分析。

IF 2.2 4区物理与天体物理

The European Physical Journal E Pub Date : 2025-07-08 DOI: 10.1140/epje/s10189-025-00500-8

Sezer Sorgun, Asad Ullah

{"title":"A python-based novel vertex–edge-weighted modeling framework for enhanced QSPR analysis of cardiovascular and diabetes drug molecules","authors":"Sezer Sorgun, Asad Ullah","doi":"10.1140/epje/s10189-025-00500-8","DOIUrl":"10.1140/epje/s10189-025-00500-8","url":null,"abstract":"<p>This study advances the quantitative structure–property relationship analysis by leveraging novel vertex–edge-weighted (VEW) molecular graphs to investigate 19 drug molecules commonly used to treat cardiovascular diseases and diabetes. The graphs are constructed by assigning weights to vertices and edges based on atomic properties, enabling a detailed and chemically meaningful representation of molecular structures. Python-based programs were developed to compute degree-based topological indices, which were then analyzed through robust linear regression models to uncover correlations with key physicochemical properties. The results reveal strong and consistent relationships between the computed indices and the physicochemical properties, validating the predictive capability of the proposed approach. Notably, the VEW model demonstrates significant improvements in accuracy and correlation strength over traditional unweighted molecular graph models, underscoring its enhanced ability to capture intricate molecular interactions. This work provides novel insights into the utility of degree-based topological indices in drug design, particularly for cardiovascular and diabetic treatments. By bridging theoretical modeling with practical pharmaceutical applications, it lays a solid foundation for optimizing molecular properties, improving drug efficacy, and accelerating the drug development pipeline. These findings reaffirm the growing significance of computational strategies in advancing precision medicine and pharmaceutical innovation.</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"48 6-7","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144582785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Droplet-on-demand using a positive pressure pulse 使用正压脉冲按需滴注。

IF 2.2 4区物理与天体物理

The European Physical Journal E Pub Date : 2025-07-02 DOI: 10.1140/epje/s10189-025-00493-4

Mathieu Oléron, Grégoire Clement, Samuel Hidalgo-Caballero, Masoodah Gunny, Finn Box, Matthieu Labousse, Joshua D. McGraw

{"title":"Droplet-on-demand using a positive pressure pulse","authors":"Mathieu Oléron, Grégoire Clement, Samuel Hidalgo-Caballero, Masoodah Gunny, Finn Box, Matthieu Labousse, Joshua D. McGraw","doi":"10.1140/epje/s10189-025-00493-4","DOIUrl":"10.1140/epje/s10189-025-00493-4","url":null,"abstract":"<p>Droplet generation under steady conditions is a common microfluidic method for producing biphasic systems. However, this process works only over a limited range of imposed pressure: beyond a critical value, a stable liquid jet can instead form. Furthermore, for a given geometry, the pressure conditions set both the generation rate of droplets and their volume. Here, we report on-demand droplet production using a positive pressure pulse to the dispersed-phase inlet of a flow-focusing geometry. This strategy enables confined droplet generation within and beyond the pressure range observed under steady conditions, and decouples volume and production rate. In particular, elongated plugs not possible under steady conditions may be formed when the maximal pressure during the pulse reaches the jet regime. The measured volume of droplets-on-demand as well as the onset of droplet generation are both captured with a simple model that considers hydraulic resistances. This work provides a strategy and design rules for processes that require individual droplets or elongated plugs in a simple microfluidic chip design.</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"48 6-7","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12222393/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Osmotic pressure induces unexpected relaxation of contractile 3D microtissue 渗透压诱导收缩的三维显微组织意想不到的松弛。

IF 2.2 4区物理与天体物理

The European Physical Journal E Pub Date : 2025-06-24 DOI: 10.1140/epje/s10189-025-00497-0

Giovanni Cappello, Fanny Wodrascka, Genesis Marquez-Vivas, Amr Eid Radwan, Parvathy Anoop, Pietro Mascheroni, Jonathan Fouchard, Ben Fabry, Davide Ambrosi, Pierre Recho, Simon de Beco, Martial Balland, Thomas Boudou

{"title":"Osmotic pressure induces unexpected relaxation of contractile 3D microtissue","authors":"Giovanni Cappello, Fanny Wodrascka, Genesis Marquez-Vivas, Amr Eid Radwan, Parvathy Anoop, Pietro Mascheroni, Jonathan Fouchard, Ben Fabry, Davide Ambrosi, Pierre Recho, Simon de Beco, Martial Balland, Thomas Boudou","doi":"10.1140/epje/s10189-025-00497-0","DOIUrl":"10.1140/epje/s10189-025-00497-0","url":null,"abstract":"<div><p>Cell contraction and proliferation, matrix secretion and external mechanical forces induce compression during embryogenesis and tumor growth, which in turn regulate cell proliferation, metabolism or differentiation. How compression affects tissue contractility, a hallmark of tissue function, is however unknown. Here we apply osmotic compression to microtissues of either mouse colon adenocarcinoma CT26 cells, mouse NIH 3T3 fibroblasts, or human primary colon cancer-associated fibroblasts. Microtissues are anchored to flexible pillars that serve as force transducers. We observe that low-amplitude osmotic compression induces a rapid relaxation of tissue contractility, primed by the deformation of the extracellular matrix. Furthermore, we show that this compression-induced relaxation is independent of the cell type, proportional to the initial tissue contractility, and depends on RhoA-mediated myosin activity. Together, our results demonstrate that compressive stress can relax active tissue force, and points to a potential role of this feedback mechanism during morphogenetic events such as onco- or embryogenesis.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div><div><p>Schematic of osmotic pressure-induced relaxation of contractile microtissues</p></div></div></figure></div></div>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"48 6-7","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12187822/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Size distribution of decaying foam bubbles 衰变泡沫气泡的尺寸分布。

