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Computational Advances in RNA-Small Molecule Binding Site Prediction. rna -小分子结合位点预测的计算研究进展。
IF 4.5 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-02-05 DOI: 10.1016/j.pbiomolbio.2026.02.003
Lang Yang, Zou Yan, Yanhui Liu, Yuyu Feng

RNA-small molecule interactions are fundamental to cellular regulation and have emerged as highly attractive therapeutic targets. Despite their potential, discovering RNA-binding small molecules remains challenging due to RNA's intrinsic structural flexibility, transient and context-dependent binding pockets, and the limited availability of high-resolution complex structures. Computational prediction approaches have evolved from early statistical models relying on handcrafted descriptors to advanced machine and deep learning frameworks that integrate sequence, structural, energetic, and topological information. More recently, large language models have enabled the capture of long-range sequence dependencies and contextual patterns, complementing structure-based encoders for multimodal modeling of RNA- ligand interactions. In this review, we summarize the principles and current state of computational strategies for RNA-ligand binding site prediction, highlighting methodological evolution, multimodal feature integration, and persisting challenges, and we discuss emerging directions toward accurate, generalizable, and interpretable predictions to accelerate rational RNA-targeted drug discovery.

rna -小分子相互作用是细胞调控的基础,已成为极具吸引力的治疗靶点。尽管具有潜力,但发现RNA结合小分子仍然具有挑战性,这是由于RNA固有的结构灵活性,瞬时和上下文依赖的结合口袋,以及高分辨率复杂结构的有限可用性。计算预测方法已经从依赖手工描述符的早期统计模型发展到集成序列、结构、能量和拓扑信息的高级机器和深度学习框架。最近,大型语言模型已经能够捕获远程序列依赖关系和上下文模式,补充了基于结构的编码器,用于RNA-配体相互作用的多模态建模。在这篇综述中,我们总结了rna -配体结合位点预测的计算策略的原理和现状,强调了方法的演变、多模态特征集成和持续的挑战,并讨论了准确、可推广和可解释的预测的新兴方向,以加速合理的rna靶向药物发现。
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引用次数: 0
Magnetic hyperthermia's potential in triple-negative breast cancer treatment. 磁热疗在三阴性乳腺癌治疗中的潜力。
IF 4.5 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-02-05 DOI: 10.1016/j.pbiomolbio.2026.02.001
Taslima Musa Zerin, Brian W Booth

About 10-15% of all instances of breast cancer are triple-negative breast cancer (TNBC). TNBCs are not responsive to hormonal or anti-HER2 therapies because they lack estrogen and progesterone receptors and have low HER2 levels. TNBC is a highly aggressive subtype of breast cancer and has a prognosis often worse than that of other subtypes. Usually, chemotherapy and surgery are combined since this is a very efficient way to remove tumors. Chemotherapy medications that effectively remove cancer cells may adversely affect healthy cells and have severe repercussions, which can impair patients' psychological well-being and quality of life (QOL). To minimize adverse effects, improve patient quality of life, and maintain therapeutic efficacy, a more targeted therapy approach for TNBC should be explored. Magnetic hyperthermia (MHT) is a passive-targeting, minimally invasive treatment for TNBC that minimizes the requirement for other severe, well-established therapies having both short- and long-term toxicities for patients. MHT involves heating magnetic nanoparticles (MNPs) in an alternating magnetic field (AMF) to heat local tissues/cells without killing normal epithelial cells, as they are more temperature-resistant than tumor cells. Additionally, MNPs can bind chemotherapeutics, nucleic acids, synthetic antibodies, or radionuclide compounds, a strategy considered for drug delivery. This review summarizes the implications and current treatment options for TNBC, highlighting the use of MNPs for MHT as a potential treatment strategy.

