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Structural determinants of soft memory in recurrent biological networks. 循环生物网络中软记忆的结构决定因素。
IF 4.9 Q1 BIOPHYSICS Pub Date : 2025-03-03 eCollection Date: 2025-04-01 DOI: 10.1007/s12551-025-01295-w
Maria Sol Vidal-Saez, Jordi Garcia-Ojalvo

Recurrent neural networks are frequently studied in terms of their information-processing capabilities. The structural properties of these networks are seldom considered, beyond those emerging from the connectivity tuning necessary for network training. However, real biological networks have non-contingent architectures that have been shaped by evolution over eons, constrained partly by information-processing criteria, but more generally by fitness maximization requirements. Here, we examine the topological properties of existing biological networks, focusing in particular on gene regulatory networks in bacteria. We identify structural features, both local and global, that dictate the ability of recurrent networks to store information on the fly and process complex time-dependent inputs.

递归神经网络在信息处理能力方面经常被研究。除了网络训练所需的连接性调优之外,这些网络的结构特性很少被考虑。然而,真正的生物网络具有非偶然的架构,这些架构是由千万年的进化形成的,部分受到信息处理标准的限制,但更普遍的是受到适应性最大化要求的限制。在这里,我们研究了现有生物网络的拓扑特性,特别关注细菌中的基因调控网络。我们确定了局部和全局的结构特征,这些结构特征决定了循环网络在飞行中存储信息和处理复杂的时间依赖输入的能力。
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引用次数: 0
Magnesium sulfate in oxidative stress-associated pathologies: clinical, cellular, and molecular perspectives. 硫酸镁在氧化应激相关病理:临床,细胞和分子的观点。
IF 4.9 Q1 BIOPHYSICS Pub Date : 2025-03-01 eCollection Date: 2025-04-01 DOI: 10.1007/s12551-025-01292-z
Reinaldo Marín, Cilia Abad, Deliana Rojas, Miguel Fernández, Fernando Ruette

Magnesium sulfate (MgSO₄) is a therapeutically versatile agent used across various medical conditions. This review integrates experimental and computational findings to elucidate the clinical, cellular, molecular, and electronic mechanisms underlying MgSO₄'s therapeutic effects, focusing on its antioxidant properties. MgSO₄ remains the gold standard treatment for preeclampsia and eclampsia, preventing seizures and mitigating oxidative damage. In preterm birth, it offers fetal neuroprotection, although its efficacy as a tocolytic agent is limited. MgSO₄ also shows promise in treating respiratory conditions, notably severe asthma, where it acts as a bronchodilator. Its applications extend to anesthesia, pain management, and cardiac arrhythmias, reflecting its diverse pharmacological actions. Advanced computational methods, including molecular dynamics simulations and quantum chemistry calculations, have revealed how MgSO₄ interacts with cell membranes and neutralizes hydroxyl radicals. These studies suggest that MgSO₄'s antioxidant effects stem from its ability to stabilize membrane structures and modulate electron transfer processes. The therapeutic effects are mediated through multiple pathways, including calcium channel modulation, NMDA receptor antagonism, and anti-inflammatory mechanisms. Although generally safe, MgSO₄ requires careful monitoring due to its narrow therapeutic window. Future research should focus on precision dosing strategies, innovative delivery systems, and expanded therapeutic applications. A comprehensive understanding of MgSO₄'s molecular mechanisms and clinical applications will further optimize its therapeutic use.

Graphical abstract:

