Utilizing density functional theory (DFT) first-principles calculations, we conducted an extensive exploration into the intricate structural, mechanical, and thermodynamic characteristics of transition metal ditetrelides, focusing specifically on hexagonal TaGe 2 . This investigation aimed to comprehensively elucidate the fundamental properties of this compound, shedding light on its potential applications in diverse fields. The computational findings for the lattice constants presented in this paper not only corroborated existing theoretical values but also furnished a detailed insight into the lattice geometry of TaGe 2 . In-depth analysis of key mechanical properties encompassing the bulk modulus ( B ), shear modulus ( G ), and Young’s modulus ( E ) unveiled the material’s mechanical response to external forces. Significantly, the ratio of B/G emerged as a pivotal parameter, categorizing hexagonal TaGe 2 as a brittle phase. This observation was further reinforced by the discerned Cauchy pressure value, which distinctly pointed toward brittle behavior. The intricate nature of the inter-atomic bonding in TaGe 2 was effectively probed through our calculated values of Poisson’s ratio ( ν ). Remarkably, our results underscored the prevalence of an ionic interplay among atoms within TaGe 2 , particularly within the ambit of applied pressures. To provide a comprehensive perspective on its mechanical resilience, we also predicted the compound’s hardness, unveiling a tangible metric for assessing its suitability in various applications. This comprehensive investigation not only advances our fundamental understanding of transition metal ditetrelides, particularly TaGe 2 , but also bestows vital insights into their potential utilization in fields ranging from materials science to engineering. The intricate interplay of structural stability, mechanical behavior, and thermodynamic response unraveled through our study contributes to a deeper appreciation of the multifaceted properties of this compound and paves the way for its innovative applications.
{"title":"Mechanical and Thermodynamic Properties of TaGe<sub>2</sub>: A First-Principles Study","authors":"Zai Gao Huang","doi":"10.1166/sam.2023.4524","DOIUrl":"https://doi.org/10.1166/sam.2023.4524","url":null,"abstract":"Utilizing density functional theory (DFT) first-principles calculations, we conducted an extensive exploration into the intricate structural, mechanical, and thermodynamic characteristics of transition metal ditetrelides, focusing specifically on hexagonal TaGe 2 . This investigation aimed to comprehensively elucidate the fundamental properties of this compound, shedding light on its potential applications in diverse fields. The computational findings for the lattice constants presented in this paper not only corroborated existing theoretical values but also furnished a detailed insight into the lattice geometry of TaGe 2 . In-depth analysis of key mechanical properties encompassing the bulk modulus ( B ), shear modulus ( G ), and Young’s modulus ( E ) unveiled the material’s mechanical response to external forces. Significantly, the ratio of B/G emerged as a pivotal parameter, categorizing hexagonal TaGe 2 as a brittle phase. This observation was further reinforced by the discerned Cauchy pressure value, which distinctly pointed toward brittle behavior. The intricate nature of the inter-atomic bonding in TaGe 2 was effectively probed through our calculated values of Poisson’s ratio ( ν ). Remarkably, our results underscored the prevalence of an ionic interplay among atoms within TaGe 2 , particularly within the ambit of applied pressures. To provide a comprehensive perspective on its mechanical resilience, we also predicted the compound’s hardness, unveiling a tangible metric for assessing its suitability in various applications. This comprehensive investigation not only advances our fundamental understanding of transition metal ditetrelides, particularly TaGe 2 , but also bestows vital insights into their potential utilization in fields ranging from materials science to engineering. The intricate interplay of structural stability, mechanical behavior, and thermodynamic response unraveled through our study contributes to a deeper appreciation of the multifaceted properties of this compound and paves the way for its innovative applications.","PeriodicalId":21671,"journal":{"name":"Science of Advanced Materials","volume":"18 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135054362","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The extrusion-formed Zn–0.5Mg alloy got a improved elongation and tensile strength by the addition of Mn. The influence of Mn on the strength contribution was investigated by comparing the microstructures of the designed Zn–0.5Mg and Zn–0.5Mg–0.2Mn alloys. The deformed binary Zn–Mg alloy had a grain size of 9 μ m, and the grain size of the deformed ternary Zn–Mg–Mn alloy was 3 m. This result indicated that the extrusion-formed Zn–Mg–Mn alloy had a greater contribution to grain boundary strengthening than the extrusion-formed Zn–Mg alloy. Furthermore, the precipitates in the two alloys show significant differences in size, morphology, density, and variety. Precipitates in the Mn-containing Zn alloy showed a smaller size, higher density, and the ratio of length and diameter. The high elongation rate of the extrusion-formed Zn–Mg–Mn alloy was attributed to the fully fragmented Mg 2 Zn 11 and deformable MnZn 13 phases. In addition to enhancing its mechanical characteristics, the Zn–Mg–Mn alloy, as extruded, exhibits the same corrosion rates, antibacterial properties, and biocompatibility. These results are helpful in expanding the applications of Zn alloys in the orthopaedic field.