所有乳腺癌病例中约有10-15%为三阴性乳腺癌(TNBC)。tnbc对激素或抗HER2治疗没有反应,因为它们缺乏雌激素和孕激素受体,HER2水平较低。TNBC是一种高度侵袭性的乳腺癌亚型,其预后通常比其他亚型差。通常,化疗和手术相结合,因为这是一种非常有效的切除肿瘤的方法。有效清除癌细胞的化疗药物可能会对健康细胞产生不利影响,并产生严重的后果,从而损害患者的心理健康和生活质量(QOL)。为了最大限度地减少不良反应,提高患者生活质量,保持治疗效果,应探索更有针对性的TNBC治疗方法。磁热疗(MHT)是一种被动靶向、微创治疗TNBC的方法,可以最大限度地减少对其他严重的、成熟的、对患者具有短期和长期毒性的治疗方法的需求。MHT包括在交变磁场(AMF)中加热磁性纳米颗粒(MNPs)来加热局部组织/细胞,而不会杀死正常上皮细胞,因为它们比肿瘤细胞更耐温度。此外,MNPs可以结合化疗药物、核酸、合成抗体或放射性核素化合物,这是一种考虑用于药物递送的策略。这篇综述总结了TNBC的意义和目前的治疗选择,强调了MNPs在MHT中的应用是一种潜在的治疗策略。
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引用次数: 0
Electric Cell-Substrate Impedance Sensing (ECIS) for the analysis of shear stress effects on cell monolayers. 电-基底阻抗传感(ECIS)用于分析剪切应力对单层细胞的影响。
IF 4.5 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-02-03 DOI: 10.1016/j.pbiomolbio.2026.02.002
Fernando Pesantez Torres, Michael Detweiler, Charles R Keese

Shear stress, a stress that acts co-planar with the cross-section of a system, profoundly influences cellular behavior and function. Understanding how cells respond to shear stress is critical for advancing research in vascular biology, tissue engineering, and cancer metastasis. On the other hand, Electric Cell-Substrate Impedance Sensing (ECIS) is a powerful tool for real-time, label-free monitoring of cellular behavior. This review examines the application of combining ECIS and flow systems to study, in real-time, the effects of shear stress on cell monolayers, such as the impact on barrier function. It highlights its advantages, the various experimental setups, and key experimental findings.

剪切应力是一种与系统横截面共面作用的应力,它深刻地影响细胞的行为和功能。了解细胞如何对剪切应力作出反应对于推进血管生物学、组织工程和癌症转移的研究至关重要。另一方面,电细胞-衬底阻抗传感(ECIS)是实时、无标签监测细胞行为的强大工具。本文综述了结合ECIS和流动系统的应用,实时研究剪切应力对细胞单层的影响,例如对屏障功能的影响。它强调了它的优点,各种实验设置,以及关键的实验发现。
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引用次数: 0
Biomagnetism of oral tissues and external magnetic field interactions with cell membranes, oral microflora, and orthodontic magnetic therapies: A review 口腔组织的生物磁性和外磁场与细胞膜、口腔微生物群和正畸磁疗的相互作用:综述。
IF 4.5 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-23 DOI: 10.1016/j.pbiomolbio.2026.01.003
Sisenando Itabaiana Sobrinho , Luiz Claudio Meira-Belo , Nelcy Della Santina Mohallem
Various rare earth magnets have been successfully applied in clinical orthodontics; however, their interactions with the oral environment remain only partially understood. Various controversies remain regarding magnetic fields (MFs) in cell biophysics owing to the heterogeneity of field parameters (including intensity, exposure time, and waveform) and experimental conditions, with little consensus on the topic. This article aimed to comprehensively review recent findings on biomagnetism in oral tissues, the mechanisms of action of exogenous MFs, the behavior of MF-stimulated cell membranes, the biocompatibility of magnetic materials, and their effects on oral microflora. Additionally, novel concepts regarding orthodontic movement, such as biomagnetism, diamagnetic anisotropy of biological tissues, and bone semiconduction, are discussed. The interplay of these phenomena with external MFs and bone piezoelectricity may provide novel insights into the electromagnetic phenomena involved in orthodontic movements. To date, research on MFs and oral microbiota has yielded inconclusive results. Hence, improving magnetic materials, clarifying the magnetic properties of tissues and their interactions, and considering the use of magnetic materials as complementary therapy in orthodontic movement is crucial for achieving a new level of clinical excellence.
