Pub Date : 2023-11-10DOI: 10.1140/epje/s10189-023-00358-8
Nimisha Krishnan, Niranjan Sarpangala, Maria Gamez, Ajay Gopinathan, Jennifer L. Ross
Intracellular transport of cargoes in the cell is essential for the organization and functioning cells, especially those that are large and elongated. The cytoskeletal networks inside large cells can be highly complex, and this cytoskeletal organization can have impacts on the distance and trajectories of travel. Here, we experimentally created microtubule networks with varying mesh sizes and examined the ability of kinesin-driven quantum dot cargoes to traverse the network. Using the experimental data, we deduced parameters for cargo detachment at intersections and away from intersections, allowing us to create an analytical theory for the run length as a function of mesh size. We also used these parameters to perform simulations of cargoes along paths extracted from the experimental networks. We find excellent agreement between the trends in run length, displacement, and trajectory persistence length comparing the experimental and simulated trajectories.
{"title":"Effects of cytoskeletal network mesh size on cargo transport","authors":"Nimisha Krishnan, Niranjan Sarpangala, Maria Gamez, Ajay Gopinathan, Jennifer L. Ross","doi":"10.1140/epje/s10189-023-00358-8","DOIUrl":"10.1140/epje/s10189-023-00358-8","url":null,"abstract":"<p>Intracellular transport of cargoes in the cell is essential for the organization and functioning cells, especially those that are large and elongated. The cytoskeletal networks inside large cells can be highly complex, and this cytoskeletal organization can have impacts on the distance and trajectories of travel. Here, we experimentally created microtubule networks with varying mesh sizes and examined the ability of kinesin-driven quantum dot cargoes to traverse the network. Using the experimental data, we deduced parameters for cargo detachment at intersections and away from intersections, allowing us to create an analytical theory for the run length as a function of mesh size. We also used these parameters to perform simulations of cargoes along paths extracted from the experimental networks. We find excellent agreement between the trends in run length, displacement, and trajectory persistence length comparing the experimental and simulated trajectories.</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"46 11","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72013044","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}
Pub Date : 2023-11-06DOI: 10.1140/epje/s10189-023-00371-x
Maria Schlungbaum, Benjamin Lindner
Motivated by experimental observations, we investigate a variant of the cocktail party problem: the detection of a weak periodic stimulus in the presence of fluctuations and another periodic stimulus which is stronger than the periodic signal to be detected. Specifically, we study the response of a population of stochastic leaky integrate-and-fire (LIF) neurons to two periodic signals and focus in particular on the question, whether the presence of one of the stimuli can be detected from the population activity. As a detection criterion, we use a simple threshold-crossing of the population activity over a certain time window. We show by means of the receiver operating characteristics (ROC) that the detectability depends only weakly on the time window of observation but rather strongly on the stimulus amplitude. Counterintuitively, the detection of the weak periodic signal can be facilitated by the presence of a strong periodic input current depending on the frequencies of the two signals and on the dynamical regime in which the neurons operate. Beside numerical simulations of the model, we present an analytical approximation for the ROC curve that is based on the weakly nonlinear response theory for a stochastic LIF neuron.
{"title":"Detecting a periodic signal by a population of spiking neurons in the weakly nonlinear response regime","authors":"Maria Schlungbaum, Benjamin Lindner","doi":"10.1140/epje/s10189-023-00371-x","DOIUrl":"10.1140/epje/s10189-023-00371-x","url":null,"abstract":"<p>Motivated by experimental observations, we investigate a variant of the cocktail party problem: the detection of a weak periodic stimulus in the presence of fluctuations and another periodic stimulus which is stronger than the periodic signal to be detected. Specifically, we study the response of a population of stochastic leaky integrate-and-fire (LIF) neurons to two periodic signals and focus in particular on the question, whether the presence of one of the stimuli can be detected from the population activity. As a detection criterion, we use a simple threshold-crossing of the population activity over a certain time window. We show by means of the receiver operating characteristics (ROC) that the detectability depends only weakly on the time window of observation but rather strongly on the stimulus amplitude. Counterintuitively, the detection of the weak periodic signal can be facilitated by the presence of a strong periodic input current depending on the frequencies of the two signals and on the dynamical regime in which the neurons operate. Beside numerical simulations of the model, we present an analytical approximation for the ROC curve that is based on the weakly nonlinear response theory for a stochastic LIF neuron.</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"46 11","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71476818","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}
Pub Date : 2023-11-02DOI: 10.1140/epje/s10189-023-00365-9
YeongKyu Lee, JunBeom Cho, Junseong Kim, Won Bo Lee, YongSeok Jho
Lithium-ion transport is significantly retarded in ionic liquids (ILs). In this work, we performed extensive molecular dynamics simulations to mimic the kinetics of lithium ions in ILs using [N-methyl-N-propylpyrrolidium (pyr(_{13}))][bis(trifluoromethanesulfonyl)imide (Ntf(_{2}))] with added LiNtf(_{2}) salt. And we analyzed their transport, developing a two-state model and comparing it to the machine learning-identified states. The transport of lithium ions involves local shell exchanges of the Ntf(_{2}) in the medium. We calculated train size distributions over various time scales. The train size distribution decays as a power law, representing non-Poissonian bursty shell exchanges. We analyzed the non-Poissonian processes of lithium ions transport as a two-state (soft and hard) model. We analytically calculated the transition probability of the two-state model, which fits well to the lifetime autocorrelation functions of LiNtf(_{2}) shells. To identify two states, we introduced the graph neutral network incorporating local molecular structure. The results reveal that the shell-soft state mainly contributes to the transport of the lithium ions, and their contribution is more important in low temperatures. Hence, it is the key for enhanced lithium ion transport to increase the fraction of the shell-soft state.