{"title":"Preparing High Strength and Elongation of Biodegradable Zinc–Magnesium Alloys with Superior Antibacterial Properties and Biocompatibility","authors":"Bi Zhang, Rongchun Chen, Bin Zhang","doi":"10.1166/sam.2023.4526","DOIUrl":"https://doi.org/10.1166/sam.2023.4526","url":null,"abstract":"The extrusion-formed Zn–0.5Mg alloy got a improved elongation and tensile strength by the addition of Mn. The influence of Mn on the strength contribution was investigated by comparing the microstructures of the designed Zn–0.5Mg and Zn–0.5Mg–0.2Mn alloys. The deformed binary Zn–Mg alloy had a grain size of 9 μ m, and the grain size of the deformed ternary Zn–Mg–Mn alloy was 3 m. This result indicated that the extrusion-formed Zn–Mg–Mn alloy had a greater contribution to grain boundary strengthening than the extrusion-formed Zn–Mg alloy. Furthermore, the precipitates in the two alloys show significant differences in size, morphology, density, and variety. Precipitates in the Mn-containing Zn alloy showed a smaller size, higher density, and the ratio of length and diameter. The high elongation rate of the extrusion-formed Zn–Mg–Mn alloy was attributed to the fully fragmented Mg 2 Zn 11 and deformable MnZn 13 phases. In addition to enhancing its mechanical characteristics, the Zn–Mg–Mn alloy, as extruded, exhibits the same corrosion rates, antibacterial properties, and biocompatibility. These results are helpful in expanding the applications of Zn alloys in the orthopaedic field.","PeriodicalId":21671,"journal":{"name":"Science of Advanced Materials","volume":"45 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135054090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Accurately predicting the formability of composites is quite important for designing the materials and optimizing the processing parameters of such components. This paper presents a microstructure-based two-scale model to analyze the deformation behavior of the SiC p /2009Al composite during upsetting. The microstructure-based micro-scale model with a displacement boundary condition that was obtained from a macro-scale model can predict particle cracking, interface failure and matrix fracture by introducing the normal stress criterion, the maximum stress ratio criterion and the shear fracture model. The simulation results show that, during unidirectional upsetting, the crack initiates in the matrix, and then propagates in the matrix, the interface and the particle. Comparing with the unidirectional upsetting, the bidirectional upsetting results in a more uniform stain distribution and a smaller maximum strain, which prevent the initiation of the crack in the matrix. The simulation results compare well with the deformation and fracture patterns observed in experiment, indicating an effective way to optimise the plastic working and designing of composites.
准确预测复合材料的成形性对材料的设计和零件工艺参数的优化具有重要意义。本文提出了一种基于微观组织的双尺度模型，用于分析SiC p /2009Al复合材料镦粗过程中的变形行为。基于微观结构的微尺度模型，通过引入正应力准则、最大应力比准则和剪切断裂模型，在宏观尺度模型的基础上得到位移边界条件，可以预测颗粒开裂、界面破坏和基体断裂。结果表明:单向镦粗过程中，裂纹首先在基体中萌生，然后在基体、界面和颗粒中扩展;与单向镦粗相比，双向镦粗使裂纹分布更均匀，最大应变更小，防止了基体裂纹的萌生。模拟结果与实验观察到的变形和断裂模式吻合较好，为优化复合材料的塑性加工和设计提供了有效途径。
{"title":"Microstructure-Based Two-Scale Simulation of Deformation and Fracture of SiC<sub>p</sub>/2009Al Composite","authors":"Zhiyi Zhang, Xiaohui Han, Yin Ma, Ying Kan, Yunlu Jiang, Huaining Chen","doi":"10.1166/sam.2023.4509","DOIUrl":"https://doi.org/10.1166/sam.2023.4509","url":null,"abstract":"Accurately predicting the formability of composites is quite important for designing the materials and optimizing the processing parameters of such components. This paper presents a microstructure-based two-scale model to analyze the deformation behavior of the SiC p /2009Al composite during upsetting. The microstructure-based micro-scale model with a displacement boundary condition that was obtained from a macro-scale model can predict particle cracking, interface failure and matrix fracture by introducing the normal stress criterion, the maximum stress ratio criterion and the shear fracture model. The simulation results show that, during unidirectional upsetting, the crack initiates in the matrix, and then propagates in the matrix, the interface and the particle. Comparing with the unidirectional upsetting, the bidirectional upsetting results in a more uniform stain distribution and a smaller maximum strain, which prevent the initiation of the crack in the matrix. The simulation results compare well with the deformation and fracture patterns observed in experiment, indicating an effective way to optimise the plastic working and designing of composites.","PeriodicalId":21671,"journal":{"name":"Science of Advanced Materials","volume":"112 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135054094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This research was aimed to demonstrate the clinical therapeutic effect of the joint use of calf blood-deproteinized extract (CBDE) and eye drops in therapy of moderate to severe dry eye (MSDE) patients. By analyzing the therapeutic effects of different treatment modalities, the superiority of the combined approach was examined. The main components of the calf blood protein extract were analyzed using ultra-high-performance liquid