各种稀土磁铁已成功应用于临床正畸;然而,它们与口腔环境的相互作用仍然只是部分了解。由于磁场参数(包括强度、暴露时间和波形)和实验条件的异质性,关于细胞生物物理学中的磁场(MFs)仍然存在各种争议,对该主题几乎没有共识。本文综述了近年来口腔组织生物磁性的研究进展、外源性磁性材料的作用机制、磁性材料刺激细胞膜的行为、磁性材料的生物相容性及其对口腔菌群的影响。此外,还讨论了关于正畸运动的新概念,如生物磁性、生物组织的抗磁性各向异性和骨半导体。这些现象与外部MFs和骨压电的相互作用可能为正畸运动中涉及的电磁现象提供新的见解。迄今为止,对MFs和口腔微生物群的研究还没有得出结论性的结果。因此,改进磁性材料,明确组织的磁性及其相互作用,并考虑使用磁性材料作为正畸运动的补充疗法,对于实现新的临床卓越水平至关重要。
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引用次数: 0
Recent advances in targeting regions of interest for In situ cryo-electron tomography of cellular architecture 细胞结构原位冷冻电子断层扫描靶区研究进展。
IF 4.5 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-23 DOI: 10.1016/j.pbiomolbio.2026.01.002
Christopher Eugenio Williem , Viranitasya Stephanie Himawan , Maykel T.E. Manawan , Sun Theo Constan Lotebulo Ndruru , Dicky Annas , Jia Hong Pan , Mega Safithri , I Made Artika , Robertus Wahyu N. Nugroho
Cryogenic electron tomography (cryo-ET) enables in situ structural analysis of macromolecular assemblies within their native cellular environments, spanning more than four orders of magnitude in spatial scale, from micrometre-level cellular context accessed through correlative imaging to near–sub-nanometre resolution achieved through subtomogram averaging (STA). This review summarises recent advances in mapping cellular architecture, encompassing membrane-bound organelles, cytoskeletal networks, adhesion complexes, and discrete cellular subsystems such as cilia and the nuclear pore complex (NPC). We discuss the principal challenges associated with cellular cryo-ET, including specimen thickness and electron transparency limitations, structural heterogeneity, the transient nature of many assemblies, restricted targeting precision, unreliable molecular identification, preparation-induced artefacts, and labelling constraints. Recent strategies developed to address these challenges are reviewed, with particular emphasis on innovations in sample preparation and their integration with cryo-focused ion beam milling (cryo-FIB), cryo-correlative light and electron microscopy (cryo-CLEM), STA, and complementary volume-imaging approaches such as cryo-scanning transmission electron tomography (cryo-STET) and cryo-soft X-ray tomography (cryo-SXT). We further highlight emerging density-based modelling strategies that enable molecular interpretation when sufficient resolution is achieved, as well as two-dimensional (2D) template-matching approaches. Collectively, these developments position cryo-ET as a central framework for interrogating cellular ultrastructure in its native context.
