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Applications and latest research progress of liposomes in the treatment of ocular diseases. 脂质体在眼部疾病治疗中的应用及最新研究进展。
IF 1.6 4区 医学 Q4 BIOPHYSICS Pub Date : 2025-01-01 DOI: 10.1116/6.0004159
Huan Tang, Xinnan Li, Lin Jin, Jicheng Dong, Li Yang, Chunmei Li, Lijun Zhang, Fang Cheng

The special structure of eyes and the existence of various physiological barriers make ocular drug delivery one of the most difficult problems in the pharmaceutical field. Considering the problems of patient compliance, local administration remains the preferred method of drug administration in the anterior part of eyes. However, local administration suffers from poor bioavailability, need for frequent administration, and systemic toxicity. Administration in the posterior part of the eye is more difficult, and intravitreal injection is often used. But intravitreal injection faces the problems of poor patient compliance and likely side effects after multiple injections. The development of nanocarrier technology provides an effective way to solve these problems. Among them, liposomes, as the most widely used carrier in clinical application, have the characteristics of amphiphilic nanostructure, easy surface modification, extended release time, good biocompatibility, etc. The liposomes are expected to overcome obstacles and effectively deliver drugs to the target site to improve ocular drug bioavailability. This review summarized the various controllable properties of liposomes for ocular delivery as well as the application and research progress of liposomes in various ocular diseases. In addition, we summarized the physiological barriers and routes of administration contained in eyes, as well as the prospects of liposomes in the treatment of ocular diseases.

由于眼睛的特殊结构和多种生理屏障的存在,使眼部给药成为制药领域的难题之一。考虑到患者的依从性问题,局部给药仍然是眼前部分给药的首选方法。然而,局部给药存在生物利用度差、需要频繁给药和全身毒性等问题。在眼后部给药比较困难,通常采用玻璃体内注射。但玻璃体内注射面临患者依从性差和多次注射后可能产生副作用的问题。纳米载体技术的发展为解决这些问题提供了有效途径。其中,脂质体具有纳米两亲性结构、表面修饰容易、释放时间长、生物相容性好等特点,是临床应用最广泛的载体。脂质体有望克服障碍,有效地将药物输送到靶点,以提高眼部药物的生物利用度。本文综述了脂质体眼部给药的各种可控特性,以及脂质体在各种眼部疾病中的应用和研究进展。此外,我们还综述了脂质体在眼内的生理屏障和给药途径,以及脂质体在眼部疾病治疗中的应用前景。
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引用次数: 0
Interfacial crack self-healing by Sporosarcina pasteurii: From medium optimization to spore encapsulation. 巴氏孢杆菌界面裂缝自愈:从培养基优化到孢子包封。
IF 1.6 4区 医学 Q4 BIOPHYSICS Pub Date : 2024-11-01 DOI: 10.1116/6.0004099
Chenxi Hou, Chu Wang, Ling Zheng, Jie Peng, Tao Yuan, Hui Huang, Xiaolin Lu

Self-healing cement takes advantage of microbial induced carbonate precipitation (MICP), a meritorious biological process, to achieve automatic healing of cement cracks. In this study, two beneficial factors, optimization of the bacteria culture medium and encapsulation of bacterial spores, were used to improve the MICP efficiency of Sporosarcina pasteurii in self-healing cement. On the one hand, in medium optimization, we compared the growth of Sporosarcina pasteurii fed with two generally used nitrogen sources, e.g., urea and ammonium chloride, and found that ammonium chloride can promote biomineralization more efficiently than urea. It was also confirmed that nickel (0.1 mg/l) and manganese ions (10 mg/l) benefit the MICP process through enhancement of urease activity and promotion of spore production. On the other hand, spores encapsulated in sodium alginate-gelatin gel beads prepared by using a flow nozzle device can have excellent swelling performance triggered by water. As an application demonstration, self-healing of cement cracks with consideration of the above beneficial factors was successfully verified without substantial influence on the cement compressive strength.

