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Energy-based modelling of single actin filament polymerization using bond graphs.
IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-01-30 DOI: 10.1098/rsif.2024.0404
Peter J Gawthrop, Michael Pan, Vijay Rajagopal

Bond graphs provide an energy-based methodology for modelling complex systems hierarchically; at the moment, the method allows biological systems with both chemical and electrical subsystems to be modelled. Herein, the bond graph approach is extended to include chemomechanical transduction thus extending the range of biological systems to be modelled. Actin filament polymerization and force generation is used as an example of chemomechanical transduction, and it is shown that the TF (transformer) bond graph component provides a practical, and conceptually simple, alternative to the Brownian ratchet approach of Peskin, Odell, Oster and Mogilner. Furthermore, it is shown that the bond graph approach leads to the same equation as the Brownian ratchet approach in the simplest case. The approach is illustrated by showing that flexibility and non-normal incidence can be modelled by simply adding additional bond graph components and that compliance leads to non-convexity of the force-velocity curve. Energy flows are fundamental to life; for this reason, the energy-based approach is utilized to investigate the power transmission by the actin filament and its corresponding efficiency. The bond graph model is fitted to experimental data by adjusting the model physical parameters.

键图为复杂系统的分层建模提供了一种基于能量的方法;目前,该方法允许对具有化学和电气子系统的生物系统进行建模。在本文中,键图方法被扩展到化学机械传导,从而扩大了生物系统建模的范围。以肌动蛋白丝的聚合和力的产生作为化学机械传导的一个例子,证明了 TF(变压器)键图组件提供了一种实用的、概念简单的方法来替代 Peskin、Odell、Oster 和 Mogilner 的布朗棘轮方法。此外,研究还表明,在最简单的情况下,键合图方法与布朗棘轮方法得出的方程相同。该方法通过显示柔性和非正常入射可通过简单地添加额外的键图成分来建模,以及顺应性导致力-速度曲线的非凸性来说明。能量流是生命的基本要素;因此,我们利用基于能量的方法来研究肌动蛋白丝的动力传输及其相应的效率。通过调整模型的物理参数,将键图模型与实验数据进行拟合。
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引用次数: 0
I2Bot: an open-source tool for multi-modal and embodied simulation of insect navigation. I2Bot:一个开源工具,用于昆虫导航的多模式和具体化仿真。
IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-01-22 DOI: 10.1098/rsif.2024.0586
Xuelong Sun, Michael Mangan, Jigen Peng, Shigang Yue

Achieving a comprehensive understanding of animal intelligence demands an integrative approach that acknowledges the interplay between an organism's brain, body and environment. Insects, despite their limited computational resources, demonstrate remarkable abilities in navigation. Existing computational models often fall short in faithfully replicating the morphology of real insects and their interactions with the environment, hindering validation and practical application in robotics. To address these gaps, we present I2Bot, a novel simulation tool based on the morphological characteristics of real insects. This tool empowers robotic models with dynamic sensory capabilities, realistic modelling of insect morphology, physical dynamics and sensory capacity. By integrating gait controllers and computational models into I2Bot, we have implemented classical embodied navigation behaviours and revealed some fundamental navigation principles. By open-sourcing I2Bot, we aim to accelerate the understanding of insect intelligence and foster advances in the development of autonomous robotic systems.

要全面了解动物的智力,需要一种综合的方法,承认生物体的大脑、身体和环境之间的相互作用。尽管昆虫的计算资源有限,但它们在导航方面表现出了非凡的能力。现有的计算模型往往不能忠实地复制真实昆虫的形态及其与环境的相互作用,阻碍了验证和在机器人中的实际应用。为了解决这些空白,我们提出了I2Bot,一个基于真实昆虫形态特征的新型模拟工具。该工具使机器人模型具有动态感官能力,昆虫形态,物理动力学和感官能力的现实建模。通过将步态控制器和计算模型集成到I2Bot中,我们实现了经典的具身导航行为,揭示了一些基本的导航原理。通过开源I2Bot,我们的目标是加速对昆虫智能的理解,并促进自主机器人系统的发展。
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引用次数: 0
Improving propulsive efficiency using bio-inspired intermittent locomotion. 利用仿生间歇运动提高推进效率。
IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-01-22 DOI: 10.1098/rsif.2024.0624
Tristan Aurégan, Mathilde Lemoine, Benjamin Thiria, Sylvain Courrech du Pont