chromatography-mass spectrometry. Ninety patients with MSDE were included. They were assigned into two groups randomly: the eye drops group (45 patients receiving eye drop treatment) and the joint therapy group (45 patients receiving the combined treatment of CBDE and eye drops). The treatment effects between the two groups were compared. It was revealed that the CBDE had a high content of glucose. The treatment effectiveness was 80.00% in the eye drops group and 95.56% in the joint therapy group. The combined treatment demonstrated a greatly higher effectiveness in MSDE versus the use of eye drops alone ( P <0.05). The joint therapy group showed more pronounced improvements in tear breakup time (BUT), Schirmer I test (SIT), corneal fluorescein test (FL) scores, and symptom scores ( P <0.05). Moreover, the joint therapy group exhibited a more drastic decrease in the corneal surface asymmetry index (SAI) and corneal surface regularity index (SRI) ( P <0.05), as well as a greater reduction in the levels of inflammatory markers ( P <0.05). The dry eye symptom scores were also markedly lower in the joint therapy group ( P <0.05). These findings indicate that the combined use of CBDE and eye drops has a positive effect in therapy of MSDE patients, improving dry eye symptoms, suppressing inflammatory markers, and promoting disease recovery.
{"title":"Combined Use of Calf Blood-Deproteinized Extract and Eye Drops for the Treatment of Moderate to Severe Dry Eye Patients","authors":"Jiang Yue, Zhengqun Liu, Juanping Yin","doi":"10.1166/sam.2023.4550","DOIUrl":"https://doi.org/10.1166/sam.2023.4550","url":null,"abstract":"This research was aimed to demonstrate the clinical therapeutic effect of the joint use of calf blood-deproteinized extract (CBDE) and eye drops in therapy of moderate to severe dry eye (MSDE) patients. By analyzing the therapeutic effects of different treatment modalities, the superiority of the combined approach was examined. The main components of the calf blood protein extract were analyzed using ultra-high-performance liquid chromatography-mass spectrometry. Ninety patients with MSDE were included. They were assigned into two groups randomly: the eye drops group (45 patients receiving eye drop treatment) and the joint therapy group (45 patients receiving the combined treatment of CBDE and eye drops). The treatment effects between the two groups were compared. It was revealed that the CBDE had a high content of glucose. The treatment effectiveness was 80.00% in the eye drops group and 95.56% in the joint therapy group. The combined treatment demonstrated a greatly higher effectiveness in MSDE versus the use of eye drops alone ( P <0.05). The joint therapy group showed more pronounced improvements in tear breakup time (BUT), Schirmer I test (SIT), corneal fluorescein test (FL) scores, and symptom scores ( P <0.05). Moreover, the joint therapy group exhibited a more drastic decrease in the corneal surface asymmetry index (SAI) and corneal surface regularity index (SRI) ( P <0.05), as well as a greater reduction in the levels of inflammatory markers ( P <0.05). The dry eye symptom scores were also markedly lower in the joint therapy group ( P <0.05). These findings indicate that the combined use of CBDE and eye drops has a positive effect in therapy of MSDE patients, improving dry eye symptoms, suppressing inflammatory markers, and promoting disease recovery.","PeriodicalId":21671,"journal":{"name":"Science of Advanced Materials","volume":"36 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135054089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wei Zheng, Qian Luo, Dong Shi, Bin Zhang, Xinju Zhang, Chen Chen, Lei Wang, Chunming Si, Jun Qian, Ali Aibai
Regulatory factors function by modulating a variety of cascade mechanisims in cells. FDPS is a potential RNA-Binding Protein involved in various biological functions such as transcription, post-transcriptional processing, translation and post-translational modification. FDPS promote post-translational modification of GTPase for the treatment of diseases associated with bone resorption. However, it is not clear whether FDPS plays an information-regulating role through the action of splicing factors. In this study, the cell biology, gene expression profile and alternative splicing pattern of FDPS-overexpressed MC3T3-E1 cells (FDPS-OE) were compared with the control. The results showed that FDPS-OE promoted cell proliferation and inhibited cell apoptosis, and identified the potential target genes and potential functions of FDPS. In addition, FDPS-OE extensively regulated the transcriptional levels of cellular immune response and glycometabolism-related genes, thus affecting the immune function of bone formation and glycometabolism of bone cells. Finally, FDPS extensively regulates the selective splicing of hundreds of genes, and has functions of regulating cell cycle, cell division and positive transcription. The splicing of these genes regulated by FDPS plays an important role in cell proliferation and apoptosis and gene transcription regulation. In conclusion, FDPS can mediate the formation and apoptosis of abnormal osteoblasts through splicing regulation, thus causing the occurrence and development of osteoporosis.
