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Microstructure and corrosion resistance of AZ91- Hydroxyapatite composites processed via deformation-driven metallurgy 变形驱动冶金AZ91-羟基磷灰石复合材料的显微组织和耐蚀性。
IF 4.5 3区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2025-10-13 DOI: 10.1007/s10856-025-06942-y
Kimia Jamshidi, Roohollah Jamaati, Hamed Jamshidi Aval

This study explores the microstructural evolution, mechanical properties, and corrosion behavior of AZ91 composites reinforced with hydroxyapatite (HA) particles, processed at varying rotational speeds (600, 1000, and 1400 rpm) using a deformation-driven metallurgy process. Microstructural analysis revealed that plastic deformation and heat generation during processing resulted in complete bonding between AZ91 powder particles and reinforcements, forming a fine equiaxed microstructure through dynamic recrystallization. The average grain size increased with rotational speed, measuring 54.2 ± 1.3 µm, 67.1 ± 1.5 µm, and 74.5 ± 1.9 µm for samples processed at 600, 1000, and 1400 rpm, respectively, highlighting the dominant role of temperature in grain growth. Mechanical testing demonstrated a decreasing trend in hardness and tensile strength with increasing rotational speed. The hardness dropped from 85.2 ± 2.9 HV0.1 at 600 rpm to 71.2 ± 6.8 HV0.1 at 1400 rpm, while ultimate tensile strength declined from 334.2 ± 6.3 MPa to 265.3 ± 4.9 MPa. Corrosion resistance was significantly influenced by processing parameters. The lowest corrosion current density (40.901 µA/cm2) and highest polarization resistance (Rp = 239.996 Ω·cm2) were observed in samples processed at 600 rpm, demonstrating enhanced corrosion resistance due to finer grains and uniform HA dispersion. In contrast, at 1400 rpm, increased grain size and uneven HA distribution contributed to a higher corrosion rate and reduced Rp (186.194 Ω·cm2).

本研究探讨了羟基磷灰石(HA)颗粒增强AZ91复合材料的显微组织演变、力学性能和腐蚀行为,并使用变形驱动的冶金工艺在不同转速(600、1000和1400 rpm)下进行加工。显微组织分析表明,加工过程中的塑性变形和热的产生使AZ91粉末颗粒与增强材料完全结合,通过动态再结晶形成精细的等轴组织。转速为600、1000和1400 rpm时,晶粒的平均尺寸分别为54.2±1.3µm、67.1±1.5µm和74.5±1.9µm,表明温度对晶粒的生长起主导作用。力学试验表明,随着转速的增加,硬度和抗拉强度呈下降趋势。硬度从600 rpm时的85.2±2.9 HV0.1下降到1400 rpm时的71.2±6.8 HV0.1,极限抗拉强度从334.2±6.3 MPa下降到265.3±4.9 MPa。其耐蚀性受工艺参数的影响较大。在600 rpm转速下加工的样品具有最低的腐蚀电流密度(40.901µA/cm2)和最高的极化电阻(Rp = 239.996 Ω·cm2),由于颗粒更细,HA分散均匀,其耐腐蚀性增强。相比之下,在1400 rpm时,晶粒尺寸增大和HA分布不均匀导致腐蚀速率加快,Rp降低(186.194 Ω·cm2)。
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引用次数: 0
Fabrication of carbon quantum dots nanoparticles: unveiling the potential effects of synergic chemo-photothermal therapy in gastric cancer cells 纳米碳量子点的制备:揭示化学-光热协同治疗胃癌细胞的潜在作用。
IF 4.5 3区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2025-10-13 DOI: 10.1007/s10856-025-06941-z
Jing Zhang, Dongdong Gao, Shen Zhu, Hao Chen