硫酸镁(MgSO₄)是一种治疗用途广泛的药物,用于各种医疗条件。本文综合了实验和计算结果,阐明了硫酸镁治疗效果的临床、细胞、分子和电子机制,重点是其抗氧化性能。硫酸镁仍然是治疗先兆子痫和子痫的金标准,可以预防癫痫发作并减轻氧化损伤。在早产,它提供胎儿神经保护,虽然它的功效作为一个溶胎剂是有限的。硫酸镁也显示出治疗呼吸系统疾病的希望,特别是严重哮喘,它可以作为支气管扩张剂。它的应用扩展到麻醉、疼痛管理和心律失常,反映了它的多种药理作用。先进的计算方法,包括分子动力学模拟和量子化学计算,揭示了硫酸镁如何与细胞膜相互作用并中和羟基自由基。这些研究表明,硫酸镁的抗氧化作用源于其稳定膜结构和调节电子转移过程的能力。治疗效果是通过多种途径介导的,包括钙通道调节、NMDA受体拮抗和抗炎机制。虽然mgso4通常是安全的,但由于其狭窄的治疗窗口,需要仔细监测。未来的研究应侧重于精确给药策略、创新给药系统和扩大治疗应用。全面了解硫酸镁的分子机制和临床应用将进一步优化其治疗应用。图形化的简介:
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引用次数: 0
Various challenges in understanding the thick filaments, within and outside skeletal and cardiac muscles. 在理解骨骼肌和心肌内外的粗纤维时面临的各种挑战。
IF 3.7 Q1 BIOPHYSICS Pub Date : 2025-02-27 eCollection Date: 2025-06-01 DOI: 10.1007/s12551-025-01289-8
Jean Emile Morel

Thick filaments isolated from various sources, most frequently skeletal and cardiac muscles, have been studied, but several aspects of their behavior remain to be clarified. Myosin II is the principal component of these filaments. A "traditional" interacting-heads motif (IHM) has been observed in isolated thick filaments. In this motif, the two heads of the myosin II molecule interact and are stuck to the backbone of the filaments. Another aspect, the super-relaxed state (SRX state), has been described in situ, in relaxed demembranated muscle fibers and myofibrils. It has frequently been claimed that the IHM and the SRX state are closely related. Some authors still consider this relationship valid, but this view is now broadly called into question. These two phenomena occur in very different conditions, making it difficult to determine if and how they are related. For example, macromolecular crowding is a characteristic feature in situ (regardless of interfilament spacing), but not in the conditions in which the "traditional" IHM has been observed. Recent studies in situ have attempted to resolve this problem, but some of the reported findings conflict. Moreover, the association of other proteins with the myosin filaments in situ increases thick filament complexity. Experimental conditions may affect the results obtained but the consideration of long-overlooked data would help to prevent erroneous interpretations. For instance, neither the absence (EM studies) or presence (in situ studies) of cell-associated water nor electrical charges are taken into account in any of the published studies in this domain and the omission of these two parameters could lead to contradictory conclusions. My principal objective here is to provide a brief overview (with a limited number of illustrative references) of the increasing complexity of our understanding of thick filaments over the years, particularly as concerns the weak coupling or absence of coupling between the IHM and the SRX state (recent findings that may be difficult to interpret).

从各种来源分离的粗纤维,最常见的是骨骼肌和心肌,已经被研究过,但它们的行为的几个方面仍有待澄清。肌球蛋白II是这些纤维的主要成分。在孤立的粗细丝中观察到“传统的”相互作用头基序(IHM)。在这个基序中,肌球蛋白II分子的两个头相互作用并粘在纤维的主干上。另一个方面,超放松状态(SRX状态),已经在原位描述,在松弛的脱膜肌纤维和肌原纤维中。人们经常声称IHM和SRX状态密切相关。一些作者仍然认为这种关系是有效的,但这种观点现在普遍受到质疑。这两种现象发生在非常不同的条件下,因此很难确定它们是否相关以及如何相关。例如,大分子拥挤是原位(无论纤维间距如何)的特征,但不是在“传统”IHM被观察到的条件下。最近的实地研究试图解决这个问题,但一些报道的发现相互矛盾。此外,其他蛋白质与肌球蛋白丝的原位结合增加了粗丝的复杂性。实验条件可能会影响得到的结果,但考虑长期被忽视的数据将有助于防止错误的解释。例如,在该领域发表的任何研究中,都没有考虑到细胞相关水或电荷的缺失(EM研究)或存在(原位研究),这两个参数的遗漏可能导致相互矛盾的结论。我在这里的主要目的是提供一个简短的概述(具有有限数量的说明性参考文献),说明多年来我们对厚细丝的理解日益复杂,特别是关于IHM和SRX状态之间的弱耦合或不耦合(最近的发现可能难以解释)。
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引用次数: 0
Biophysical Reviews: welcoming a new year in biophysics. 生物物理评论:迎接新的一年的生物物理学。
IF 4.9 Q1 BIOPHYSICS Pub Date : 2025-02-27 eCollection Date: 2025-02-01 DOI: 10.1007/s12551-025-01291-0
Wilma K Olson