{"title":"FDPS-Influenced Transcriptome Alternations in MC3T3-E1 Cells are Associated with the Pathogenesis of Osteoporosis","authors":"Wei Zheng, Qian Luo, Dong Shi, Bin Zhang, Xinju Zhang, Chen Chen, Lei Wang, Chunming Si, Jun Qian, Ali Aibai","doi":"10.1166/sam.2023.4516","DOIUrl":"https://doi.org/10.1166/sam.2023.4516","url":null,"abstract":"Regulatory factors function by modulating a variety of cascade mechanisims in cells. FDPS is a potential RNA-Binding Protein involved in various biological functions such as transcription, post-transcriptional processing, translation and post-translational modification. FDPS promote post-translational modification of GTPase for the treatment of diseases associated with bone resorption. However, it is not clear whether FDPS plays an information-regulating role through the action of splicing factors. In this study, the cell biology, gene expression profile and alternative splicing pattern of FDPS-overexpressed MC3T3-E1 cells (FDPS-OE) were compared with the control. The results showed that FDPS-OE promoted cell proliferation and inhibited cell apoptosis, and identified the potential target genes and potential functions of FDPS. In addition, FDPS-OE extensively regulated the transcriptional levels of cellular immune response and glycometabolism-related genes, thus affecting the immune function of bone formation and glycometabolism of bone cells. Finally, FDPS extensively regulates the selective splicing of hundreds of genes, and has functions of regulating cell cycle, cell division and positive transcription. The splicing of these genes regulated by FDPS plays an important role in cell proliferation and apoptosis and gene transcription regulation. In conclusion, FDPS can mediate the formation and apoptosis of abnormal osteoblasts through splicing regulation, thus causing the occurrence and development of osteoporosis.","PeriodicalId":21671,"journal":{"name":"Science of Advanced Materials","volume":"35 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135054365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dongping Chang, Pengcheng Xu, Xiaobo Ji, Minjie Li, Wencong Lu
OCPMDM is an online platform specially developed for researchers who do not have any programming basics to perform material machine learning projects, in which the processing of ABO 3 perovskite machine learning has even reached automation. In this work, we used OCPMDM to discover perovskite materials with multi-properties to demonstrate some functions of the platform, including the descriptor filling, regression, classification, pattern recognition, and virtual screening. The results of LOOCV and independent test of the constructed regression and classification models for Curie temperature and band gap show the reliable predictive ability of the models via the platform. In the pattern recognition optimization area, the occupancy rate of superior samples with high Curie temperature and suitable band gap reached 92.73% and 80%, respectively. In addition, we also screened out 8 candidates with higher Curie temperature and proper band gap for experiments.