低温电子断层扫描(cryo-ET)能够在其原生细胞环境中对大分子组件进行原位结构分析,在空间尺度上跨越四个数量级,从通过相关成像获得的微米级细胞环境到通过亚层析成像平均(STA)实现的近亚纳米分辨率。本文综述了细胞结构图谱的最新进展,包括膜结合细胞器、细胞骨架网络、粘附复合物和离散的细胞子系统,如纤毛和核孔复合物(NPC)。我们讨论了与细胞冷冻- et相关的主要挑战,包括样品厚度和电子透明度限制、结构异质性、许多组件的瞬态性质、受限的靶向精度、不可靠的分子鉴定、制备诱导的伪影和标记限制。本文回顾了为应对这些挑战而开发的最新策略,特别强调了样品制备方面的创新,以及它们与低温聚焦离子束铣床(cryo-FIB)、低温相关光学和电子显微镜(cryo-CLEM)、STA和互补的体积成像方法(如低温扫描透射电子断层扫描(cryo-STET)和低温软x射线断层扫描(cryo-SXT)的集成。我们进一步强调新兴的基于密度的建模策略,当达到足够的分辨率时,可以进行分子解释,以及二维(2D)模板匹配方法。总的来说,这些发展将冷冻et定位为在其原生环境中询问细胞超微结构的中心框架。
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引用次数: 0
Energy-driven innovations in computational de novo protein engineering 计算从头开始蛋白质工程的能源驱动创新。
IF 4.5 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-20 DOI: 10.1016/j.pbiomolbio.2026.01.005
Kevser Kübra Kırboğa , Ecir Uğur Küçüksille
Energy models play a crucial role in the advancement of computational de novo protein engineering, enabling the design of novel proteins with tailored functionalities. Proteins serve as the foundation of biochemical processes, making their precise engineering essential for applications in biotechnology, medicine, and synthetic biology. Unlike traditional approaches that focus on modifying existing proteins, de novo engineering introduces entirely new constructs, a paradigm shift driven by energy-based strategies that guide protein folding, stability, and functionality through comprehensive simulations of energy landscapes. Computational techniques such as molecular dynamics (MD), thermodynamic integration, and Monte Carlo sampling are fundamental in evaluating designed proteins' stability and dynamic behavior. Widely used tools such as CHARMM, Amber, and Rosetta leverage advanced energy functions to optimize protein structures, facilitating accurate predictions of folding pathways and binding affinities. Additionally, the integration of machine learning (ML) and deep learning (DL) has significantly improved the speed and precision of energy-based modeling, enhancing the design and optimization process. This review systematically analyzes recent studies, provides quantitative benchmarking of major computational platforms, and presents a decision framework for method selection based on accuracy-cost-throughput trade-offs. By integrating classical force fields, quantum mechanical (QM) approaches, and AI-driven predictions with experimental validation, this work outlines a roadmap for advancing therapeutic and industrial protein design through synergistic physics-based and data-driven strategies.
能量模型在计算从头蛋白质工程的进步中起着至关重要的作用,使设计具有定制功能的新蛋白质成为可能。蛋白质作为生物化学过程的基础,使其精确的工程对生物技术、医学和合成生物学的应用至关重要。与专注于修改现有蛋白质的传统方法不同,de novo工程引入了全新的结构,这是一种由基于能量的策略驱动的范式转变,通过对能量景观的全面模拟来指导蛋白质的折叠、稳定性和功能。计算技术,如分子动力学(MD),热力学积分和蒙特卡罗采样是评估设计蛋白质的稳定性和动态行为的基础。CHARMM、Amber和Rosetta等广泛使用的工具利用先进的能量函数来优化蛋白质结构,促进折叠途径和结合亲和力的准确预测。此外,机器学习(ML)和深度学习(DL)的集成显著提高了基于能量的建模的速度和精度,增强了设计和优化过程。本综述系统地分析了最近的研究,提供了主要计算平台的定量基准,并提出了基于准确性-成本-吞吐量权衡的方法选择决策框架。通过将经典力场、量子力学方法和人工智能驱动的预测与实验验证相结合,这项工作概述了通过基于物理和数据驱动的协同策略推进治疗和工业蛋白质设计的路线图。
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引用次数: 0
Modulating bone remodeling through magnetic field: Approach targeting metabolic dysregulation in diabetic osteoporosis 通过磁场调节骨重塑:针对糖尿病骨质疏松症代谢失调的方法。
IF 4.5 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-19 DOI: 10.1016/j.pbiomolbio.2026.01.004
Chunqin Li , Xige Dong , Mengxu Sun , Yuanfen Xie , Beilei Wang , Jiaxin Qin , Na Wang , Huanhuan Lv
Diabetes mellitus, a chronic metabolic disorder associated with high risk of cardiovascular disease, kidney disease, neuropathy and bone disorder, has emerged as a globally epidemic public health issue. Osteoporosis, the most common bone disease in middle-aged and elderly populations, demonstrates a particularly high prevalence in individuals with diabetes mellitus. This correlation underscores the urgent need to develop innovative strategies to improve the quality of life for patients with diabetic osteoporosis. Magnetic field-based physical therapy, a non-invasive therapeutic modality, presents distinct advantages over conventional treatments. Recent advances in biomagnetic research have unveiled novel biological and therapeutic effects of magnetic fields, with accumulating evidence supporting their potential clinical applications in bone-related disorders. This review critically examines the mechanistic links between diabetes mellitus and the deterioration of bone health, the therapeutic effects of both dynamic and static magnetic fields on diabetes-associated complications, with a specific focus on skeletal outcomes, and the prospective applications of magnetic fields intervention for maintaining bone health in diabetes mellitus. Ultimately, this review aims to propose novel therapeutic strategies for managing osteoporosis in diabetes mellitus through magnetic approaches.