{"title":"Anomalous diffusion of lithium-anion clusters in ionic liquids","authors":"YeongKyu Lee, JunBeom Cho, Junseong Kim, Won Bo Lee, YongSeok Jho","doi":"10.1140/epje/s10189-023-00365-9","DOIUrl":"10.1140/epje/s10189-023-00365-9","url":null,"abstract":"<p>Lithium-ion transport is significantly retarded in ionic liquids (ILs). In this work, we performed extensive molecular dynamics simulations to mimic the kinetics of lithium ions in ILs using [<i>N</i>-methyl-<i>N</i>-propylpyrrolidium (pyr<span>(_{13})</span>)][bis(trifluoromethanesulfonyl)imide (Ntf<span>(_{2})</span>)] with added LiNtf<span>(_{2})</span> salt. And we analyzed their transport, developing a two-state model and comparing it to the machine learning-identified states. The transport of lithium ions involves local shell exchanges of the Ntf<span>(_{2})</span> in the medium. We calculated train size distributions over various time scales. The train size distribution decays as a power law, representing non-Poissonian bursty shell exchanges. We analyzed the non-Poissonian processes of lithium ions transport as a two-state (soft and hard) model. We analytically calculated the transition probability of the two-state model, which fits well to the lifetime autocorrelation functions of LiNtf<span>(_{2})</span> shells. To identify two states, we introduced the graph neutral network incorporating local molecular structure. The results reveal that the shell-soft state mainly contributes to the transport of the lithium ions, and their contribution is more important in low temperatures. Hence, it is the key for enhanced lithium ion transport to increase the fraction of the shell-soft state.</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"46 11","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71419489","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}
Pub Date : 2023-11-02DOI: 10.1140/epje/s10189-023-00363-x
Roi Asor, Surendra W. Singaram, Yael Levi-Kalisman, Michael F. Hagan, Uri Raviv
Virus-like particles (VLPs) are noninfectious nanocapsules that can be used for drug delivery or vaccine applications. VLPs can be assembled from virus capsid proteins around a condensing agent, such as RNA, DNA, or a charged polymer. Electrostatic interactions play an important role in the assembly reaction. VLPs assemble from many copies of capsid protein, with a combinatorial number of intermediates. Hence, the mechanism of the reaction is poorly understood. In this paper, we combined solution small-angle X-ray scattering (SAXS), cryo-transmission electron microscopy (TEM), and computational modeling to determine the effect of ionic strength on the assembly of Simian Vacuolating Virus 40 (SV40)-like particles. We mixed poly(styrene sulfonate) with SV40 capsid protein pentamers at different ionic strengths. We then characterized the assembly product by SAXS and cryo-TEM. To analyze the data, we performed Langevin dynamics simulations using a coarse-grained model that revealed incomplete, asymmetric VLP structures consistent with the experimental data. We found that close to physiological ionic strength, (T=1) VLPs coexisted with VP1 pentamers. At lower or higher ionic strengths, incomplete particles coexisted with pentamers and (T=1) particles. Including the simulated structures was essential to explain the SAXS data in a manner that is consistent with the cryo-TEM images.