自愈合水泥利用微生物诱导碳酸盐沉淀(MICP)这一有益的生物过程来实现水泥裂缝的自动愈合。本研究通过优化细菌培养基和细菌孢子的包封两个有利因素来提高巴氏孢弧菌在自愈水泥中的MICP效率。一方面,在培养基优化方面,我们比较了两种常用氮源(尿素和氯化铵)对巴氏孢杆菌生长的影响,发现氯化铵比尿素更能促进生物矿化。镍离子(0.1 mg/l)和锰离子(10 mg/l)通过增强脲酶活性和促进孢子产生而有利于MICP过程。另一方面,采用流动喷嘴装置制备的海藻酸钠-明胶凝胶珠包被孢子,可具有优异的水触发膨胀性能。作为应用示范,成功验证了考虑上述有利因素的水泥裂缝自愈,对水泥抗压强度没有实质性影响。
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引用次数: 0
Molecular-level studies of extracellular matrix proteins conducted using atomic force microscopy. 使用原子力显微镜对细胞外基质蛋白质进行分子水平的研究。
IF 2.1 4区 医学 Q4 BIOPHYSICS Pub Date : 2024-09-01 DOI: 10.1116/6.0003789
Ashley R Walker,Jonathan R Sloneker,Jayne C Garno
Extracellular matrix (ECM) proteins provide anchorage and structural strength to cells and tissues in the body and, thus, are fundamental molecular components for processes of cell proliferation, growth, and function. Atomic force microscopy (AFM) has increasingly become a valuable approach for studying biological molecules such as ECM proteins at the level of individual molecules. Operational modes of AFM can be used to acquire the measurements of the physical, electronic, and mechanical properties of samples, as well as for viewing the intricate details of the surface chemistry of samples. Investigations of the morphology and properties of biomolecules at the nanoscale can be useful for understanding the interactions between ECM proteins and biological molecules such as cells, DNA, and other proteins. Methods for preparing protein samples for AFM studies require only basic steps, such as the immersion of a substrate in a dilute solution or protein, or the deposition of liquid droplets of protein suspensions on a flat, clean surface. Protocols of nanolithography have been used to define the arrangement of proteins for AFM studies. Using AFM, mechanical and force measurements with tips that are coated with ECM proteins can be captured in ambient or aqueous environments. In this review, representative examples of AFM studies are described for molecular-level investigations of the structure, surface assembly, protein-cell interactions, and mechanical properties of ECM proteins (collagen, elastin, fibronectin, and laminin). Methods used for sample preparation as well as characterization with modes of AFM will be discussed.
细胞外基质(ECM)蛋白为人体细胞和组织提供锚定和结构强度,因此是细胞增殖、生长和功能过程的基本分子成分。原子力显微镜(AFM)已逐渐成为在单个分子水平上研究 ECM 蛋白等生物分子的重要方法。原子力显微镜的操作模式可用于测量样品的物理、电子和机械特性,以及观察样品表面化学的复杂细节。在纳米尺度上研究生物分子的形态和特性有助于了解 ECM 蛋白质与生物分子(如细胞、DNA 和其他蛋白质)之间的相互作用。制备用于原子力显微镜研究的蛋白质样品的方法只需一些基本步骤,例如将基底浸入稀释溶液或蛋白质中,或将蛋白质悬浮液的液滴沉积在平坦、洁净的表面上。纳米光刻技术已被用于确定原子力显微镜研究中蛋白质的排列。利用原子力显微镜,可以在环境或水环境中使用涂有 ECM 蛋白质的针尖进行机械和力测量。本综述介绍了 AFM 研究的代表性实例,这些实例用于分子水平研究 ECM 蛋白质(胶原蛋白、弹性蛋白、纤连蛋白和层粘连蛋白)的结构、表面组装、蛋白质-细胞相互作用和机械性能。此外,还将讨论样品制备方法以及使用原子力显微镜进行表征的模式。
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引用次数: 0
Influence of metal oxides on biocompatibility of additively manufactured NiTi. 金属氧化物对加成制造镍钛生物相容性的影响
IF 1.6 4区 医学 Q4 BIOPHYSICS Pub Date : 2024-09-01 DOI: 10.1116/6.0003665
Maria P Kwesiga, Roger J Guillory, Ali Gökhan Demir