Many swimmers, especially small- to medium-sized animals, use intermittent locomotion that differs from continuous swimming of large species. This type of locomotion, called burst and coast, is often associated with an energetic advantage. In this work, we investigate the intermittent locomotion inspired by fish locomotion but applied to a propeller. The energy consumption of burst-and-coast cycles is measured and compared to the continuous rotation regime. We show that a substantial drag ratio between the active and passive phases of the motion, as observed in fish, is critical for energy savings. Such a contrast can be obtained using a folding propeller that passively opens and closes as the propeller starts and stops rotating. For this reconfigurable propeller, intermittent propulsion is found to be energetically advantageous, saving up to 24% of the energy required to cruise at a given speed. Using an analytical model, we show that intermittent motion is more efficient than continuous motion when the drag reduction in the coast phase exceeds 65%. For fish-like locomotion, this threshold seems to be closer to 30%. A formal analogy allows us to explain the difference between propeller propulsion and fish locomotion.

许多游泳者,尤其是中小型动物,采用间歇性运动,这与大型动物的连续游泳不同。这种类型的运动,称为爆发和海岸,通常与精力充沛的优势有关。在这项工作中,我们研究了受鱼类运动启发的间歇运动,但应用于螺旋桨。测量了爆发和海岸周期的能量消耗,并与连续旋转状态进行了比较。我们表明,正如在鱼类中观察到的那样,运动的主动和被动阶段之间的实质性阻力比对于节能至关重要。使用折叠式螺旋桨可以获得这样的对比,折叠式螺旋桨在螺旋桨启动和停止旋转时被动打开和关闭。对于这种可重新配置的螺旋桨,间歇性推进被发现在能量上是有利的,在给定的速度下节省高达24%的巡航所需的能量。通过分析模型,我们发现当海岸阶段的阻力减少超过65%时,间歇运动比连续运动更有效。对于像鱼一样的运动,这个阈值似乎更接近30%。一个正式的类比可以让我们解释螺旋桨推进和鱼运动之间的区别。
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引用次数: 0
Uncertainty in COVID-19 transmission could undermine our ability to predict long COVID. COVID-19传播的不确定性可能会削弱我们预测COVID-19长期传播的能力。
IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-01 Epub Date: 2024-12-11 DOI: 10.1098/rsif.2024.0438
Alexander B Beams, David J D Earn, Caroline Colijn

As SARS-CoV-2 has transitioned from a novel pandemic-causing pathogen into an established seasonal respiratory virus, focus has shifted to post-acute sequelae of COVID-19 (PASC, colloquially 'long COVID'). We use compartmental mathematical models simulating emergence of new variants to help identify key sources of uncertainty in PASC trajectories. Some parameters (such as the duration and equilibrium prevalence of infection, as well as the fraction of infections that develop PASC) matter more than others (such as the duration of immunity and secondary vaccine efficacy against PASC). Even if newer variants carry the same risk of PASC as older types, the dynamics of selection can give rise to greater PASC prevalence. However, identifying plausible PASC prevalence trajectories requires accurate knowledge of the transmission potential of COVID-19 variants in the endemic phase. Precise estimates for secondary vaccine efficacy and duration of immunity will not greatly improve forecasts for PASC prevalence. Researchers involved with Living Evidence Synthesis, or other similar initiatives focused on PASC, are well advised to ascertain primary efficacy against infection, duration of infection and prevalence of active infection in order to facilitate predictions.

随着SARS-CoV-2从一种新的引起大流行的病原体转变为一种已确定的季节性呼吸道病毒,重点已转移到COVID-19急性后后遗症(PASC,俗称“长COVID”)。我们使用分区数学模型模拟新变体的出现,以帮助确定PASC轨迹中不确定性的关键来源。一些参数(如感染的持续时间和平衡流行率,以及发生PASC的感染比例)比其他参数(如免疫持续时间和针对PASC的二次疫苗效力)更为重要。即使新变种携带与旧变种相同的PASC风险,动态选择也会导致更大的PASC流行。然而,要确定合理的PASC流行轨迹,需要准确了解COVID-19变体在流行阶段的传播潜力。对二次疫苗效力和免疫持续时间的精确估计不会大大改善对PASC流行率的预测。参与活证据合成的研究人员,或其他类似的PASC研究计划的研究人员,被建议确定抗感染的主要功效、感染持续时间和活动性感染的流行程度,以便于预测。
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引用次数: 0
Nitric oxide modelling and its bioavailability influenced by red blood cells. 一氧化氮模型及其生物利用率受红细胞的影响。
IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-01 Epub Date: 2024-12-18 DOI: 10.1098/rsif.2024.0458
Ananta Kumar Nayak, Marco Canepari, Sovan Lal Das, Chaouqi Misbah