Chemotherapy and photothermal therapy have demonstrated significant promise in the treatment of gastric cancer. A stable, effective, and safe photothermal agent is needed in this synergic system. Here, carbon quantum dots (CDs), an efficient photothermal agent, were first developed. By encapsulating CDs and the gastric cancer drug camptothecin (CT) in liposomes (Lip), a folic acid (FA)-targeted multifunctional photothermal nanosystem was rationally developed. To augment the photothermal performance and accelerate liposome cleavage for drug release, a NIR photothermal agent, indocyanine green (IG), was incorporated into the bilayer membranes. This built photothermal multifunctional nanosystem was triggered by an NIR laser and demonstrated payload-controlled release, in addition to exceptional performance with a photothermal conversion efficacy of up to 46.97%. The multifunctional photothermal nanosystem demonstrated superior cytocompatibility, stimuli-responsive drug release, improved tumor-specific targeting, and efficient cell death of NCI-N87 gastric cancer cells through multimodal synergic treatment. The effective development of this NIR-triggered, cell-targeted, photothermal, multifunctional nanosystem would enhance the therapeutic efficiency of gastric cancer therapy and offer a potential approach for designing and developing synergistic chemo-photothermal combination therapies.

化疗和光热疗法在胃癌的治疗中已显示出显著的前景。在这个协同系统中需要一种稳定、有效、安全的光热剂。在这里,碳量子点(CDs),一种高效的光热剂,首次开发。通过脂质体(Lip)包封CDs和胃癌药物喜树碱(CT),合理构建了叶酸靶向多功能光热纳米体系。为了提高脂质体的光热性能,加速脂质体的裂解以释放药物,在双层膜中加入了近红外光热剂吲哚菁绿(IG)。该构建的光热多功能纳米系统由近红外激光触发,并证明了有效载荷控制释放,此外还具有高达46.97%的光热转换效率。该多功能光热纳米系统通过多模式协同治疗显示出优越的细胞相容性、刺激反应性药物释放、改善肿瘤特异性靶向和NCI-N87胃癌细胞的高效细胞死亡。这种nir触发、细胞靶向、光热、多功能纳米系统的有效开发将提高胃癌的治疗效率,并为设计和开发协同化疗-光热联合疗法提供潜在的途径。
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引用次数: 0
Evaluation of a self-gripping slowly resorbable mesh for ventral hernia repair: in vitro degradation and in vivo biocompatibility in a rabbit model 自夹持缓慢可吸收补片用于腹疝修补的评估:兔模型的体外降解和体内生物相容性。
IF 4.5 3区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2025-10-13 DOI: 10.1007/s10856-025-06940-0
E. Payet, A. Radlovic, R. Vestberg, C. Beausseron-Valentin, Y. Bayon, L. Bouré

This study evaluates a new self-gripping, slowly resorbable mesh (SRM) for ventral hernia repair, focusing on its in vitro degradation and in vivo biocompatibility in a rabbit model. Traditional ventral hernia repair methods often use permanent synthetic meshes, which can have limitations. Slowly resorbable synthetic meshes, such as the SRM, offer a promising alternative by providing temporary support and gradually degrading to be replaced by the body’s own tissue. The SRM, made from a poly(L-lactide) and trimethylene carbonate copolymer, was tested for its mechanical properties and degradation behavior. In vitro degradation was assessed according to ISO 13781:2017, while in vivo biocompatibility was evaluated following ISO 10993-6 guidelines. The study included native and pre-degraded samples implanted in New Zealand White rabbits, with assessments at 4, 10-, 26-, 52-, and 78-week post-implantation. Results showed that the SRM provided mechanical support for at least 20 weeks, with favorable integration and biocompatibility. The in vitro degradation profile indicated a steady decline in molecular weight, while in vivo studies revealed controlled degradation and minimal inflammatory response. Comparative analysis with the commercially available TIGr® Matrix Surgical Mesh demonstrated that the SRM had similar or better performance in terms of tissue response and degradation. The preclinical results of SRM, combined with the findings from this ISO 10993 Part 6 standard study, provide important data for market approval filings and the initiation of clinical evaluations.