In order to properly satisfy biomedical constraints for cardiovascular applications, additively manufactured NiTi scaffolds required further process and metallurgical engineering. Additively manufactured NiTi materials for cardiovascular use will have to undergo surface finishing in order to minimize negative surface interactions within the artery. In this study, we sought to understand biocompatibility from chemically etched additively manufactured NiTi scaffolds by laser powder bed fusion (LPBF). Although two distinct oxide films were created in the surface etching process (labeled CP-A and CP-B), no qualitative changes in microroughness were seen between the two conditions. CP-A possessed significantly less Ni at the surface (0.19 at. %) than the CP-B group (3.30 at. %), via x-ray photoelectron spectroscopy, alongside a concomitant shift in the O1 s peak presentation alluding to a greater formation of a Ni based oxide in the CP-B group. Our live dead staining revealed significant toxicity and reduced cellular attachment for the CP-B group, in addition to inducing more cell lysis (20.9 ± 5.1%), which was significantly increased when compared to CP-A (P < 0.01). Future practices of manufacturing NiTi scaffolds using LPBF should focus on producing surface films that are not only smooth, but free of cytotoxic Ni based oxides.

为了适当满足心血管应用的生物医学限制,快速成型镍钛支架需要进一步的工艺和冶金工程。用于心血管的添加制造镍钛材料必须经过表面处理,以尽量减少动脉内的负表面相互作用。在这项研究中,我们试图通过激光粉末床熔融(LPBF)了解化学蚀刻加成法制造的镍钛支架的生物相容性。虽然在表面蚀刻过程中产生了两种不同的氧化膜(CP-A 和 CP-B),但两种条件下的微观粗糙度没有质的变化。通过 X 射线光电子能谱,CP-A 组的表面镍含量(0.19%)明显低于 CP-B 组(3.30%),同时 O1 s 峰也发生了移动,这表明 CP-B 组形成了更多的镍基氧化物。我们的活死细胞染色结果表明,CP-B 组具有明显的毒性,细胞附着力降低,此外还诱导了更多的细胞裂解(20.9 ± 5.1%),与 CP-A 组相比,细胞裂解率显著增加(P.
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引用次数: 0
Studying microbially induced corrosion on glass using ToF-SIMS. 利用 ToF-SIMS 研究微生物诱发的玻璃腐蚀。
IF 1.6 4区 医学 Q4 BIOPHYSICS Pub Date : 2024-09-01 DOI: 10.1116/6.0003883
Gabriel D Parker, Andrew Plymale, Jacqueline Hager, Luke Hanley, Xiao-Ying Yu

Microbially induced corrosion (MIC) is an emerging topic that has huge environmental impacts, such as long-term evaluation of microbial interactions with radioactive waste glass, environmental cleanup and disposal of radioactive material, and weathering effects of microbes. Time-of-flight secondary ion mass spectrometry (ToF-SIMS), a powerful mass spectral imaging technique with high surface sensitivity, mass resolution, and mass accuracy, can be used to study biofilm effects on different substrates. Understanding how to prepare biofilms on MIC susceptible substrates is critical for proper analysis via ToF-SIMS. We present here a step-by-step protocol for preparing bacterial biofilms for ToF-SIMS analysis, comparing three biofilm preparation techniques: no desalination, centrifugal spinning (CS), and water submersion (WS). Comparisons of two desalinating methods, CS and WS, show a decrease in the media peaks up to 99% using CS and 55% using WS, respectively. Proper desalination methods also can increase biological signals by over four times for fatty acids using WS, for example. ToF-SIMS spectral results show chemical compositional changes of the glass exposed in a Paenibacillus polymyxa SCE2 biofilm, indicating its capability to probe microbiologically induced corrosion of solid surfaces. This represents the proper desalination technique to use without significantly altering biofilm structure and substrate for ToF-SIMS analysis. ToF-SIMS spectral results showed chemical compositional changes of the glass exposed by a Paenibacillus bacterial biofilm over 3-month inoculation. Possible MIC products include various phosphate phase molecules not observed in any control samples with the highest percent increases when experimental samples were compared with biofilm control samples.