Nitric oxide (NO) is an important vasodilator responsible for maintaining vascular tone in the human body. Its production in endothelial cells (ECs) is regulated by the rise of cytoplasmic Ca2+ concentration and shear stress perceived by blood flow. The increase in cytoplasmic Ca2+ concentration is mainly activated by adenosine triphosphate (ATP) released from red blood cells (RBCs) and ECs. However, RBCs, which act as NO scavengers, can affect the bioavailability of NO in blood vessels. In this study, we developed a model that incorporates ATP and shear stress-dependent NO production, integrating various biochemical pathways. The model results are qualitatively consistent with the experimental findings. Given that ATP concentration and shear stress vary spatially within blood circulation, influenced by factors such as vessel width, flow strength and RBC concentration, these variations can significantly affect NO bioavailability. Here, we study RBC flow, ATP release from RBCs and ECs, and [Formula: see text] and NO dynamics in a two-dimensional channel using the immersed boundary lattice Boltzmann method. The main findings from the study include: (i) an increase in RBC concentration leads to a rise in ATP and cytoplasmic Ca2+ concentrations for all variation in channel widths, while NO concentration exhibits a decrease; (ii) NO bioavailability is significantly influenced by RBC distribution, particularly in strongly confined channels; and (iii) two phases of NO bioavailability are observed in different regions of the blood vessels: one with a significant concentration change at low RBC concentration and another with a minimal concentration change at high RBC concentration, across all confinements. The outcomes of this study may provide valuable insights into the mechanisms of NO-dependent vasodilation and the transport of oxygen by RBCs within microvascular networks for future studies.

一氧化氮(NO)是维持人体内血管张力的重要血管扩张剂。其在内皮细胞(ECs)中的产生受细胞质Ca2+浓度的升高和血流感知的剪切应力的调节。胞质Ca2+浓度的升高主要是由红细胞和内皮细胞释放的三磷酸腺苷(ATP)激活的。然而,红细胞作为一氧化氮清除剂,可以影响血管中一氧化氮的生物利用度。在这项研究中,我们建立了一个模型,结合ATP和剪切应力依赖的NO生产,整合各种生化途径。模型结果与实验结果在质量上是一致的。由于ATP浓度和剪切应力在血液循环中存在空间差异,受血管宽度、血流强度和红细胞浓度等因素的影响,这些变化会显著影响NO的生物利用度。在这里,我们使用浸入边界晶格玻尔兹曼方法研究了红细胞流动、红细胞和内皮细胞的ATP释放,以及[公式:见文本]和NO在二维通道中的动力学。该研究的主要发现包括:(i)红细胞浓度的增加导致ATP和细胞质Ca2+浓度的升高,而NO浓度呈下降趋势;(ii)一氧化氮的生物利用度受到红细胞分布的显著影响,特别是在高度受限的通道中;(iii)在血管的不同区域观察到一氧化氮生物利用度的两个阶段:一个阶段在低RBC浓度下浓度变化显著,另一个阶段在高RBC浓度下浓度变化极小,在所有浓度下。这项研究的结果可能为未来的研究提供有价值的见解,了解一氧化氮依赖性血管舒张和红细胞在微血管网络中的氧运输的机制。
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引用次数: 0
Correction: 'The three-dimensional coarse-graining formulation of interacting elastohydrodynamic filaments and multi-body microhydrodynamics' (2023), by Fuchter and Bloomfield-Gadêlha. 更正:“相互作用弹性流体力学细丝和多体微流体力学的三维粗粒化公式”(2023),Fuchter和Bloomfield-Gadêlha。
IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-01 Epub Date: 2024-12-04 DOI: 10.1098/rsif.2024.0800
Paul Fuchter, Hermes Bloomfield-Gadêlha
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引用次数: 0
On the consequences of intra-operative release versus over-tensioning of the posterior cruciate ligament in total knee arthroplasty. 全膝关节置换术中后交叉韧带过度张力与术中松解的影响。
IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-01 Epub Date: 2024-12-18 DOI: 10.1098/rsif.2024.0588
Seyyed Hamed Hosseini Nasab, Sabrina Hörmann, Thomas M Grupp, William R Taylor, Allan Maas

