Structural Insights and Functional Dynamics of β-Lactoglobulin Fibrils.

IF 9.1 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Letters Pub Date : 2025-10-23 DOI:10.1021/acs.nanolett.5c04125

Rebecca Sternke-Hoffmann,David Rhyner,Genki Terashi,Bilal Muhammad Qureshi,Roland Riek,Jason Greenwald,Daisuke Kihara,Viviane Lutz-Bueno,Jinghui Luo

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Abstract

Amyloid fibrils from β-lactoglobulin (β-LG), a major whey protein, have attracted interest for nanotechnology due to their biocompatibility, tunable surface chemistry, and ability to bind functional molecules. They serve as scaffolds for metal nanoparticle synthesis, carriers for bioactive compounds, and building blocks for nanomaterials with tailored mechanical and optical properties. However, their dynamic architecture remains incompletely understood, limiting their rational design. Here, we combine cryo-electron microscopy (cryo-EM), small-angle X-ray scattering (SAXS), and molecular dynamics (MD) simulations to investigate β-LG fibrils formed under mildly denaturing conditions. Cryo-EM reveals a monomeric polymorph with a conserved core (Leu1-Ala34) and a disordered "fuzzy coat". Flexible domains were modeled and evaluated by MD, identifying one stable conformation (Asn90-Thr97). The ionic strength reduced the coat flexibility and promoted iron binding, suggesting environmental responsiveness. These findings link fibril flexibility to functional potential, offering mechanistic insight into engineering β-LG-based nanomaterials.

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β-乳球蛋白原纤维的结构见解和功能动力学。

β-乳球蛋白（β-LG）是一种主要的乳清蛋白，由于其生物相容性、可调节的表面化学和结合功能分子的能力，淀粉样原纤维引起了纳米技术的兴趣。它们可以作为金属纳米颗粒合成的支架，生物活性化合物的载体，以及具有定制机械和光学特性的纳米材料的构建块。然而，它们的动态结构仍然不完全了解，限制了它们的合理设计。在这里，我们结合冷冻电子显微镜（cro - em），小角度x射线散射（SAXS）和分子动力学（MD）模拟来研究在轻度变性条件下形成的β-LG原纤维。Cryo-EM显示了一个具有保守核心（Leu1-Ala34）和无序“模糊被毛”的单体多晶。利用MD对柔性结构域进行建模和评价，确定了一个稳定的构象（Asn90-Thr97）。离子强度降低了涂层的柔韧性，促进了铁的结合，表明环境响应性。这些发现将纤维的柔韧性与功能潜力联系起来，为工程β- l基纳米材料提供了机制见解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nano Letters 工程技术-材料科学：综合

CiteScore

16.80

自引率

2.80%

发文量

1182

审稿时长

1.4 months

期刊介绍： Nano Letters serves as a dynamic platform for promptly disseminating original results in fundamental, applied, and emerging research across all facets of nanoscience and nanotechnology. A pivotal criterion for inclusion within Nano Letters is the convergence of at least two different areas or disciplines, ensuring a rich interdisciplinary scope. The journal is dedicated to fostering exploration in diverse areas, including: - Experimental and theoretical findings on physical, chemical, and biological phenomena at the nanoscale - Synthesis, characterization, and processing of organic, inorganic, polymer, and hybrid nanomaterials through physical, chemical, and biological methodologies - Modeling and simulation of synthetic, assembly, and interaction processes - Realization of integrated nanostructures and nano-engineered devices exhibiting advanced performance - Applications of nanoscale materials in living and environmental systems Nano Letters is committed to advancing and showcasing groundbreaking research that intersects various domains, fostering innovation and collaboration in the ever-evolving field of nanoscience and nanotechnology.