微生物诱导腐蚀(MIC)是一个新兴课题,对环境有巨大影响,例如微生物与放射性废玻璃相互作用的长期评估、放射性物质的环境清理和处置以及微生物的风化效应。飞行时间二次离子质谱(ToF-SIMS)是一种强大的质谱成像技术,具有高表面灵敏度、质量分辨率和质量精度,可用于研究生物膜对不同基质的影响。了解如何在 MIC 易感基底上制备生物膜对于通过 ToF-SIMS 进行正确分析至关重要。我们在此介绍了用于 ToF-SIMS 分析的细菌生物膜制备步骤,并比较了三种生物膜制备技术:不脱盐、离心旋转 (CS) 和水浸 (WS)。CS 和 WS 两种脱盐方法的比较结果表明,使用 CS 和 WS,介质峰值分别降低了 99% 和 55%。适当的脱盐方法还能将脂肪酸等生物信号提高四倍以上。ToF-SIMS 光谱结果显示了暴露在 Paenibacillus polymyxa SCE2 生物膜中的玻璃的化学成分变化,表明它能够探测微生物引起的固体表面腐蚀。这代表了在不显著改变生物膜结构和 ToF-SIMS 分析基质的情况下使用的适当脱盐技术。ToF-SIMS 光谱结果显示,在 3 个月的接种过程中,Paenibacillus 细菌生物膜暴露的玻璃发生了化学成分变化。可能的 MIC 产物包括各种磷酸盐相分子,这些分子在任何对照样品中都未观察到,当实验样品与生物膜对照样品进行比较时,其增加百分比最高。
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引用次数: 0
Phenomenological investigation of organic modified cements as biocompatible substrates interfacing model marine organisms. 有机改性水泥作为生物相容性基质与海洋模式生物界面的现象学研究。
IF 1.6 4区 医学 Q4 BIOPHYSICS Pub Date : 2024-09-01 DOI: 10.1116/6.0003811
Jinglun Zhao, Tao Yuan, Hui Huang, Xiaolin Lu

Organic modification can generally endow inorganic materials with novel and promotional characteristics to fit into new functionalities. In this paper, new cement-based composite materials, with Portland cement as the substrate and polyacrylamide (PAM, alone) and PAM/chitosan as the functional components mixed with cement (bulk modified) or served as the surface coating (surface modified), were prepared and engineered as sampling substrates for biofilm and coral co-culture. In comparison to the bulk modified substrate and pure cement material, the surface modified substrate showed a balanced mechanical property, considering both bending and compressive strengths and distinctive surface features toward facilitating biofilm and coral growth, as characterized by spectroscopic, morphological, mechanical, and biofilm and coral co-culture experiments. We, thus, believe that the as-prepared surface modified substrate has the very potential to be applied as a substitute/alternative for the conventional cement material in the construction and engineering of artificial facilities with ecological protection functions.

有机改性通常可以赋予无机材料新颖和促进性的特性,使其具有新的功能。本文制备了新型水泥基复合材料,以硅酸盐水泥为基材,聚丙烯酰胺(PAM,单独使用)和聚丙烯酰胺/壳聚糖为功能成分,与水泥混合(块状改性)或作为表面涂层(表面改性),作为生物膜和珊瑚共培养的取样基材。通过光谱、形态、力学以及生物膜和珊瑚共培养实验,与块状改性基底和纯水泥材料相比,表面改性基底具有均衡的力学性能,既考虑了抗弯强度和抗压强度,又具有独特的表面特征,有利于生物膜和珊瑚的生长。因此,我们认为,制备的表面改性基材非常有潜力在具有生态保护功能的人工设施的建设和工程中用作传统水泥材料的替代品。
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引用次数: 0
Role of adhesion in the mechanics of pathogenic Listeria monocytogenes EGDe as a function of the pH of growth. 粘附力在致病性李斯特菌 EGDe 的力学中的作用与生长 pH 值的函数关系。
IF 1.6 4区 医学 Q4 BIOPHYSICS Pub Date : 2024-09-01 DOI: 10.1116/6.0003840
Asma Eskhan, Nehal I Abu-Lail