Intra-operative tensioning of the posterior cruciate ligament (PCL) in total knee arthroplasty (TKA) is commonly based on the surgeon's experience, resulting in a possibly loose or overly tight PCL. To date, the consequences of different PCL tensioning scenarios for the post-operative biomechanics of the knee remain unclear. Using a comprehensive musculoskeletal modelling approach that allows predictive joint kinematic and kinetic balance, we assessed variations in the movement and loading patterns of the knee as well as changes in ligament and muscle forces during walking in response to systematic variations in the PCL reference strain. The results indicate only small differences in the tibiofemoral and patellofemoral kinematics and kinetics for scenarios involving up to 10% release of the PCL (relative to the baseline reference scenario with 2% residual strain). These observations remain valid for simulations performed with high- as well as with low-conformity implant designs. However, over-tensioning of the ligament was found to considerably overload the tibiofemoral joint, including altered contact mechanics, and may therefore shorten the implant longevity. Finally, no meaningful impact of the PCL reference strain on the muscle force patterns was observed. This study therefore favours balancing the knee with a slightly loose rather than tense PCL, if appropriate intra-operative PCL tension cannot be objectively achieved.

全膝关节置换术(TKA)中术中后交叉韧带(PCL)的张力通常是基于外科医生的经验,导致PCL可能松动或过紧。迄今为止,不同的PCL张力方案对术后膝关节生物力学的影响尚不清楚。使用全面的肌肉骨骼建模方法,可以预测关节运动学和动力学平衡,我们评估了膝关节运动和负荷模式的变化,以及行走过程中韧带和肌肉力量的变化,以响应PCL参考应变的系统变化。结果表明,在PCL释放高达10%的情况下(相对于残余应变为2%的基线参考情况),胫股和髌股的运动学和动力学只有很小的差异。这些观察结果对于高符合性和低符合性植入体设计的模拟仍然有效。然而,韧带过度张紧会使胫股关节负荷过大,包括改变接触力学,因此可能缩短假体的使用寿命。最后,没有观察到PCL参考应变对肌肉力模式的有意义的影响。因此,如果术中不能客观地获得适当的PCL张力,本研究更倾向于用稍微松弛的PCL而不是紧绷的PCL来平衡膝关节。
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引用次数: 0
Waveform geometry dictating optimal cruising in animals. 决定动物最佳巡航的波形几何。
IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-01 Epub Date: 2024-12-11 DOI: 10.1098/rsif.2024.0442
Kazuko Yoshizawa, Ryosuke Motani

For sustained swimming and flights, vertebrates and insects oscillate their propulsors periodically within a narrow range of Strouhal number (St), a dimensionless quantity describing the rate and density of the motion, suggesting a close relationship between the range and cruising optimality. The persistence of this range across size and fluids has puzzled biologists and engineers, resulting in multiple interpretations of its cause. Here, we propose that the optimal St range is largely constrained by power output efficiency of the trailing edge of the caudal fin. A mathematical model of the periodic wake of the trailing edge, which defines the proportion of power lost without contributing to propulsion, predicts that such energy loss is minimal in the observed range of St preferred by fish. The constraints apply across a range of Reynolds number in cruising fish. The same constraints dictate the optimal speed across a wide range of swimmers, in combination with morphological characteristics. Other factors such as drag properties also affect the optimal swimming speed, but probably to a smaller extent. The result that the geometry of periodic waveforms is key to cruising optimality provides an additional angle to study animal locomotion in fluids and related bioinspired robotics.

为了持续的游泳和飞行,脊椎动物和昆虫在一个狭窄的斯特劳哈尔数(St)范围内周期性地摆动它们的推进器,这是一个描述运动速率和密度的无量纲量,表明距离和巡航最优性之间存在密切关系。这一范围在大小和流体上的持续存在令生物学家和工程师感到困惑,对其原因产生了多种解释。在这里,我们提出最优St范围在很大程度上受到尾鳍后缘功率输出效率的约束。后缘周期性尾迹的数学模型(定义了不用于推进的功率损失比例)预测,在观察到的鱼类偏好的St范围内,这种能量损失最小。这些约束适用于巡航鱼的整个雷诺数范围。同样的限制决定了游泳者的最佳速度,结合形态特征。其他因素如阻力特性也会影响最佳游泳速度,但影响程度可能较小。周期波形的几何形状是巡航最优性的关键,这一结果为研究动物在流体中的运动和相关的生物机器人技术提供了一个额外的角度。
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引用次数: 0
Soft tissue can absorb surprising amounts of energy during knee exoskeleton use. 在使用膝关节外骨骼时,软组织可以吸收惊人的能量。
IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-01 Epub Date: 2024-12-04 DOI: 10.1098/rsif.2024.0539
W Sebastian Barrutia, Ada Yumiceva, Mai-Ly Thompson, Daniel P Ferris