本研究评估了一种用于腹疝修复的新型自抓取、缓慢可吸收补片(SRM),重点研究了其在兔模型中的体外降解和体内生物相容性。传统的腹疝修补方法多采用永久性合成补片,存在一定的局限性。缓慢可吸收的合成网,如SRM,提供了一个很有前途的替代方案,它提供了暂时的支持,并逐渐降解,被人体自身的组织所取代。SRM由聚l -丙交酯和碳酸三亚甲基共聚物制成,对其机械性能和降解行为进行了测试。体外降解按照ISO 13781:2017进行评估,体内生物相容性按照ISO 10993-6指南进行评估。该研究包括将原生和预降解的样品植入新西兰大白兔体内,并在植入后4、10、26、52和78周进行评估。结果表明,SRM可提供至少20周的机械支持,具有良好的整合性和生物相容性。体外降解谱显示分子量稳步下降,而体内研究显示降解可控,炎症反应最小。与市售的TIGr®Matrix Surgical Mesh进行比较分析表明,SRM在组织反应和降解方面具有相似或更好的性能。SRM的临床前结果与ISO 10993第6部分标准研究的结果相结合,为市场批准申请和临床评估的启动提供了重要数据。
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引用次数: 0
Nanocomposite hydrogel incorporating Arnica montana extract, propolis-loaded chitosan nanoparticles, and menstrual blood-derived mesenchymal stem cells for allergic rhinitis therapy 含有山金车提取物、蜂胶负载壳聚糖纳米颗粒和经血来源间充质干细胞的纳米复合水凝胶用于变应性鼻炎治疗。
IF 4.5 3区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2025-10-13 DOI: 10.1007/s10856-025-06939-7
Kun Liang, Bo Zhao, Jun Wang, Xin Wang, Xuli Zhu, Saeed Rohani, Zhibin Li, Ben Ye

Allergic rhinitis (AR) is a common inflammatory condition requiring innovative therapeutic approaches. This study introduces a nanocomposite hydrogel system combining Arnica montana extract and propolis-loaded chitosan nanoparticles (AMEPROCNPs) with menstrual blood-derived mesenchymal stem cells (MenSCs), designed for sustained delivery and enhanced mucosal healing. The system demonstrated biocompatibility, effective drug release, and strong mucoadhesion. In vitro studies showed marked reductions in pro-inflammatory cytokines, including IL-6, IL-1β, and TNF-α, alongside significant cytoprotection against oxidative stress. In vivo, the optimized formulation (HYDROMenSC-CNP-8) substantially alleviated AR symptoms and significantly downregulated key Th2-associated cytokines (IL-4, IL-5, IL-13) and TNF-α, while upregulating IFN-γ levels, comparable to Fluticasone Propionate. These results suggest that the AMEPROCNPs-loaded MenSC-collagen hydrogel represents a promising, safe, and effective alternative to current AR therapies. Furthermore, this system holds potential for broader application in treating other inflammatory and allergic diseases.

过敏性鼻炎(AR)是一种常见的炎症性疾病,需要创新的治疗方法。本研究介绍了一种纳米复合水凝胶系统,该系统将山金车提取物和蜂胶负载壳聚糖纳米颗粒(AMEPROCNPs)与经血来源的间充质干细胞(MenSCs)结合在一起,旨在持续递送和促进粘膜愈合。该系统具有良好的生物相容性、药物释放效果和较强的黏附性。体外研究显示,促炎细胞因子(包括IL-6、IL-1β和TNF-α)显著减少,同时对氧化应激具有显著的细胞保护作用。在体内,优化后的制剂(HYDROMenSC-CNP-8)显著缓解AR症状,并显著下调关键th2相关细胞因子(IL-4、IL-5、IL-13)和TNF-α,同时上调IFN-γ水平,与丙酸氟替卡松相当。这些结果表明,装载ameprocnps的mensc -胶原水凝胶是目前AR治疗的一种有前景、安全、有效的替代方案。此外,该系统在治疗其他炎症和过敏性疾病方面具有更广泛的应用潜力。
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引用次数: 0
“Advancing cardiac patch viability and functionality: innovations in scaffold design and cellular optimization” 推进心脏贴片的生存能力和功能:支架设计和细胞优化的创新
IF 4.5 3区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2025-10-11 DOI: 10.1007/s10856-025-06923-1
Ahmed Eliwa, M. K. G. Abbas, Maryam Al-Ejji

Cardiac patches represent a groundbreaking approach in the treatment of heart disease, offering a new hope for patients with damaged heart tissue following a myocardial infarction (MI). These engineered patches not only provide essential structural support to weakened heart tissue but also actively promote regeneration by recreating a functional, contractile environment. However, achieving long-term success with cardiac patches requires innovative strategies to address the complexities of the cardiac environment. This review addresses the significant challenge of maintaining cell viability and functionality in the large-scale production of cardiac patches. It aims to advance the effectiveness of cardiac patches for clinical applications in treating heart diseases through various methods, including the incorporation of conductive materials and the use of biocompatible scaffold materials to mimic native cardiac tissue. Strategies to promote vascularization, optimize cell sources, and refine cell culture conditions are also discussed. Additionally, controlled release systems for growth factors, surface modification techniques, and mechanical conditioning during in vitro culture are highlighted as crucial aspects of patch fabrication.