{"title":"Application of Online Computational Platform of Materials Data Mining (OCPMDM) in Search for ABO<sub>3</sub> Perovskites with Multi-Properties","authors":"Dongping Chang, Pengcheng Xu, Xiaobo Ji, Minjie Li, Wencong Lu","doi":"10.1166/sam.2023.4525","DOIUrl":"https://doi.org/10.1166/sam.2023.4525","url":null,"abstract":"OCPMDM is an online platform specially developed for researchers who do not have any programming basics to perform material machine learning projects, in which the processing of ABO 3 perovskite machine learning has even reached automation. In this work, we used OCPMDM to discover perovskite materials with multi-properties to demonstrate some functions of the platform, including the descriptor filling, regression, classification, pattern recognition, and virtual screening. The results of LOOCV and independent test of the constructed regression and classification models for Curie temperature and band gap show the reliable predictive ability of the models via the platform. In the pattern recognition optimization area, the occupancy rate of superior samples with high Curie temperature and suitable band gap reached 92.73% and 80%, respectively. In addition, we also screened out 8 candidates with higher Curie temperature and proper band gap for experiments.","PeriodicalId":21671,"journal":{"name":"Science of Advanced Materials","volume":"15 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135054091","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Implant-supported dentures have become a major approach to edentulous/defective repair. Peri-implantitis is a major factor leading to implant failure. The emergence of antibacterial peptides has provided a novel idea for the study of antibacterial coatings on implant surfaces. The antibacterial peptide GL13K was modified onto the surface of titanium (Ti) by silanization with 3-chloropropyltriethoxysilane, and its physicochemical properties were characterized. After its coculture with Porphyromonas gingivalis (P. g) in vitro , the cell activity was detected, and the antibacterial properties were analyzed. After its coculture with gingival fibroblasts (GFs) in vitro , CCK-8 was adopted to detect cell proliferation and analyze cytotoxicity. After its coculture with gingival epithelial cells (GECs) and GFs in vitro , the adhesion was demonstrated by acridine orange staining and DAPI staining. The smooth Ti implant (S/T), the microgroove Ti implant (E/T), and the GL13K-modified microgroove Ti implant (GL13K/E/T) were implanted into the inferolateral aspect of the femoral condyle of the right posterior limb of healthy New Zealand rabbits. Four weeks after surgery, the levels of osteoprotegerin (OPG) and nuclear factor-kappa B ligand (RANKL) in the bone tissue around the implant were detected by immunohistochemistry. The results revealed that relative to the S/T and E/T materials, the surface roughness and contact angle of the GL13K/E/T material were enhanced, while the metabolic activity and colony count of P. g were decreased. S/T, E/T, and GL13K/E/T materials had no notable effect on the viability of GFs ( P > 0.05). Relative to the S/T material, the numbers of GECs and GFs attached to the surfaces of the E/T and GL13K/E/T materials were drastically increased ( P < 0.05). Furthermore, relative to the S/T group, OPG levels in the peri-implant bone tissues of the E/T and GL13K/E/T groups were increased, while the RANKL level was decreased ( P < 0.05). In contrast to group E/T, OPG in the peri-implant bone tissue of rabbits of the GL13K/E/T group was increased, while the RANKL was decreased ( P < 0.05). In summary, the Ti implant with a microgroove structure modified by the antibacterial peptide GL13K had an ideal antibacterial effect and promoted the adhesion and growth of GECs and GFs. In addition, the antibacterial peptide GL13K-modified Ti implant with a microgroove structure could promote early bone bonding.
{"title":"Effect of Surface Nanomodification of Titanium Implants on Adhesion, Bone Bonding, and Bacterial Aggregation of Gingival Epithelial Cells and Fibroblasts","authors":"Lang Xu, Zhongwei Huang","doi":"10.1166/sam.2023.4508","DOIUrl":"https://doi.org/10.1166/sam.2023.4508","url":null,"abstract":"Implant-supported dentures have become a major approach to edentulous/defective repair. Peri-implantitis is a major factor leading to implant failure. The emergence of antibacterial peptides has provided a novel idea for the study of antibacterial coatings on implant surfaces. The antibacterial peptide GL13K was modified onto the surface of titanium (Ti) by silanization with 3-chloropropyltriethoxysilane, and its physicochemical properties were characterized. After its coculture with Porphyromonas gingivalis (P. g) in vitro , the cell activity was detected, and the antibacterial properties were analyzed. After its coculture with gingival fibroblasts (GFs) in vitro , CCK-8 was adopted to detect cell proliferation and analyze cytotoxicity. After its