IF 2.2 4区物理与天体物理

The European Physical Journal E Pub Date : 2025-06-21 DOI: 10.1140/epje/s10189-025-00498-z

Ildoo Kim

引用次数: 0

Roughness exponents of the liquid/vapor/solid contact line on surfaces with dilute random Gaussian defects: numerical study 稀随机高斯缺陷表面液/气/固接触线的粗糙度指数：数值研究。

IF 2.2 4区物理与天体物理

The European Physical Journal E Pub Date : 2025-06-16 DOI: 10.1140/epje/s10189-025-00486-3

Stanimir Iliev, Nina Pesheva, Pavel Iliev

{"title":"Roughness exponents of the liquid/vapor/solid contact line on surfaces with dilute random Gaussian defects: numerical study","authors":"Stanimir Iliev, Nina Pesheva, Pavel Iliev","doi":"10.1140/epje/s10189-025-00486-3","DOIUrl":"10.1140/epje/s10189-025-00486-3","url":null,"abstract":"<p>We study here the roughness exponents of the averaged contact line width of a liquid in contact with flat, weakly heterogeneous substrates containing dilute, randomly distributed Gaussian-type defects. For this purpose, we employ the full capillary model. The obtained results for the magnitude of the averaged root-mean-square width of the contact line show that there is only one interval in which the width scales with length as a power function. The numerical studies and analysis indicate that this interval should be regarded as a length scale smaller than the jog length. The roughness exponent found is not a universal constant independent of the apparent contact angle formed by the liquid on the solid surface. It closely approaches the theoretically predicted value of 1/2 [M. O. Robbins, and J. F. Joanny, Europhys. Lett. 3, 729 (1987)] only within the contact angle ranges of <span>(10^{circ })</span> to <span>(30^{circ })</span> and <span>(150^{circ })</span> to <span>(170^{circ })</span>. Furthermore, it can be considered that there is still a significant range of contact angles, from <span>(55^{circ })</span> up to <span>(125^{circ })</span>, in which the roughness exponent remains practically constant, however, having a value of 0.8.</p><p>Schematic image of the model system used to study the roughness exponent of the contact line: a 3D free liquid surface, Úttached to a vertical solid plate with randomly distributed Gaussian defects</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"48 6-7","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144300929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In vivo assessment of kinematic relationships for epithelial morphogenesis 上皮形态发生运动学关系的体内评估。

IF 2.2 4区物理与天体物理

The European Physical Journal E Pub Date : 2025-06-15 DOI: 10.1140/epje/s10189-025-00495-2

Toshinori Namba, Kaoru Sugimura, Shuji Ishihara

{"title":"In vivo assessment of kinematic relationships for epithelial morphogenesis","authors":"Toshinori Namba, Kaoru Sugimura, Shuji Ishihara","doi":"10.1140/epje/s10189-025-00495-2","DOIUrl":"10.1140/epje/s10189-025-00495-2","url":null,"abstract":"<p>Tissue growth and deformation result from the combined effects of various cellular events, including cell shape change, cell rearrangement, cell division, and cell death. Resolving and integrating these cellular events is essential for understanding the coordination of tissue-scale growth and deformation by individual cellular behaviors that are critical for morphogenesis, wound healing, and other collective cellular phenomena. For epithelial tissues composed of tightly connected cells, the texture tensor method provides a unified framework for quantifying tissue and cell strains by tracking individual cells in live imaging data. The corresponding kinematic relationships have been introduced in a hydrodynamic model that we previously reported. In this study, we quantitatively evaluated the kinematic equations proposed in the hydrodynamic model using experimental data from a growing <i>Drosophila</i> wing. To accomplish this, we introduced modified definitions of the texture tensor and confirmed that one of these modifications more accurately represents approximated cellular shapes without relying on <i>ad hoc</i> scaling factors. By utilizing the modified tensor, we demonstrated the compatibility of the strain rate tensors and the accuracy of both the kinematic and cell number density equations. These results cross-validate the modified texture analysis and the hydrodynamic model. Furthermore, the precision of the kinematic relationships achieved in this study provides a robust foundation for more advanced integration of modeling and experiment.</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"48 6-7","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12167722/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144300928","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Smart navigation of microswimmers in Poiseuille flow via reinforcement learning 基于强化学习的泊泽维尔流微游泳者智能导航。

IF 2.2 4区物理与天体物理

The European Physical Journal E Pub Date : 2025-06-12 DOI: 10.1140/epje/s10189-025-00496-1

Priyam Chakraborty, Rahul Roy, Shubhadeep Mandal

引用次数: 0