Graphical Abstract

心脏贴片是治疗心脏病的一种突破性方法,为心肌梗死(MI)后心脏组织受损的患者带来了新的希望。这些工程补丁不仅为衰弱的心脏组织提供必要的结构支持,而且通过重建功能,收缩环境积极促进再生。然而,实现心脏贴片的长期成功需要创新的策略来解决心脏环境的复杂性。本文综述了在心脏补片的大规模生产中维持细胞活力和功能的重大挑战。目的是通过多种方法,包括结合导电材料和使用生物相容性支架材料来模拟天然心脏组织,提高心脏贴片在临床治疗心脏病方面的有效性。还讨论了促进血管化、优化细胞来源和改进细胞培养条件的策略。此外,生长因子的控制释放系统、表面修饰技术和体外培养过程中的机械调节被强调为贴片制造的关键方面。图形抽象
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引用次数: 0
Changes in the flexural strength and surface characteristics of different zones of multilayered translucent zirconia during aging process 多层半透明氧化锆在时效过程中不同区域抗弯强度和表面特性的变化
IF 4.5 3区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2025-10-11 DOI: 10.1007/s10856-025-06938-8
Jeong-Min Ham, Jong-Hyuk Lee, Seung-Ryong Ha, Deog-Gyu Seo, Jin-Soo Ahn, Yu-Sung Choi

Objectives

This study evaluated the mechanical and surface characteristics of the transition zone of multilayered translucent zirconia (TZ) after aging and analyzed the correlation between the 4-point bending flexural strength (4PBFS) and biaxial flexural strength (BFS) in each zone.

Methods

Traditional (3Y-TZP of LT; L, 4Y-TZP of MT; M) and multilayered TZ (5Y-TZP of MT Multi; T, 3Y/5Y-TZP of Prime; P, 4Y/5Y-TZP of Prime esthetic; E) IPS E.max ZirCAD blocks were used to fabricate 525 disk-shaped and 300 bar-shaped specimens. Specimens were separated into three groups, aged in an autoclave at 134 °C under 0.2 MPa for 0 h, 5 h, and 10 h. The mechanical and surface characteristics of the transition zone in multilayered TZ were analyzed, following statistical analyses (α = 0.05).

Results

L showed the highest 4PBFS and BFS, irrespective of aging. Consistent correlations between the 4PBFS and BFS were found in all groups. L showed the highest Weibull characteristic strength under all conditions. T showed the highest nanoindentation hardness and Young’s modulus, and the Vickers hardness of L and P were lower than other groups. Aging led to surface uplifts and microcracks caused by phase transformation, particularly in L and P.

Conclusions

The flexural strength of 3Y/5Y-TZP and 4Y/5Y-TZP was comparable to that of 3Y-TZP and 4Y, 5Y-TZP respectively, regardless of aging. Surface roughness showed a marked increase after aging in 3Y-TZP and 3Y/5Y-TZP. Furthermore, the interaction between yttria content and aging was evident across all mechanical and surface characteristics, except for flexural strength.

Graphical Abstract

目的评价多层半透明氧化锆(TZ)老化后过渡区的力学和表面特征,分析各过渡区的四点弯曲强度(4PBFS)和双轴弯曲强度(BFS)的相关性。方法采用传统(LT的3Y- tzp; MT的L, 4Y- tzp; M)和多层TZ (MT Multi的5Y-TZP; T, Prime的3Y/5Y-TZP; P, Prime美学的4Y/5Y-TZP; E) IPS E.max ZirCAD块制作525个圆盘形和300个条形标本。将样品分为三组,分别在134°C、0.2 MPa下的高压灭菌器中老化0、5、10 h。采用统计学分析(α = 0.05)对多层TZ过渡区的力学和表面特征进行了分析。结果4PBFS和BFS均最高,与年龄无关。各组4PBFS和BFS之间存在一致的相关性。在所有条件下,L的威布尔特征强度最高。T合金的纳米压痕硬度和杨氏模量最高,L和P合金的维氏硬度较低。时效导致表面凸起和相变引起的微裂纹,其中L和p的变化最为明显。结论无论时效与否,3Y/5Y-TZP和4Y/5Y-TZP的抗弯强度分别与3Y- tzp和4Y、5Y-TZP相当。表面粗糙度在3Y- tzp和3Y/5Y-TZP中时效后明显增大。此外,除弯曲强度外,氧化钇含量与时效之间的相互作用在所有机械和表面特性中都很明显。图形抽象
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引用次数: 0
Calcification Potential of Intraocular Lenses (IOL). Predictive in vitro and in vivo models 人工晶状体(IOL)的钙化电位。体外和体内预测模型
IF 4.5 3区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2025-10-11 DOI: 10.1007/s10856-025-06909-z
Brad Gray, Petros Koutsoukos, Ling C. Huang