Atomic force microscopy was utilized to estimate the adhesion strengths to silicon nitride as well as the cellular elasticities of pathogenic Listeria monocytogenes EGDe cells cultured in media adjusted to five different pH conditions of growth (5, 6, 7, 8, and 9) under water with 0.0027 fixed ionic strength. Particularly, the role of adhesion on the bacterial elastic properties was investigated. The nonadhesive Hertz model of contact mechanics was used to extract Young's moduli of elasticity of bacterial cells from the approach force-indentation data. Additionally, the adhesive models of contact mechanics: Johnson-Kendall-Roberts (JKR) and Derjaguin-Muller-Toporov (DMT) were used to estimate Young's moduli of elasticity of bacterial cells from the retraction force-indentation data. Our results indicated that adhesion to silicon nitride was the highest for cells cultured at a pH of 7. Similarly, bacterial cells cultured at pH 7 were characterized by the highest Young's moduli of elasticities compared to the lower or higher pH conditions of growth. Young's moduli of elasticities estimated from the Hertz model were stiffer than those estimated using JKR or DMT models. As the adhesion between bacterial cells and indenters increased, the difference between the Hertz model and JKR or DMT models estimates of Young's moduli of elasticity increased as well. Contradicting the current norm of using the Hertz model to quantify bacterial elasticity in the literature, our results highlight the extreme importance of utilizing contact mechanics models with adhesion components in them such as the JKR and DMT models to estimate bacterial elasticity.

利用原子力显微镜估算了致病性李斯特菌 EGDe 细胞在氮化硅上的粘附强度以及细胞弹性,这些细胞是在调整为五种不同 pH 值的培养基(5、6、7、8 和 9)中,在固定离子强度为 0.0027 的水中生长的。特别是研究了粘附对细菌弹性特性的作用。使用非粘附性赫兹接触力学模型从力压痕数据中提取细菌细胞的杨氏弹性模量。此外,还采用了粘附接触力学模型:约翰逊-肯德尔-罗伯茨(JKR)和德雅金-穆勒-托波洛夫(DMT)被用来从回缩力-压痕数据中估算细菌细胞的杨氏弹性模量。我们的结果表明,在 pH 值为 7 时培养的细胞对氮化硅的粘附力最大。同样,与较低或较高 pH 值的生长条件相比,在 pH 值为 7 时培养的细菌细胞的杨氏弹性模量最大。用赫兹模型估算的杨氏弹性模量比用 JKR 或 DMT 模型估算的杨氏弹性模量更硬。随着细菌细胞与压头之间粘附力的增加,赫兹模型与 JKR 或 DMT 模型估计的杨氏弹性模量之间的差异也随之增大。与目前文献中使用赫兹模型量化细菌弹性的做法相反,我们的研究结果凸显了利用含有粘附成分的接触力学模型(如 JKR 和 DMT 模型)来估算细菌弹性的极端重要性。
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引用次数: 0
Preparation and activity evaluation of zinc ion delivery system based on fucoidan-zinc complex. 基于褐藻素-锌复合物的锌离子输送系统的制备与活性评估
IF 1.6 4区 医学 Q4 BIOPHYSICS Pub Date : 2024-09-01 DOI: 10.1116/6.0003995
Zhongxiang Zhou, Yu Ding, Rui Cai, Changxu Ning, Jiangye Zhang, Xiuhan Guo

Zinc is a critical trace element in the human body, playing a key role in regulating various protein functions and cellular metabolism. Thus, maintaining zinc homeostasis is essential for human health, as zinc deficiency can directly contribute to the onset of numerous diseases. Effective supplementation with zinc ions offers a viable treatment for zinc deficiency. Polysaccharides, particularly natural polysaccharides, exhibit extensive physiological activities and serve as efficient systems for delivering zinc ions. Fucoidan (F) is an affordable, widely available polysaccharide with significant bioactivity and safety, attracting growing research interest. However, most studies focus on its physiological functions, while few explore the structure and effects of fucoidan-metal complexes. In this study, fucoidan (F) was chosen to complex with Zn2+ to form the fucoidan-zinc (F-Zn) complex, whose structure was characterized. The zinc ion content reached 9.15%, with zinc (II) predominantly complexed with sulfate groups in the F-Zn (II) complex. Evaluation demonstrated that the prepared fucoidan-zinc system, at a concentration of 110 μg/ml, exhibited no significant cytotoxicity toward HT22 cells. Furthermore, both F and F-Zn exhibited significant neuroprotective effects in an HT22 cell model induced by cisplatin. Additional investigations revealed that F and F-Zn could mitigate cisplatin-induced increases in reactive oxygen species levels and alleviate mitochondrial damage. The fucoidan-zinc complex presents itself as a promising zinc ion delivery system for treating zinc deficiency.