糖尿病是一种慢性代谢紊乱,与心血管疾病、肾脏疾病、神经病变和骨骼疾病的高风险相关,已成为一个全球性的流行病公共卫生问题。骨质疏松症是中老年人群中最常见的骨骼疾病,在糖尿病患者中发病率特别高。这种相关性强调了迫切需要制定创新策略来改善糖尿病骨质疏松症患者的生活质量。基于磁场的物理治疗是一种非侵入性的治疗方式,与传统治疗相比具有明显的优势。生物磁学研究的最新进展揭示了磁场的新的生物学和治疗作用,越来越多的证据支持其在骨相关疾病的潜在临床应用。本文综述了糖尿病与骨骼健康恶化之间的机制联系,动态和静态磁场对糖尿病相关并发症的治疗作用,特别关注骨骼结果,以及磁场干预在维持糖尿病患者骨骼健康方面的应用前景。最后,本综述旨在通过磁入路提出新的治疗糖尿病骨质疏松的策略。
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引用次数: 0
Impact of hypoxia-inducible factor 1 in the oncogenic progression of Kaposi's sarcoma-associated herpes virus 低氧诱导因子1在卡波西肉瘤相关疱疹病毒癌性进展中的影响
IF 4.5 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-01-08 DOI: 10.1016/j.pbiomolbio.2026.01.001
Koushik Chakraborty , Monalisha Ghosh , Dristi Majumdar , Tathagata Choudhuri
The development of modern molecular biology helps us to identify the link between Kaposi's sarcoma-associated herpesvirus (KSHV) and multiple human malignancies by infecting B-lymphocyte or endothelial cells. Infection with KSHV plays a crucial role in stabilizing hypoxia-inducible factor-1 (HIF-1) and promoting its transcriptional activity. The association of KSHV and HIF-1 is essential for KSHV latency, reactivation, and associated disease phenotypes. In this review, we have discussed the detailed mechanisms of HIF-1 activation by KSHV infection. Based on the available evidence, we summarize the impact of HIF-1 activation on cellular metabolism, Angiogenesis, and lytic reactivation of KSHV in the proliferation and oncogenic progression of KSHV-infected B-lymphocyte or endothelial cells.
Furthermore, more studies reveal a deeper understanding of the interaction between KSHV and HIF-1. The modulatory impact of HIF-1 on the KSHV life cycle and oncogenic progression require further investigation. To advance this research, clinical trials targeting HIF-1 should commence in the near future.