This Editorial introduces the contents of Volume 17, Issue 1 of Biophysical Reviews, the official journal of the International Union for Pure and Applied Biophysics (IUPAB). A major highlight of the Issue is the announcement of the winner of the 2025 Michéle Auger Award for Young Scientists' Independent Research. The broad scope of the articles in the Issue and the geographically widespread locations of the contributing authors of the reviews in the Issue mirror the goals of IUPAB, namely to organize worldwide advancements, co-operation, communication, and education in biophysics.

这篇社论介绍了国际纯粹与应用生物物理学联合会(IUPAB)的官方期刊《生物物理评论》第17卷第1期的内容。该问题的一个主要亮点是宣布了2025年青年科学家独立研究michsamle Auger奖的获奖者。本刊文章的广泛范围和投稿作者的地理分布反映了IUPAB的目标,即组织世界范围内的生物物理学进步、合作、交流和教育。
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引用次数: 0
Hydrogen peroxide transport by aquaporins: insights from molecular modeling and simulations. 过氧化氢通过水通道蛋白运输:从分子模型和模拟的见解。
IF 3.7 Q1 BIOPHYSICS Pub Date : 2025-02-20 eCollection Date: 2025-04-01 DOI: 10.1007/s12551-025-01288-9
Jonathan Chevriau, Gerardo Zerbetto De Palma, Karina Alleva, Ari Zeida

Hydrogen peroxide (H2O2) is a key reactive oxygen species involved in cellular redox signaling and oxidative stress. Due to its polar nature, its transport across membranes is regulated by aquaporins (AQPs), membrane channels traditionally known for H2O transport. Certain AQPs, known as peroxiporins, facilitate selective H2O2 permeation, playing critical roles in mantaining redox homeostasis. This review summarizes insights from molecular dynamics (MD) simulations into the mechanisms of H2O2 transport through AQPs. Key structural regions, such as the selectivity filter (SF) and NPA motif, influence H2O2 permeation, with energy profiles revealing differences from H2O transport. While molecular mimicry suggests similarities in the movement of H2O and H2O2, specific interactions and energetic barriers highlight the complexity of the process. We highlight the need for integrating computational and experimental findings for further studies to unify mechanistic understanding and develop applications in redox biology.

过氧化氢(H2O2)是参与细胞氧化还原信号和氧化应激的关键活性氧。由于其极性性质,其跨膜运输由水通道蛋白(AQPs)调节,这是传统上已知的用于水运输的膜通道。某些aqp,被称为过氧化物酶,促进H2O2选择性渗透,在维持氧化还原稳态中起关键作用。本文综述了分子动力学(MD)模拟对H2O2通过aqp转运机制的见解。关键结构区域,如选择性过滤器(SF)和NPA基序,影响H2O2的渗透,其能量分布显示与H2O传输的差异。虽然分子模拟表明H2O和H2O2的运动相似,但特定的相互作用和能量障碍突出了这一过程的复杂性。我们强调需要整合计算和实验结果,以进一步研究统一的机制理解和开发应用在氧化还原生物学。
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引用次数: 0
Metal hexacyanoferrates in photodynamic and photothermal therapies. 金属六氰高铁在光动力和光热疗法中的应用。
IF 3.7 Q1 BIOPHYSICS Pub Date : 2025-02-20 eCollection Date: 2025-04-01 DOI: 10.1007/s12551-025-01287-w
Patrícia Alves de Matos, Hellen Cristina Novais de Oliveira, Murillo Néia Thomaz da Silva, Edson Nossol, Tayana Mazin Tsubone