锌是人体内的一种重要微量元素,在调节各种蛋白质功能和细胞新陈代谢方面发挥着关键作用。因此,维持锌的平衡对人体健康至关重要,因为缺锌会直接导致多种疾病的发生。有效补充锌离子是治疗锌缺乏症的可行方法。多糖,尤其是天然多糖,具有广泛的生理活性,是输送锌离子的有效系统。褐藻糖胶(F)是一种价格低廉、来源广泛的多糖,具有显著的生物活性和安全性,吸引了越来越多的研究兴趣。然而,大多数研究都集中在其生理功能上,很少有人探讨褐藻糖胶-金属复合物的结构和作用。本研究选择褐藻糖胶(F)与 Zn2+ 复合物形成褐藻糖胶-锌(F-Zn)复合物,并对其结构进行了表征。锌离子含量达到 9.15%,在 F-Zn (II) 复合物中,锌 (II) 主要与硫酸基团络合。评估表明,制备的褐藻糖胶-锌系统在 110 μg/ml 的浓度下,对 HT22 细胞没有明显的细胞毒性。此外,在顺铂诱导的 HT22 细胞模型中,褐藻糖胶和褐藻糖胶锌都表现出明显的神经保护作用。其他研究还发现,褐藻糖胶和褐藻酸锌可以缓解顺铂诱导的活性氧水平升高,减轻线粒体损伤。褐藻糖胶-锌复合物是治疗锌缺乏症的一种很有前景的锌离子输送系统。
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引用次数: 0
Adsorption of cytochrome c on different self-assembled monolayers: The role of surface chemistry and charge density. 细胞色素 c 在不同自组装单层上的吸附:表面化学和电荷密度的作用
IF 1.6 4区 医学 Q4 BIOPHYSICS Pub Date : 2024-09-01 DOI: 10.1116/6.0003986
Shengjiang Yang, Chunwang Peng, Jie Liu, Hai Yu, Zhiyong Xu, Yun Xie, Jian Zhou

In this work, the adsorption behavior of cytochrome c (Cyt-c) on five different self-assembled monolayers (SAMs) (i.e., CH3-SAM, OH-SAM, NH2-SAM, COOH-SAM, and OSO3--SAM) was studied by combined parallel tempering Monte Carlo and molecular dynamics simulations. The results show that Cyt-c binds to the CH3-SAM through a hydrophobic patch (especially Ile81) and undergoes a slight reorientation, while the adsorption on the OH-SAM is relatively weak. Cyt-c cannot stably bind to the lower surface charge density (SCD, 7% protonation) NH2-SAM even under a relatively high ionic strength condition, while a higher SCD of 25% protonation promotes Cyt-c adsorption on the NH2-SAM. The preferred adsorption orientations of Cyt-c on the negatively-charged surfaces are very similar, regardless of the surface chemistry and the SCD. As the SCD increases, more counterions are attracted to the charged surfaces, forming distinct counterion layers. The secondary structure of Cyt-c is well kept when adsorbed on these SAMs except the OSO3--SAM surface. The deactivation of redox properties for Cyt-c adsorbed on the highly negatively-charged surface is due to the confinement of heme reorientation and the farther position of the central iron to the surfaces, as well as the relatively larger conformation change of Cyt-c adsorbed on the OSO3--SAM surface. This work may provide insightful guidance for the design of Cyt-c-based bioelectronic devices and controlled enzyme immobilization.