现代分子生物学的发展帮助我们确定卡波西肉瘤相关疱疹病毒(KSHV)通过感染b淋巴细胞或内皮细胞与多种人类恶性肿瘤之间的联系。KSHV感染在稳定缺氧诱导因子-1 (HIF-1)和促进其转录活性方面起着至关重要的作用。KSHV和HIF-1的关联对于KSHV潜伏期、再激活和相关疾病表型至关重要。在这篇综述中,我们讨论了KSHV感染激活HIF-1的详细机制。基于现有的证据,我们总结了HIF-1激活对KSHV感染的b淋巴细胞或内皮细胞增殖和癌性进展中细胞代谢、血管生成和KSHV裂解再激活的影响。此外,更多的研究揭示了KSHV与HIF-1之间相互作用的更深层次的理解。HIF-1对KSHV生命周期和癌性进展的调节作用有待进一步研究。为了推进这项研究,针对HIF-1的临床试验应该在不久的将来开始。
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引用次数: 0
Unraveling cerebral ultrastructural alterations in TLR4-mediated neuroinflammation via transmission electron microscopy: a systematic preclinical review 通过透射电子显微镜揭示tlr4介导的神经炎症的大脑超微结构改变:一项系统的临床前回顾。
IF 4.5 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-12-23 DOI: 10.1016/j.pbiomolbio.2025.12.006
Eulália Rebeca Silva-Araújo , Raul Manhães-de-Castro , Ana Elisa Toscano , Henrique José Cavalcanti Bezerra Gouveia , Mônica Rodrigues de Sá , Gedeone Bezerra de Almeida Júnior , Assíria Natali da Silva , Eduardo Padrón-Hernández
Ultrastructural alterations in the central nervous system—such as synaptic dysfunction, axonal injury, and demyelination—contribute to the cognitive and sensorimotor deficits observed in neurological damage, in which TLR4-mediated neuroinflammation is a key pathological feature. This systematic review synthesizes evidence from 20 rodent studies employing transmission electron microscopy (TEM) to investigate central ultrastructural alterations induced by neuroinflammation, with a focus on the brain. A search was performed on Embase, PubMed, Scopus, and Web of Science databases. Study quality was assessed using the SYRCLE Risk of Bias tool for in vivo/ex vivo studies and an adapted QUIN tool for in vitro studies. Most studies have modeled neuroinflammation through LPS-infection or toxic insults, which have been implicated in disorders ranging from early brain injury to late-onset neurodegeneration, such as Alzheimer's disease. We observed that ultrastructural alterations originate from changes in glial morphology and function, subsequently affecting intracellular organelles and the extracellular space, thereby compromising cellular metabolism and neural integrity. TEM results show vascularized regions and protective barriers, enriched in glial cells, are particularly susceptible to early ultrastructural impairment. The damage extends to myelin architecture and axonal structure, which exhibit aberrant characteristics. Although the molecular mechanisms of neuroinflammation are well characterized, its ultrastructural consequences remain poorly explored. Elucidating these alterations through TEM studies provides a basis for targeted therapeutic strategies in neuroinflammation-related conditions.
中枢神经系统的超微结构改变,如突触功能障碍、轴突损伤和脱髓鞘,有助于神经损伤中观察到的认知和感觉运动缺陷,其中tlr4介导的神经炎症是一个关键的病理特征。本系统综述综合了来自20个啮齿动物研究的证据,利用透射电子显微镜(TEM)研究神经炎症引起的中枢超微结构改变,重点是大脑。在Embase、PubMed、Scopus和Web of Science数据库上进行了搜索。在体内/离体研究中使用sycle偏倚风险工具评估研究质量,在体外研究中使用经过调整的QUIN工具评估研究质量。大多数研究通过lps感染或毒性损伤来模拟神经炎症,这与从早期脑损伤到迟发性神经变性(如阿尔茨海默病)等疾病有关。我们观察到超微结构的改变源于胶质形态和功能的改变,随后影响细胞内细胞器和细胞外空间,从而损害细胞代谢和神经完整性。透射电镜结果显示,血管化区和保护屏障,丰富的胶质细胞,特别容易受到早期超微结构损伤。损伤扩展到髓鞘结构和轴突结构,表现出异常特征。尽管神经炎症的分子机制已被很好地表征,但其超微结构后果仍未得到充分探讨。通过透射电镜研究阐明这些改变为神经炎症相关疾病的靶向治疗策略提供了基础。
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引用次数: 0