Opacification of intraocular lenses (IOLs) due to the formation of calcium phosphate occurs because of their contact with the aqueous humor (AH), which is supersaturated with respect to calcium phosphate. Calcification of IOLs was simulated in vitro using a batch reactor in which the IOLs were exposed to solutions simulating AH. Based on the precise and reproducible measurement of the rates of formation of mineral deposits on the IOLs, it is possible to develop reliable screening tests of different types of IOL materials. Depending on their material composition, IOLs are expected to present different active sites for the growth of deposits. Measurements of the kinetics of formation of hydroxyapatite (Ca5(PO4)3OH; HAP) were used to compare the relative tendency of IOL towards calcification. The trend the IOLs tested showed towards calcification was found to correlate with contact angle values. In the case of hydrophobic IOLs, the surface charge calculated from the corresponding zeta potential measurements was low in comparison with the respective high (absolute) values of the mineralizing hydrophilic IOLs, suggesting strong correlation between surface charge and tendency to calcify. The in vitro results align with the in vivo tests, suggesting that in vivo tests can be safely substituted or at least significantly reduced by the in vitro model.

Graphical Abstract

由于磷酸钙的形成,人工晶状体(iol)由于与房水(AH)接触而发生混浊,而房水相对于磷酸钙是过饱和的。体外模拟iol的钙化,采用间歇式反应器,iol暴露于模拟AH的溶液中。基于对人工晶状体上矿藏形成速率的精确和可重复测量,可以对不同类型的人工晶状体材料进行可靠的筛选试验。根据其材料组成,iol预计会呈现出不同的活性位点,以促进沉积物的生长。羟基磷灰石(Ca5(PO4)3OH)形成动力学的测定采用HAP法比较人工晶状体的相对钙化倾向。人工晶状体的钙化趋势与接触角值有关。在疏水iol的情况下,与矿化亲水性iol的高(绝对值)值相比,由相应的zeta电位测量计算出的表面电荷较低,这表明表面电荷与钙化倾向之间存在很强的相关性。体外试验结果与体内试验结果一致,表明体内试验可以被体外模型安全替代或至少显著减少。图形抽象
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引用次数: 0
Functionalized bacterial cellulose membranes with controlled biodegradation and β-estradiol delivery properties for potential intrauterine adhesion prevention 具有可控生物降解和β-雌二醇传递特性的功能化细菌纤维素膜用于潜在的宫内粘连预防
IF 4.5 3区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2025-10-11 DOI: 10.1007/s10856-025-06937-9
Lu Cheng, Chunyan Zhong, Yuguang Zhong, Jun Liu

Intrauterine adhesions pose a significant challenge to female fertility, with current treatments showing limited efficacy and safety concerns, including poor biocompatibility and secondary trauma risks. In this work, we present a novel biodegradable bacterial nanocellulose (BC)-based physical barrier that integrates controlled drug release capabilities for preventing intrauterine adhesions. Through TEMPO-mediated oxidation and N-vinyl pyrrolidone grafting, we developed BC membranes exhibiting superior biocompatibility (cell death rate <5%) and selective fibroblast inhibition. The system achieves controlled biodegradation over 14 days while maintaining mechanical integrity (tensile strength >2.0 MPa) and providing sustained β-estradiol release. This approach represents a significant advancement in intrauterine adhesion prevention strategies.