Photodynamic therapy (PDT) involves a reaction between photosensitizers (PS) and oxygen (O2) to generate cytotoxic reactive oxygen species (ROS), which effectively eliminate undesired cells. Compared to conventional treatments like surgery, radiation, and chemotherapy, PDT offers several advantages, including minimal toxicity to healthy tissues and no long-term systemic side effects. However, its therapeutic efficacy is limited under hypoxic conditions, as the process relies on the presence of oxygen in the target tissue. To address these challenges, combining PDT with photothermal therapy (PTT) creates a synergistic phototherapy approach. The heat generated by PTT enhances blood flow in tumors, increasing oxygen delivery to tumor sites and boosting PDT's effectiveness. These combinations are being explored in PDT/PTT as an innovative, synergistic cancer treatment strategy, aiming to enhance the therapeutic index. One promising strategy to connect both PDT and PTT therapies involves developing nanosystems that integrate metal hexacyanoferrate (MHCF) nanoparticles with multifunctional PS. Here, we review several studies that have evaluated the combination of MHCF with various PSs to apply PDT and PTT synergistically. We discuss how nanocomposites based on these materials can address the challenges and limitations still faced in PDT/PTT. This review aims to identify new opportunities for the application of metal hexacyanoferrates in these phototherapeutic modalities.

光动力疗法(PDT)涉及光敏剂(PS)和氧气(O2)之间的反应,产生细胞毒性活性氧(ROS),有效地消除不需要的细胞。与手术、放疗和化疗等传统治疗方法相比,PDT有几个优点,包括对健康组织的毒性最小,没有长期的全身副作用。然而,它的治疗效果在缺氧条件下是有限的,因为这个过程依赖于目标组织中氧气的存在。为了解决这些挑战,将PDT与光热疗法(PTT)相结合创造了一种协同光疗方法。PTT产生的热量增强了肿瘤内的血液流动,增加了向肿瘤部位的氧气输送,提高了PDT的有效性。这些组合正在PDT/PTT中作为一种创新的、协同的癌症治疗策略进行探索,旨在提高治疗指数。连接PDT和PTT治疗的一个有希望的策略是开发将金属六氰铁酸盐(MHCF)纳米颗粒与多功能PS结合的纳米系统。在这里,我们回顾了几项研究,这些研究已经评估了MHCF与各种PS的组合,以协同应用PDT和PTT。我们讨论了基于这些材料的纳米复合材料如何解决PDT/PTT中仍然面临的挑战和限制。本文综述旨在确定金属六氰高铁酸盐在这些光疗方式中的应用的新机会。
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引用次数: 0
Integrating chemical artificial intelligence and cognitive computing for predictive analysis of biological pathways: a case for intrinsically disordered proteins. 整合化学人工智能和认知计算用于生物途径的预测分析:一个内在无序蛋白质的案例。
IF 3.7 Q1 BIOPHYSICS Pub Date : 2025-02-15 eCollection Date: 2025-06-01 DOI: 10.1007/s12551-025-01286-x
Orkid Coskuner-Weber, Pier Luigi Gentili, Vladimir N Uversky

Incorporating biological molecular interactions into cognitive computing through chemical artificial intelligence (AI) presents a transformative approach with far-reaching implications for various fields, such as protein engineering, drug discovery, bioinformatics, synthetic biology, and unconventional computing. Cognitive computing, designed to emulate human thought processes and enhance decision-making, utilizes technologies, such as machine learning, natural language processing, and speech recognition for better human-system interactions. Despite advancements, the integration of biological processes with cognitive computing remains fraught with challenges, particularly due to the complexity and scale of biological data. Here, we explore the possible benefits of connecting cognitive computing with biological knowledge, including more precise models of protein interactions, gene regulation, and metabolic pathways, which could lead to personalized treatments and early disease detection. Furthermore, we discuss the intersection of cognitive computing and biophysical research techniques, examining how analogies from neuroscience-like synaptic communication and neural plasticity-can inform the development of neuromorphic chips and enhance predictive models. Additionally, the study delves into intrinsically disordered proteins (IDPs) and their crucial roles in brain function and information processing. These insights are pivotal for advancing neuroinformatics and creating more adaptive, context-aware cognitive computing algorithms. By leveraging biophysical investigations and the unique properties of IDPs, the research aims to bridge the gap between the biological processes and their computational analogs, proposing novel methods, such as chemical AI implemented in liquid solutions as promising avenues for future advancements.