Progress in constitutive modeling of arterial wall tissue mechanics: from theoretical frameworks to clinical application 动脉壁组织力学本构模型的研究进展:从理论框架到临床应用。
IF 4.5 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-12-17 DOI: 10.1016/j.pbiomolbio.2025.12.005
Qian Fan , Dezhong Qi , Qiang Xiao , Xiaoqiang Zhou
Cardiovascular disease (CVD) is a leading cause of mortality worldwide, and the mechanical behavior of arterial wall tissue (AWT) is central to its initiation and progression. This review surveys advances in constitutive models of AWT over the past two decades, with the aim of improving understanding of vascular mechanics and informing clinical practice. Five major computational frameworks are evaluated—elastic, viscoelastic, hyperelastic, structural solid models, and growth and remodeling (G&R) models—which collectively provide insights into stress–strain relationships and mechanobiological interactions under physiological and pathological conditions. Simple elastic formulations cannot capture the intrinsic nonlinearity of AWT. Nonlinear elastic and pseudo-elastic models are better suited for large deformations and anisotropy, especially under cyclic loading. Viscoelastic models effectively represent time-dependent responses to pulsatile blood flow. Structural solid models, including layered anisotropic, equivalent homogeneous, and generalized structure tensor formulations, predict the mechanical behavior of individual wall layers with high fidelity. Extending beyond instantaneous mechanics, G&R models embed these constitutive relations within higher-level frameworks to simulate long-term adaptations to altered hemodynamics, such as hypertension, aneurysm progression, or vascular graft remodeling. Future research should focus on developing dynamic models that more accurately simulate pulsatile loading, refining the characterization of AWT heterogeneity and anisotropy, and establishing multiscale and multi-physics frameworks to connect cellular processes with tissue-level behavior. Integrating big data and machine learning offers additional potential for robust parameter identification and predictive modeling. In conclusion, this review provides a comprehensive evaluation of AWT constitutive modeling, from fundamental elasticity-based approaches to advanced G&R frameworks. By identifying limitations and outlining future directions, it highlights the role of biomechanics in advancing personalized medicine, improving CVD diagnosis and treatment, and promoting deeper understanding of disease mechanisms.
心血管疾病(CVD)是世界范围内死亡的主要原因,动脉壁组织(AWT)的力学行为是其发生和发展的核心。本文综述了过去二十年来AWT本构模型的进展,旨在提高对血管力学的理解并为临床实践提供信息。评估了五种主要的计算框架——弹性、粘弹性、超弹性、结构实体模型以及生长和重塑(G&R)模型——它们共同提供了对生理和病理条件下应力-应变关系和机械生物学相互作用的见解。简单的弹性公式无法捕捉到AWT的内在非线性。非线性弹性和伪弹性模型更适合于大变形和各向异性,特别是在循环加载下。粘弹性模型有效地表示脉动血流的时变响应。结构实体模型,包括层状各向异性、等效均质和广义结构张量公式,可以高保真地预测单个壁层的力学行为。超越瞬时力学,G&R模型将这些本构关系嵌入到更高层次的框架中,以模拟对改变的血流动力学的长期适应,如高血压、动脉瘤进展或血管移植重塑。未来的研究应侧重于开发更准确地模拟脉动载荷的动态模型,完善AWT异质性和各向异性的表征,建立多尺度和多物理框架,将细胞过程与组织水平行为联系起来。集成大数据和机器学习为鲁棒参数识别和预测建模提供了额外的潜力。总之,本综述提供了AWT本构建模的综合评价,从基本的基于弹性的方法到先进的G&R框架。通过识别局限性和概述未来方向,它突出了生物力学在推进个性化医疗,改善心血管疾病诊断和治疗以及促进更深层次理解疾病机制方面的作用。
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Progress in Biophysics & Molecular Biology
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