{"title":"Effect of ionic strength on the assembly of simian vacuolating virus capsid protein around poly(styrene sulfonate)","authors":"Roi Asor, Surendra W. Singaram, Yael Levi-Kalisman, Michael F. Hagan, Uri Raviv","doi":"10.1140/epje/s10189-023-00363-x","DOIUrl":"10.1140/epje/s10189-023-00363-x","url":null,"abstract":"<p>Virus-like particles (VLPs) are noninfectious nanocapsules that can be used for drug delivery or vaccine applications. VLPs can be assembled from virus capsid proteins around a condensing agent, such as RNA, DNA, or a charged polymer. Electrostatic interactions play an important role in the assembly reaction. VLPs assemble from many copies of capsid protein, with a combinatorial number of intermediates. Hence, the mechanism of the reaction is poorly understood. In this paper, we combined solution small-angle X-ray scattering (SAXS), cryo-transmission electron microscopy (TEM), and computational modeling to determine the effect of ionic strength on the assembly of Simian Vacuolating Virus 40 (SV40)-like particles. We mixed poly(styrene sulfonate) with SV40 capsid protein pentamers at different ionic strengths. We then characterized the assembly product by SAXS and cryo-TEM. To analyze the data, we performed Langevin dynamics simulations using a coarse-grained model that revealed incomplete, asymmetric VLP structures consistent with the experimental data. We found that close to physiological ionic strength, <span>(T=1)</span> VLPs coexisted with VP1 pentamers. At lower or higher ionic strengths, incomplete particles coexisted with pentamers and <span>(T=1)</span> particles. Including the simulated structures was essential to explain the SAXS data in a manner that is consistent with the cryo-TEM images.</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"46 11","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71419490","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}
Pub Date : 2023-11-02DOI: 10.1140/epje/s10189-023-00367-7
Vishwas V. Vasisht, Magali Le Goff, Kirsten Martens, Jean-Louis Barrat
In this work using computer simulations of 3D model of dense disordered solids we show, for the first time, the appearance of shear localization in the stationary flow under homogeneous driving conditions. To rationalize our simulation results we develop a continuum model, that couples the dynamics of the local flow to the evolution of a kinetic temperature field related to the local inertial dynamics. Our model predicts that the coupling of the flow field to this additional destabilizing field appears only as a necessary condition for shear localization, a minimum system size is necessary to accommodate the flow instability. Moreover we show that this size criterion resulting from our continuum description is in quantitative agreement with our particle-based simulation results.
{"title":"Permanent shear localization in dense disordered materials due to microscopic inertia","authors":"Vishwas V. Vasisht, Magali Le Goff, Kirsten Martens, Jean-Louis Barrat","doi":"10.1140/epje/s10189-023-00367-7","DOIUrl":"10.1140/epje/s10189-023-00367-7","url":null,"abstract":"<p>In this work using computer simulations of 3D model of dense disordered solids we show, for the first time, the appearance of shear localization in the stationary flow under homogeneous driving conditions. To rationalize our simulation results we develop a continuum model, that couples the dynamics of the local flow to the evolution of a kinetic temperature field related to the local inertial dynamics. Our model predicts that the coupling of the flow field to this additional destabilizing field appears only as a necessary condition for shear localization, a minimum system size is necessary to accommodate the flow instability. Moreover we show that this size criterion resulting from our continuum description is in quantitative agreement with our particle-based simulation results.</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"46 11","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71419502","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}
Pub Date : 2023-10-26DOI: 10.1140/epje/s10189-023-00364-w
Mattia Scandolo, Johannes Pausch, Michael E. Cates
Using an approach based on Doi-Peliti field theory, we study several different Active Ising Models (AIMs), in each of which collective motion (flocking) of self-propelled particles arises from the spontaneous breaking of a discrete symmetry. We test the predictive power of our field theories by deriving the hydrodynamic equations for the different microscopic choices of aligning processes that define our various models. At deterministic level, the resulting equations largely confirm known results, but our approach has the advantage of allowing systematic generalization to include noise terms. Study of the resulting hydrodynamics allows us to confirm that the various AIMs share the same phenomenology of a first-order transition from isotropic to flocked states whenever the self-propulsion speed is nonzero, with an important exception for the case where particles align only pairwise locally. Remarkably, this variant fails entirely to give flocking—an outcome that was foreseen in previous work, but is confirmed here and explained in terms of the scalings of various terms in the hydrodynamic limit. Finally, we discuss our AIMs in the limit of zero self-propulsion where the ordering transition is continuous. In this limit, each model is still out of equilibrium because the dynamical rules continue to break detailed balance, yet it has been argued that an equilibrium universality class (Model C) prevails. We study field-theoretically the connection between our AIMs and Model C, arguing that these particular models (though not AIMs in general) lie outside the Model C class. We link this to the fact that in our AIMs without self-propulsion, detailed balance is not merely still broken, but replaced by a different dynamical symmetry in which the dynamics of the particle density is independent of the spin state.