coculture with gingival epithelial cells (GECs) and GFs in vitro , the adhesion was demonstrated by acridine orange staining and DAPI staining. The smooth Ti implant (S/T), the microgroove Ti implant (E/T), and the GL13K-modified microgroove Ti implant (GL13K/E/T) were implanted into the inferolateral aspect of the femoral condyle of the right posterior limb of healthy New Zealand rabbits. Four weeks after surgery, the levels of osteoprotegerin (OPG) and nuclear factor-kappa B ligand (RANKL) in the bone tissue around the implant were detected by immunohistochemistry. The results revealed that relative to the S/T and E/T materials, the surface roughness and contact angle of the GL13K/E/T material were enhanced, while the metabolic activity and colony count of P. g were decreased. S/T, E/T, and GL13K/E/T materials had no notable effect on the viability of GFs ( P > 0.05). Relative to the S/T material, the numbers of GECs and GFs attached to the surfaces of the E/T and GL13K/E/T materials were drastically increased ( P < 0.05). Furthermore, relative to the S/T group, OPG levels in the peri-implant bone tissues of the E/T and GL13K/E/T groups were increased, while the RANKL level was decreased ( P < 0.05). In contrast to group E/T, OPG in the peri-implant bone tissue of rabbits of the GL13K/E/T group was increased, while the RANKL was decreased ( P < 0.05). In summary, the Ti implant with a microgroove structure modified by the antibacterial peptide GL13K had an ideal antibacterial effect and promoted the adhesion and growth of GECs and GFs. In addition, the antibacterial peptide GL13K-modified Ti implant with a microgroove structure could promote early bone bonding.","PeriodicalId":21671,"journal":{"name":"Science of Advanced Materials","volume":"48 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135054095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shijun Wang, Jing Yang, Zhong Zhang, Kui Liang, Siqi Yuan, Teng Tong, Tao Wang
In this study, the conventional Voronoi-based irregular lattice model is regularized by the phase-field method, which effectively introduces a characteristic length parameter to overcome the mesh-size dependent solution. To circumvent the local instability (snap-back) which generally requires sophisticated arc-length control, the so-called phase-field regularized Voronoi-based lattice ( PHL ) model is realized using an explicit finite element solver. Furthermore, the constitutive law of quasi-brittle materials is embraced when establishing the PHL model, which is proven length-scale insensitive. We show that the PHL model with an explicit solver is very robust and computationally efficient, provided with proper parameters and parallel computing. Moreover, the necessary fine mesh size in the implicit phase-field method is greatly released in the explicit PHL model, of which accurate results could be obtained with the coarser mesh size. Several experiments are adopted to demonstrate the model, including the size effect and mix-mode bending of concrete specimens. Cracks’ initiation, propagation, and coalescence could be automatically captured without any tracking algorithms. In addition, it is noteworthy that the model could easily be extended to coupled mechanical and transportation problems.
{"title":"Explicit Phase-Field Regularized Voronoi-Based Lattice Model for Quasi-Brittle Fracture and Its Finite Element Implementation","authors":"Shijun Wang, Jing Yang, Zhong Zhang, Kui Liang, Siqi Yuan, Teng Tong, Tao Wang","doi":"10.1166/sam.2023.4512","DOIUrl":"https://doi.org/10.1166/sam.2023.4512","url":null,"abstract":"In this study, the conventional Voronoi-based irregular lattice model is regularized by the phase-field method, which effectively introduces a characteristic length parameter to overcome the mesh-size dependent solution. To circumvent the local instability (snap-back) which generally requires sophisticated arc-length control, the so-called phase-field regularized Voronoi-based lattice ( PHL ) model is realized using an explicit finite element solver. Furthermore, the constitutive law of quasi-brittle materials is embraced when establishing the PHL model, which is proven length-scale insensitive. We show that the PHL model with an explicit solver is very robust and computationally efficient, provided with proper parameters and parallel computing. Moreover, the necessary fine mesh size in the implicit phase-field method is greatly released in the explicit PHL model, of which accurate results could be obtained with the coarser mesh size. Several experiments are adopted to demonstrate the model, including the size effect and mix-mode bending of concrete specimens. Cracks’ initiation, propagation, and coalescence could be automatically captured without any tracking algorithms. In addition, it is noteworthy that the model could easily be extended to coupled mechanical and transportation problems.","PeriodicalId":21671,"journal":{"name":"Science of Advanced Materials","volume":"52 