宫内粘连对女性生育能力构成了重大挑战,目前的治疗方法疗效和安全性有限,包括生物相容性差和继发性创伤风险。在这项工作中,我们提出了一种新的可生物降解的细菌纳米纤维素(BC)为基础的物理屏障,集成了控制药物释放能力,以防止宫内粘连。通过tempo介导的氧化和n -乙烯基吡咯烷酮移植,我们开发了具有优越生物相容性(细胞死亡率<;5%)和选择性成纤维细胞抑制的BC膜。该系统在14天内实现可控的生物降解,同时保持机械完整性(抗拉强度>;2.0 MPa),并提供持续的β-雌二醇释放。这种方法代表了宫内粘连预防策略的重大进步。
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引用次数: 0
Metal release profiles of NiTi and stainless steel orthodontic appliances: the influence of proteinaceous immersion media vs artificial saliva 镍钛和不锈钢正畸矫治器的金属释放特性:蛋白浸泡介质对人工唾液的影响。
IF 4.5 3区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2025-10-06 DOI: 10.1007/s10856-025-06885-4
Mirna Petković Didović, Koray Kara, Ivana Jelovica Badovinac, Robert Peter, Željka Fiket, Iva Suman, Tomasz Kowalkowski, Gordana Čanadi Jurešić

When measured in vitro, the release of metal ions from orthodontic alloys is typically carried out in artificial saliva (AS), a medium with many advantages but lacking the biological complexity of natural human saliva. In this study, we measured ion release profiles from the complete orthodontic fixed appliance, comprising stainless steel and NiTi parts, in a proteinaceous media (yeast extract peptone dextrose, YPD) and compared it to AS. Two immersion models were used, differing in medium replenishment dynamics. To elucidate the metal release results, surface chemistry and topography were analysed using atomic force microscopy (AFM) followed by roughness analysis, and elemental analysis of the top micrometric and nanometric layer (SEM/EDX and XPS analyses).The results showed that proteinaceous media promoted the leaching of Fe, Cu, and Al while suppressing Ni and Cr. Ni2+ and Cr3+ ions were detected in the top layer on NiTi in AS, but not in YPD. A rough “wavy” surface layer was formed in AS, as opposed to smaller sharper entities formed in YPD. Cu(I) compounds on orthodontic bands were detected in both media. The replenishment of the media during immersion influenced the development of surface chemistry and ion leaching for both types of media, AS and YPD. The results obtained in this study are expected to provide a significant advancement over previous studies using artificial saliva (only).

Graphical Abstract

在体外测量时,正畸合金金属离子的释放通常在人工唾液(AS)中进行,这是一种具有许多优点但缺乏天然人类唾液生物复杂性的介质。在这项研究中,我们测量了由不锈钢和NiTi部件组成的完整正畸固定矫形器在蛋白质介质(酵母提取物蛋白胨葡萄糖,YPD)中的离子释放谱,并将其与AS进行比较。使用了两种浸泡模型,不同的介质补充动力学。为了阐明金属释放结果,利用原子力显微镜(AFM)分析了表面化学和形貌,随后进行了粗糙度分析,并对顶部微米和纳米层进行了元素分析(SEM/EDX和XPS分析)。结果表明,蛋白质介质促进了Fe、Cu和Al的浸出,抑制了Ni和Cr的浸出。在AS中,NiTi的顶层检测到Ni2+和Cr3+离子,而在YPD中则没有。在AS中形成了一个粗糙的“波浪”表面层,而在YPD中形成了更小更锋利的实体。在两种介质中均检测到正畸带上的Cu(I)化合物。浸渍过程中介质的补充影响了AS和YPD两种介质的表面化学和离子浸出的发展。本研究获得的结果有望比以往使用人工唾液(仅)的研究提供重大进展。
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引用次数: 0
Molecular dynamics simulation of polymerization kinetics, dimensional stability, and in silico toxicity of nextgeneration silicone impression materials in dentistry 聚合动力学的分子动力学模拟,尺寸稳定性,和硅毒性的下一代硅树脂印模材料在牙科。
IF 4.5 3区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2025-09-29 DOI: 10.1007/s10856-025-06944-w
Ravinder S. Saini, Doni Dermawan, Abdullah Hasan A. Alshehri, Rayan Ibrahim H. Binduhayyim, Rajesh Vyas, Abdulkhaliq Ali F. Alshadidi, Lujain Ibrahim N. Aldosari, Masroor Ahmed Kanji, Mario Alberto Alarcón-Sánchez, Artak Heboyan