本研究采用平行调温蒙特卡洛和分子动力学模拟相结合的方法,研究了细胞色素c(Cyt-c)在五种不同的自组装单层(SAM)(即CH3-SAM、OH-SAM、NH2-SAM、COOH-SAM和OSO3--SAM)上的吸附行为。结果表明,Cyt-c 通过疏水斑块(尤其是 Ile81)与 CH3-SAM 结合,并发生轻微的重新定向,而对 OH-SAM 的吸附相对较弱。即使在离子强度相对较高的条件下,Cyt-c 也不能与表面电荷密度(SCD,质子化率为 7%)较低的 NH2-SAM 稳定结合,而质子化率为 25% 的较高 SCD 会促进 Cyt-c 在 NH2-SAM 上的吸附。无论表面化学性质和 SCD 如何,Cyt-c 在负电荷表面上的首选吸附方向都非常相似。随着 SCD 的增加,更多的反离子被吸引到带电表面,形成不同的反离子层。除 OSO3--SAM 表面外,Cyt-c 吸附在这些 SAM 上时,其二级结构保持良好。吸附在高负电荷表面上的 Cyt-c 的氧化还原特性失活是由于血红素重新定向的限制和中心铁与表面的距离较远,以及吸附在 OSO3--SAM 表面上的 Cyt-c 的构象变化相对较大。这项工作可为设计基于 Cyt-c 的生物电子器件和可控酶固定化提供有价值的指导。
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引用次数: 0
Adsorption of Staphylococcus aureus biofilm associated compounds on silica probed with molecular dynamics simulations. 利用分子动力学模拟探测金黄色葡萄球菌生物膜相关化合物在二氧化硅上的吸附。
IF 1.6 4区 医学 Q4 BIOPHYSICS Pub Date : 2024-09-01 DOI: 10.1116/6.0003870
Kelly M Lee, Vance W Jaeger

Staphylococcus aureus (S. aureus) is a potentially pathogenic bacterium that commonly colonizes surfaces through the formation of biofilms. Silica glass is a common material in the built environment, especially in laboratory and medical spaces. The chemical and physical mechanisms by which S. aureus initially adheres to surfaces are unclear. In this study, the adsorption of several S. aureus biofilm associated compounds on silica is probed using molecular dynamics simulations. Model compounds containing a phosphorylated backbone, N-acetylglucosamine (GlcNAc), or D-alanine (D-Ala) were simulated across a range of pH. GlcNAc adsorption is unfavorable and insensitive to pH. D-Ala adsorption is unfavorable across the range of tested pH. Phosphorylated backbone adsorption is unfavorable at low pH but favorable at high pH. Adsorbate titration and solution salt concentration were probed to establish effects of molecular charge and charge screening. Hydrogen bonding between compounds and the silica surface is a key factor for stronger adsorption. The findings of this study are important for the rational design of improved silica surfaces through chemical functionalization or through the application of optimal chemical disinfectants that discourage the initial stages of biofilm growth.

金黄色葡萄球菌(S. aureus)是一种潜在的致病细菌,通常通过形成生物膜定植于物体表面。硅玻璃是建筑环境中的一种常见材料,尤其是在实验室和医疗场所。金黄色葡萄球菌最初附着在物体表面的化学和物理机制尚不清楚。在本研究中,我们利用分子动力学模拟探究了几种金黄色葡萄球菌生物膜相关化合物在二氧化硅上的吸附情况。模拟了含有磷酸化骨架、N-乙酰葡糖胺(GlcNAc)或 D-丙氨酸(D-Ala)的模型化合物在一定 pH 值范围内的吸附情况。GlcNAc 吸附不利,对 pH 值不敏感。在测试的 pH 值范围内,D-Ala 的吸附都是不利的。磷酸化骨架吸附在低 pH 值时不利,但在高 pH 值时有利。对吸附剂滴定和溶液盐浓度进行了探测,以确定分子电荷和电荷筛选的影响。化合物与二氧化硅表面之间的氢键是增强吸附力的关键因素。这项研究的发现对于通过化学功能化合理设计改进的二氧化硅表面或通过应用最佳化学消毒剂阻止生物膜生长的初始阶段非常重要。
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引用次数: 0
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Biointerphases
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