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135054364","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This research was aimed to investigate the effect of ropivacaine hydrochloride (RP-HCl) nanoliposome (NLP) on delayed cerebral vasospasm (DCVS) after subarachnoid hemorrhage (SAH) in rabbits. RP-HCl liposomes were prepared with RP-HCl, chloroform-ether, soybean phospholipid, dipalmitoyl phosphatidyl glycerol, and L-lysine 5% glucose solution by secondary emulsification, and blank NLP (without RP-HCl) was constructed at the same time. Additionally, an SAH model was also established by secondary blood injection into the large occipital pool. Forty New Zealand rabbits were randomly assigned into sham operation group (the injected liquid was 0.9% sodium chloride injection), control (Ctrl) group (the injected liquid was autologous blood and sodium chloride injection in sequence), no-load group (the injected liquid was autologous blood and blank liposomes in sequence), drug-loaded group (the injected liquid was autologous blood and RP-HCl NLP in sequence), and conventional group (the injected liquid was sodium chloride injection and ropivacaine in sequence), with eight rabbits in each group. The effects of RP-HCl NLP were analyzed through the changes in mean blood flow velocity (Vm), peak systolic blood flow velocity (Vp), neuron-specific enolase (NSE), S100B, diameter and apoptosis of the basilar artery (BA), vascular endothelial cell (EC) (VEC) endothelin-1 (ET-1), and endothelial nitric oxide synthase (eNOS). Results: the average particle size of RP-HCl NLP was 17.73±3.22 μ m, and the average encapsulation efficiency was 86.40%. Relative to those before modeling, the Vm, Vp, NSE, and S100B levels in the BA of the five groups were increased on the 1st, 5th, and 10th days after modeling ( P <0.05). In contrast to sham group, Vm, Vp, NSE, S100B, ET-1, and the apoptosis index were increased on the 1st, 5th, and 10th days after modeling in the other four groups, while the caliber and eNOS were decreased ( P <0.05). The Vm, Vp, NSE, S100B, ET-1, and apoptosis index on the 1st, 5th, and 10th days after modeling in Ctrl and no-load groups were increased versus drug-loaded group, while the pipe diameter and eNOS were decreased ( P <0.05). In conclusions, RP-HCl NLP can regulate the balance between ET-1 and eNOS, enhance neurological function, alleviate EC apoptosis, and reduce cerebral blood flow velocity to relieve DCVS after SAH.
{"title":"Effect of Ropivacaine Hydrochloride Nanoliposomes on Delayed Cerebral Vasospasm After Subarachnoid Hemorrhage in Rabbits","authors":"Liping Bai, Zifa Zhang","doi":"10.1166/sam.2023.4505","DOIUrl":"https://doi.org/10.1166/sam.2023.4505","url":null,"abstract":"This research was aimed to investigate the effect of ropivacaine hydrochloride (RP-HCl) nanoliposome (NLP) on delayed cerebral vasospasm (DCVS) after subarachnoid hemorrhage (SAH) in rabbits. RP-HCl liposomes were prepared with RP-HCl, chloroform-ether, soybean phospholipid, dipalmitoyl phosphatidyl glycerol, and L-lysine 5% glucose solution by secondary emulsification, and blank NLP (without RP-HCl) was constructed at the same time. Additionally, an SAH model was also established by secondary blood injection into the large occipital pool. Forty New Zealand rabbits were randomly assigned into sham operation group (the injected liquid was 0.9% sodium chloride injection), control (Ctrl) group (the injected liquid was autologous blood and sodium chloride injection in sequence), no-load group (the injected liquid was autologous blood and blank liposomes in sequence), drug-loaded group (the injected liquid was autologous blood and RP-HCl NLP in sequence), and conventional group (the injected liquid was sodium chloride injection and ropivacaine in sequence), with eight rabbits in each group. The effects of RP-HCl NLP were analyzed through the changes in mean blood flow velocity (Vm), peak systolic blood flow velocity (Vp), neuron-specific enolase (NSE), S100B, diameter and apoptosis of the basilar artery (BA), vascular endothelial cell (EC) (VEC) endothelin-1 (ET-1), and endothelial nitric oxide synthase (eNOS). Results: the average particle size of RP-HCl NLP was 17.73±3.22 μ m, and the average encapsulation efficiency was 86.40%. Relative to those before modeling, the Vm, Vp, NSE, and S100B levels in the BA of the five groups were increased on the 1st, 5th, and 10th days after modeling ( P <0.05). In contrast to sham group, Vm, Vp, NSE, S100B, ET-1, and the apoptosis index were increased on the 1st, 5th, and 10th days after modeling in the other four groups, while the caliber and eNOS were decreased ( P <0.05). The Vm, Vp, NSE, S100B, ET-1, and apoptosis index on the 1st, 5th, and 10th days after modeling in Ctrl and no-load groups were increased versus drug-loaded group, while the pipe diameter and eNOS were decreased ( P <0.05). In conclusions, RP-HCl NLP can regulate the balance between ET-1 and eNOS, enhance neurological