通过化学人工智能(AI)将生物分子相互作用纳入认知计算,为蛋白质工程、药物发现、生物信息学、合成生物学和非常规计算等各个领域提供了一种具有深远影响的变革性方法。认知计算旨在模拟人类思维过程并增强决策能力,它利用机器学习、自然语言处理和语音识别等技术来实现更好的人类系统交互。尽管取得了进步,但生物过程与认知计算的整合仍然充满挑战,特别是由于生物数据的复杂性和规模。在这里,我们探讨了将认知计算与生物学知识联系起来的可能好处,包括更精确的蛋白质相互作用模型、基因调控和代谢途径,这可能导致个性化治疗和早期疾病检测。此外,我们还讨论了认知计算和生物物理研究技术的交叉,研究了神经科学中的类比(如突触通信和神经可塑性)如何为神经形态芯片的开发提供信息并增强预测模型。此外,该研究还深入研究了内在无序蛋白(IDPs)及其在大脑功能和信息处理中的关键作用。这些见解对于推进神经信息学和创造更具适应性、上下文感知的认知计算算法至关重要。通过利用生物物理研究和IDPs的独特特性,该研究旨在弥合生物过程与其计算类似物之间的差距,提出新颖的方法,例如在液体溶液中实施的化学人工智能,作为未来进步的有希望的途径。
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引用次数: 0
The brightness of lectins conjugated to quantum dots. 与量子点结合的凝集素的亮度。
IF 3.7 Q1 BIOPHYSICS Pub Date : 2025-02-13 eCollection Date: 2025-04-01 DOI: 10.1007/s12551-025-01283-0
João V A Lima, Weslley F Oliveira, Abdênego R Silva, Francisco P T Melo, Martha S Ribeiro, Paulo E Cabral Filho, Adriana Fontes

One of the main focuses of glycobiology is investigating the synthesis and modification of carbohydrates in biological systems, due to their involvement in various processes such as cell recognition, differentiation, and immune response. Since the study of these glycans contributes to the understanding of complex biological functions, these biochemical compounds can be analyzed using lectins, which are ubiquitous proteins in nature capable of specifically recognizing carbohydrates. In addition, lectin-carbohydrate interaction can be visualized by conjugating these proteins with quantum dots (QDs), which are fluorescent nanoprobes with advantageous properties, including photostability and size-tunable emission. QDs also possess chemically active surfaces that enable the attachment of biomolecules, such as lectins. In this review, we provide detailed reports of studies involving QD-lectin conjugates conducted by the Biomedical Nanotechnology Group at the Federal University of Pernambuco (UFPE/Brazil) and its collaborators. An integrated perspective on the use of QD-lectin conjugates to study saccharides in a range of biological systems, from bacteria and fungi to red blood cells and cancer tissues, is also presented. We hope this comprehensive review inspires further studies exploring the brightness of lectins upon conjugation with QDs to unravel glycobiological processes.

糖生物学的一个主要焦点是研究碳水化合物在生物系统中的合成和修饰,因为它们参与了各种过程,如细胞识别、分化和免疫反应。由于对这些聚糖的研究有助于理解复杂的生物学功能,因此可以使用凝集素来分析这些生化化合物,凝集素是自然界中普遍存在的能够特异性识别碳水化合物的蛋白质。此外,凝集素-碳水化合物相互作用可以通过将这些蛋白质与量子点(QDs)偶联来可视化,量子点是具有光稳定性和尺寸可调发射等优势特性的荧光纳米探针。量子点还具有化学活性表面,使生物分子(如凝集素)能够附着。在这篇综述中,我们提供了由伯南布哥联邦大学(uppe /Brazil)生物医学纳米技术小组及其合作者进行的涉及量子点凝集素偶联物的研究的详细报告。还介绍了利用量子点凝集素偶联物研究一系列生物系统中的糖类的综合观点,从细菌和真菌到红细胞和癌症组织。我们希望这篇综述能启发进一步的研究,探索凝集素与量子点结合时的亮度,以揭示糖生物学过程。
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引用次数: 0
Wiener filter unifies Hilbert and Zernike phase plates in electron microscopy. 维纳滤波器统一了电子显微镜中的希尔伯特相板和泽尼克相板。
IF 3.7 Q1 BIOPHYSICS Pub Date : 2025-02-13 eCollection Date: 2025-02-01 DOI: 10.1007/s12551-025-01272-3
Kuniaki Nagayama