{"title":"Active Ising Models of flocking: a field-theoretic approach","authors":"Mattia Scandolo, Johannes Pausch, Michael E. Cates","doi":"10.1140/epje/s10189-023-00364-w","DOIUrl":"10.1140/epje/s10189-023-00364-w","url":null,"abstract":"<p>Using an approach based on Doi-Peliti field theory, we study several different Active Ising Models (AIMs), in each of which collective motion (flocking) of self-propelled particles arises from the spontaneous breaking of a discrete symmetry. We test the predictive power of our field theories by deriving the hydrodynamic equations for the different microscopic choices of aligning processes that define our various models. At deterministic level, the resulting equations largely confirm known results, but our approach has the advantage of allowing systematic generalization to include noise terms. Study of the resulting hydrodynamics allows us to confirm that the various AIMs share the same phenomenology of a first-order transition from isotropic to flocked states whenever the self-propulsion speed is nonzero, with an important exception for the case where particles align only pairwise locally. Remarkably, this variant fails entirely to give flocking—an outcome that was foreseen in previous work, but is confirmed here and explained in terms of the scalings of various terms in the hydrodynamic limit. Finally, we discuss our AIMs in the limit of zero self-propulsion where the ordering transition is continuous. In this limit, each model is still out of equilibrium because the dynamical rules continue to break detailed balance, yet it has been argued that an equilibrium universality class (Model C) prevails. We study field-theoretically the connection between our AIMs and Model C, arguing that these particular models (though not AIMs in general) lie outside the Model C class. We link this to the fact that in our AIMs without self-propulsion, detailed balance is not merely still broken, but replaced by a different dynamical symmetry in which the dynamics of the particle density is independent of the spin state.</p><p>.</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"46 10","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10603022/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"50160293","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}
Pub Date : 2023-10-23DOI: 10.1140/epje/s10189-023-00356-w
L. Biferale, M. Buzzicotti, M. Cencini
{"title":"Topical issue on quantitative AI in complex fluids and complex flows: challenges and benchmarks","authors":"L. Biferale, M. Buzzicotti, M. Cencini","doi":"10.1140/epje/s10189-023-00356-w","DOIUrl":"10.1140/epje/s10189-023-00356-w","url":null,"abstract":"","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"46 10","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49688285","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}
Pub Date : 2023-10-20DOI: 10.1140/epje/s10189-023-00351-1
{"title":"Correction to: Collection of Festschrift in honor of Philip (Fyl) Pincus","authors":"","doi":"10.1140/epje/s10189-023-00351-1","DOIUrl":"10.1140/epje/s10189-023-00351-1","url":null,"abstract":"","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"46 10","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49672952","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}
Pub Date : 2023-10-17DOI: 10.1140/epje/s10189-023-00359-7
Tanmoy Sarkar, Oded Farago
We use a lattice model of a ternary mixture containing saturated and unsaturated lipids with cholesterol (Chol), to study the structural properties characterizing the coexistence between the liquid-disordered and liquid-ordered phases. Depending on the affinity of the saturated and unsaturated lipids, the system may exhibit macroscopic (thermodynamic) liquid–liquid phase separation or be divided into small-size liquid-ordered domains surrounded by a liquid-disordered matrix. In both cases, it is found that the nanoscale structure of the liquid-ordered regions is heterogeneous, and that they are partitioned into Chol-rich sub-domains and Chol-free, gel-like, nano-clusters. This emerges as a characteristic feature of the liquid-ordered state, which helps distinguishing between liquid-ordered domains in a two-phase mixture, and similar-looking domains in a one-phase mixture that are rich in saturated lipids and Chol, but are merely thermal density fluctuations. The nano-structure heterogeneity of the liquid-ordered phase can be detected by suitable experimental spectroscopic methods and is observed also in atomistic computer simulations.
{"title":"Characterizing the heterogeneity of membrane liquid-ordered domains","authors":"Tanmoy Sarkar, Oded Farago","doi":"10.1140/epje/s10189-023-00359-7","DOIUrl":"10.1140/epje/s10189-023-00359-7","url":null,"abstract":"<div><p>We use a lattice model of a ternary mixture containing saturated and unsaturated lipids with cholesterol (Chol), to study the structural properties characterizing the coexistence between the liquid-disordered and liquid-ordered phases. Depending on the affinity of the saturated and unsaturated lipids, the system may exhibit macroscopic (thermodynamic) liquid–liquid phase separation or be divided into small-size liquid-ordered domains surrounded by a liquid-disordered matrix. In both cases, it is found that the nanoscale structure of the liquid-ordered regions is heterogeneous, and that they are partitioned into Chol-rich sub-domains and Chol-free, gel-like, nano-clusters. This emerges as a characteristic feature of the liquid-ordered state, which helps distinguishing between liquid-ordered domains in a two-phase mixture, and similar-looking domains in a one-phase mixture that are rich in saturated lipids and Chol, but are merely thermal density fluctuations. The nano-structure heterogeneity of the liquid-ordered phase can be detected by suitable experimental spectroscopic methods and is observed also in atomistic computer simulations.</p></div>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"46 10","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41231492","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}