function, alleviate EC apoptosis, and reduce cerebral blood flow velocity to relieve DCVS after SAH.","PeriodicalId":21671,"journal":{"name":"Science of Advanced Materials","volume":"52 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135054097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This research was aimed to investigate the effects of sufentanil nanoparticles (Suf-NPs) on the proliferation and apoptosis of human lung adenocarcinoma (LUAD) cells, and to provide theoretical support for future drug therapy. Based on the preparation method of solid lipid nanoparticles (SLN), stearic acid and lecithin were used as materials to prepare Suf-NPs. The physical and chemical properties of Suf-NPs were analyzed by scanning electron microscope and particle size analyzer. A549 human LUAD cell line was selected. According to different cell treatment methods, A549 cells were randomly divided into control (Con), sufentanil (Suf), blank SLN, and Suf-NPs groups. Con was cultured routinely, and Suf group was treated with 0.02 μ g/mL sufentanil. Suf-NPs group was treated with Suf-NPs, and the concentration was the same as that in the Suf group. The SLN group was added with blank SLN suspension. CCK8 assay was adopted to test the proliferation inhibition rate (PIR) of A549 cells treated with SUF-NPs. Flow cytometry and dual-color fluorescence microscopy were adopted to detect the apoptosis rate. The expression levels of apoptosis-related proteins P53, Bax, and Bcl-2 were detected by Western blot. The results revealed that the average particle size of Suf-NPs was (113.86±2.03) nm, the zeta potential was (−28.44±1.52) mV, the encapsulation efficiency (PER) was (82.02±3.56) %, and the drug loading (DL) capacity was (50.31±6.49) %. As against Con, the PIR, apoptosis rate, P53, and Bax protein expression was significantly higher ( P <0.001), and Bcl-2 protein was markedly inferior in Suf, SLN, and Suf-NPs groups ( P <0.05). Compared with the Suf, the Suf-NPs group had markedly higher PIR, apoptosis rate, and expression of P53 and Bax proteins ( P < 0.05), and markedly lower expression of Bcl-2 protein ( P <0.05). Suf-NPs can markedly restrain A549 human LUAD cells, promote their apoptosis, and affect the expression of related genes and proteins. It provides a theoretical basis for the future development of Suf-NPs as a drug for the treatment of lung cancer (LC).
{"title":"Effects of Sufentanil Nanoparticles on Proliferation and Apoptosis of Human Lung Adenocarcinoma Cells","authors":"Jing Tan, Jiaqing Cai, Yihu Zhou, Manlin Duan","doi":"10.1166/sam.2023.4548","DOIUrl":"https://doi.org/10.1166/sam.2023.4548","url":null,"abstract":"This research was aimed to investigate the effects of sufentanil nanoparticles (Suf-NPs) on the proliferation and apoptosis of human lung adenocarcinoma (LUAD) cells, and to provide theoretical support for future drug therapy. Based on the preparation method of solid lipid nanoparticles (SLN), stearic acid and lecithin were used as materials to prepare Suf-NPs. The physical and chemical properties of Suf-NPs were analyzed by scanning electron microscope and particle size analyzer. A549 human LUAD cell line was selected. According to different cell treatment methods, A549 cells were randomly divided into control (Con), sufentanil (Suf), blank SLN, and Suf-NPs groups. Con was cultured routinely, and Suf group was treated with 0.02 μ g/mL sufentanil. Suf-NPs group was treated with Suf-NPs, and the concentration was the same as that in the Suf group. The SLN group was added with blank SLN suspension. CCK8 assay was adopted to test the proliferation inhibition rate (PIR) of A549 cells treated with SUF-NPs. Flow cytometry and dual-color fluorescence microscopy were adopted to detect the apoptosis rate. The expression levels of apoptosis-related proteins P53, Bax, and Bcl-2 were detected by Western blot. The results revealed that the average particle size of Suf-NPs was (113.86±2.03) nm, the zeta potential was (−28.44±1.52) mV, the encapsulation efficiency (PER) was (82.02±3.56) %, and the drug loading (DL) capacity was (50.31±6.49) %. As against Con, the PIR, apoptosis rate, P53, and Bax protein expression was significantly higher ( P <0.001), and Bcl-2 protein was markedly inferior in Suf, SLN, and Suf-NPs groups ( P <0.05). Compared with the Suf, the Suf-NPs group had markedly higher PIR, apoptosis rate, and expression of P53 and Bax proteins ( P < 0.05), and markedly lower expression of Bcl-2 protein ( P <0.05). Suf-NPs can markedly restrain A549 human LUAD cells, promote their apoptosis, and affect the expression of related genes and proteins. It provides a theoretical basis for the future development of Suf-NPs as a drug for the treatment of lung cancer (LC).","PeriodicalId":21671,"journal":{"name":"Science of Advanced Materials","volume":"24 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135054092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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