We report on two key discoveries resulting from the combination of the Hilbert phase plate (HPP) and the Wiener filter: firstly, the resolution of the HPP's mixed image problem through a one-step experiment, and secondly, the unification of the Zernike phase plate (ZPP) and the HPP. When the phase of the HPP is reduced to less than π, it produces a mixed image comprising both the normal and the differential images. The HPPU (left-right unified HPP), proposed to address this issue, required a two-step experimental process. However, during our efforts to resolve the mixed image problem using either the left or right HPP, we discovered that the Wiener filtering process not only addresses this issue but also facilitates the unification of the ZPP and HPP. We will discuss the theoretical development behind these discoveries and their verification through simulations of three phase contrast methods: the Scherzer, ZPP, and HPP methods.

本文报道了希尔伯特相位板(HPP)与维纳滤波器结合的两个重要发现:一是通过一步实验解决了希尔伯特相位板的混合像问题;二是泽尼克相位板(ZPP)与希尔伯特相位板(HPP)的统一。当HPP的相位减小到小于π时,它产生一个混合图像,包括正常图像和差分图像。为解决这一问题而提出的HPPU(左右统一HPP)需要两个步骤的实验过程。然而,在我们使用左或右HPP解决混合图像问题的过程中,我们发现维纳滤波过程不仅解决了这个问题,而且促进了ZPP和HPP的统一。我们将讨论这些发现背后的理论发展,并通过三种相对比方法的模拟来验证它们:Scherzer, ZPP和HPP方法。
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引用次数: 0
Differential scanning fluorimetry followed by microscale thermophoresis and/or isothermal titration calorimetry as an efficient tool for ligand screening. 差示扫描荧光法,然后是微尺度热泳和/或等温滴定量热法,作为配体筛选的有效工具。
IF 4.9 Q1 BIOPHYSICS Pub Date : 2025-02-13 eCollection Date: 2025-02-01 DOI: 10.1007/s12551-025-01280-3
Maria Winiewska-Szajewska, Jarosław Poznański

Various biophysical and biochemical techniques have been developed to measure the affinity of interacting molecules. This review analyzes the combination of three methods: differential scanning fluorimetry as the initial high-throughput screening technique and microscale thermophoresis and isothermal titration calorimetry as complementary methods to quantify binding affinity. The presented work is the first to detailed compare the strengths and flaws of these three specific methods, as well as their application possibilities and complementarity. The fundamentals of these methods will be covered, including the most often-used models for characterizing observable phenomena and an emphasis on methods for analyzing data. A comprehensive review of numerous approaches to data analysis found in the literature is additionally provided, with the benefits and drawbacks of each, as well as the pitfalls and related concerns. Finally, examples of different systems will be presented, and methods used and some discrepancies in results will be described and discussed.

各种生物物理和生化技术已经发展到测量相互作用分子的亲和力。本文分析了三种方法的结合:作为初始高通量筛选技术的差示扫描荧光法和作为补充的微尺度热泳术和等温滴定量热法。本文首次详细比较了这三种具体方法的优缺点,以及它们的应用可能性和互补性。这些方法的基本原理将被涵盖,包括最常用的模型表征可观察到的现象,并强调分析数据的方法。此外,还提供了对文献中发现的许多数据分析方法的全面审查,其中包括每种方法的优点和缺点,以及陷阱和相关问题。最后,将介绍不同系统的例子,所使用的方法和结果中的一些差异将被描述和讨论。
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引用次数: 0
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