Soft tissue at the human-exoskeleton interface can deform under load to absorb, return and dissipate the mechanical energy generated by the exoskeleton. These soft tissue effects are often not accounted for and may mislead researchers on the actual joint assistance an exoskeleton provides. We assessed the effects of soft tissue by quantifying the performance and energy distribution of a knee exoskeleton under different assistance strategies using a synthetic lower limb phantom. The phantom emulated knee kinematics and soft tissue deformation at the exoskeleton interface. We loaded the exoskeleton on the phantom under six different spring stiffness conditions. Motion capture marker and load cell data from the phantom-exoskeleton assembly allowed us to estimate the moments, stiffness and energy contributions of the exoskeleton and physical interface. We found that soft tissue caused interface power to increase and exoskeleton power to decrease with increasing spring stiffness. Despite similar joint kinematics, our findings show that increasing exoskeleton assistance did not notably change power transfer to the targeted joint, as soft tissue compressed under high forces. Our methodology improves exoskeleton design process by estimating energy distribution and transfer for exoskeletons while accounting for the effects of soft tissue deformation before human testing.

人-外骨骼界面处的软组织在载荷作用下发生变形,以吸收、返回和耗散外骨骼产生的机械能。这些软组织的影响通常没有被考虑在内,可能会误导研究人员对外骨骼提供的实际关节辅助。我们通过使用合成下肢假体量化膝关节外骨骼在不同辅助策略下的性能和能量分布来评估软组织的影响。假体模拟膝关节运动和外骨骼界面处的软组织变形。我们在六种不同的弹簧刚度条件下将外骨骼加载到幻影上。来自幻影外骨骼组件的动作捕捉标记和称重传感器数据使我们能够估计外骨骼和物理界面的力矩、刚度和能量贡献。我们发现,随着弹簧刚度的增加,软组织导致界面功率增加,外骨骼功率降低。尽管关节运动学相似,我们的研究结果表明,增加外骨骼辅助并没有显著改变向目标关节的能量传递,因为软组织在高压下被压缩。我们的方法通过估算外骨骼的能量分布和转移来改进外骨骼设计过程,同时在人体测试之前考虑软组织变形的影响。
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引用次数: 0
Temporal contact patterns and the implications for predicting superspreaders and planning of targeted outbreak control. 时间接触模式及其对预测超级传播者和目标爆发控制计划的影响。
IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-01 Epub Date: 2024-12-18 DOI: 10.1098/rsif.2024.0358
Rachael Pung, Josh A Firth, Timothy W Russell, Tim Rogers, Vernon J Lee, Adam J Kucharski

Directly transmitted infectious diseases spread through social contacts that change over time, but outbreak models typically make simplifying assumptions about network structure and dynamics. To assess how common assumptions relate to real-world interactions, we analysed 11 networks from five settings and developed metrics, capturing crucial epidemiological features of these networks. We developed a novel metric, the 'retention index', to characterize the distribution of retained contacts over consecutive time steps relative to fully static and dynamic networks. In workplaces and schools, contacts in the same department formed most of the retained contacts. In contrast, no clear contact type dominated the retained contacts in hospitals, thus reducing overall risk of disease introduction would be more effective than control targeted at departments. We estimated the contacts repetition over multiple days and showed that simple resource planning models overestimate the number of unique contacts by 20%-70%. We distinguished the difference between 'superspreader' and infectious individuals driving 'superspreading events' by measuring how often the individual represents the top 80% of contacts in the time steps over the study duration. We showed an inherent difficulty in identifying 'superspreaders' reliably: less than 20% of the individuals in most settings were highly connected for multiple time steps.

直接传播的传染病通过随时间变化的社会接触传播,但爆发模型通常简化了对网络结构和动态的假设。为了评估常见假设与现实世界相互作用的关系,我们分析了五种环境下的11个网络,并制定了指标,捕捉了这些网络的关键流行病学特征。我们开发了一种新的度量,即“保留指数”,以表征相对于完全静态和动态网络的连续时间步骤中保留联系人的分布。在工作场所和学校,同一部门的联系人构成了大多数保留的联系人。相比之下,医院保留接触者中没有明确的接触类型占主导地位,因此降低疾病传入的总体风险比针对科室的控制更有效。我们估计了数天内的联系人重复次数,并表明简单的资源规划模型高估了20%-70%的唯一联系人数量。我们通过测量个体在研究期间的时间步长中代表前80%接触者的频率来区分“超级传播者”和驱动“超级传播事件”的感染个体之间的差异。我们发现,在可靠地识别“超级传播者”方面存在固有的困难:在大多数情况下,只有不到20%的个体在多个时间步长内高度连接。
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引用次数: 0
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