This study evaluates how next-generation silicone impression materials intended for dental use behave during polymerization, as well as their dimensional stability, mechanical properties, degradation patterns, and in silico toxicity levels. Silicone materials are preferred for dental applications because of their outstanding mechanical properties and compatibility with biological tissues. The performance of these materials is susceptible to environmental conditions including temperature changes, humidity levels, and exposure to oral fluids. Patient safety requires evaluation of degradation product toxicity concerns. It is crucial to examine these properties at the molecular level to enhance material durability and safety during clinical use. The structural, mechanical, and stability properties of silicone materials were modeled through molecular dynamics (MD) simulations using BIOVIA Materials Studio 2020. Material characterization and evaluation of mechanical properties were performed with the Forcite module using the COMPASSIII force field. The study simulated polymerization dynamics to understand the reaction mechanisms while employing the Kinetix and DMol3 modules to analyze dimensional stability under various environmental stresses. The CASTEP and DMol3 modules, along with the OSIRIS DataWarrior, were employed to forecast degradation pathways and potential toxicity. The combination of an elastic modulus of 2.533 GPa and tensile strength of 5.387 MPa allows Polydimethylsiloxane (PDMS) to show superior flexibility and rigidity, which qualifies it as the best choice for dental impression materials. Methacryloxypropyltrimethoxysilane (3.248 GPa) and hexaphenylcyclotrisiloxane (3.017 GPa) exhibited enhanced stiffness, suggesting their usefulness in load-bearing scenarios. In silico toxicity predictions indicated that most silicone derivatives demonstrated acceptable biocompatibility, although some silane compounds showed potential risks requiring further experimental validation. Under simulated conditions, the materials maintained stable configurations and exhibited positive polymerization dynamics, indicating that they could provide high durability along with dimensional stability for dental usage. This study highlights the superior balance of flexibility, rigidity, and safety exhibited by PDMS, while also identifying Methacryloxypropyltrimethoxysilane and hexaphenylcyclotrisiloxane as candidates for specialized load-bearing dental applications. Promising in silico findings require experimental validation and clinical testing to establish their practical applications.

本研究评估了用于牙科用途的下一代硅树脂印模材料在聚合过程中的表现,以及它们的尺寸稳定性、机械性能、降解模式和硅毒性水平。有机硅材料是牙科应用的首选,因为它们具有出色的机械性能和与生物组织的相容性。这些材料的性能容易受到环境条件的影响,包括温度变化、湿度水平和接触口服液。患者安全需要对降解产物毒性问题进行评估。在临床使用过程中,在分子水平上检查这些特性以提高材料的耐久性和安全性至关重要。利用BIOVIA materials Studio 2020进行分子动力学(MD)模拟,模拟了有机硅材料的结构、机械和稳定性。Forcite模块使用compassion力场对材料进行表征和力学性能评估。本研究通过模拟聚合动力学来了解反应机理,同时利用Kinetix和DMol3模块分析不同环境应力下的尺寸稳定性。CASTEP和DMol3模块以及OSIRIS DataWarrior用于预测降解途径和潜在毒性。弹性模量为2.533 GPa,抗拉强度为5.387 MPa,使聚二甲基硅氧烷(PDMS)具有优越的柔韧性和刚性,是牙科印模材料的最佳选择。甲基丙烯氧基丙基三甲氧基硅烷(3.248 GPa)和六苯基环三硅氧烷(3.017 GPa)的刚度增强,表明它们在承重场景中有用。在硅毒性预测表明,大多数有机硅衍生物表现出可接受的生物相容性,尽管一些硅烷化合物显示出潜在的风险,需要进一步的实验验证。在模拟条件下,材料保持稳定的结构,并表现出正聚合动力学,表明它们可以为牙科使用提供高耐久性和尺寸稳定性。本研究强调了PDMS在柔韧性、刚性和安全性方面的卓越平衡,同时也确定了甲基丙烯氧基丙基三甲氧基硅烷和六苯基环三硅氧烷作为特殊承重牙科应用的候选材料。有希望的硅发现需要实验验证和临床测试,以建立其实际应用。
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Journal of Materials Science: Materials in Medicine
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