Article
Materials Science, Ceramics
Bushra Alhasni
Summary: The structure characteristics of phosphate glasses with different compositions were studied using molecular dynamics simulation. The results of the model showed good agreement with the experimental results, indicating that both sodium and magnesium act as network modifiers. Depolymerization of the glass network was observed upon the addition of magnesium oxide, and there were differences in the coordination numbers of magnesium and sodium.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Chemistry, Multidisciplinary
Inna V. Fadeeva, Dina V. Deyneko, Katia Barbaro, Galina A. Davydova, Margarita A. Sadovnikova, Fadis F. Murzakhanov, Alexander S. Fomin, Viktoriya G. Yankova, Iulian V. Antoniac, Sergey M. Barinov, Bogdan I. Lazoryak, Julietta V. Rau
Summary: Gadolinium-containing calcium phosphates with different synthesis methods have distinct physical and chemical properties, exhibit inhibition effects on bacteria and fungi, and show no toxicity to cells.
Article
Materials Science, Ceramics
Xiaochang Tang, Laiquan Shen, Huaping Zhang, Wanghui Li, Weihua Wang
Summary: Metallic glasses have potential as engineering materials, but their limited ductility is a major challenge. This study investigates the formation of nano-corrugations (NCs) in brittle metallic glasses and proposes a stress-driven cavitation process as the underlying mechanism. The findings shed light on the understanding of dynamic fracture propagation in amorphous materials and have implications for predicting damage development.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Materials Science, Ceramics
Jingping Yan, Yajiao Zhang, Feimei Wang, Caijuan Shi, Fangling Jiang, Lu Deng, Tianfeng Xue, Minzhi Ruan, Zhongdi Li, Shubin Chen, Lili Hu
Summary: In this paper, atomistic structures of sodium aluminophosphate (SAP) glasses were reproduced by molecular dynamics simulations and characterized by experimental methods. The quantitative structure-property relationship (QSPR) analysis showed good correlations between the simulated structures and the experimental properties, indicating the potential of the established structure-property model in predicting certain properties of aluminophosphate glass systems.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Naruporn Monmaturapoj, Theerawat Uanlee, Katanchalee Nampuksa, Anchittha Kasiwat, Chalumkwan Makornpan
Summary: Porous biphasic calcium phosphate scaffolds containing bioactive glass have been prepared, showing improved antibacterial activity, in vitro bioactivity, and mechanical properties. Different amounts of bioactive glass affect the density, shrinkage, and compressive strength of the scaffolds.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Materials Science, Ceramics
Feng Li, Jingqi Zhang, Xinyu Xu, Hui Wang, Liang Feng, Hui Chang
Summary: In this study, molecular dynamics simulations were used to explain the splitting of the second peak in the pair distribution function (PDF) of Cu monatomic metallic glass (MG). The atomic packing in Cu MG exhibits a combination of spherical-periodic order and local translational symmetry. Voronoi tessellation analyses reveal that the dominant cluster is a crystal-like polyhedron <0, 3, 6, 4>. The splitting of the second peak is caused by the diverse connections between atomic clusters, with the first sub-peak originating from face-sharing clusters and the second sub-peak resulting from the alignment of central atoms and sharing atoms of vertex-sharing clusters.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Alfonso Pedone, Valeria Cannillo, Maria Cristina Menziani
Summary: This study used Molecular Dynamics simulations to obtain reliable structural models of different glasses and interpret their behavior and properties. The substitution of sodium oxide with alkaline earth oxides in the traditional 45S5 Bioglass was shown to improve sinterability and mechanical properties while maintaining biocompatibility. The study provides insights on structure-properties relationships in bioactive glasses, offering guidelines for designing innovative compositions with desired properties for specific applications.
Article
Materials Science, Multidisciplinary
El Mahdi Bouabdalli, Mohamed El Jouad, Samira Touhtouh, Abdelowahed Hajjaji
Summary: Phosphate glasses, used in optics, electronics, medicine, and environmental protection, have low chemical durability which can be improved by adding strontium. Molecular dynamics simulations showed that increasing the SrO content in the glass led to increased density and decreased molar volume. The short-range structure of the simulated glasses matched previous experimental and theoretical research, indicating depolymerization of the phosphate network with increased SrO levels.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Engineering, Biomedical
Muyan Qin, Limei Li, Jingxin Ding, Chao Huang, Deping Wang
Summary: Due to advancements in theoretical methods and high performance computing, computer simulations have become a new approach for optimizing novel bioactive glass composition. Molecular dynamics simulations were used to analyze the impact of B/Si molar ratio on borosilicate bioactive glass (BBG) structure and its ions release and biological effects. The study identified that the release of certain ions, like Mg, is regulated by the B/Si ratio. In vitro cellular experiments showed that a specific BBG composition promoted cell proliferation and osteogenic differentiation, possibly due to the early-stage release of Mg.
BIOMEDICAL MATERIALS
(2023)
Article
Multidisciplinary Sciences
Zhen Zhang, Jun Ding, Evan Ma
Summary: Plastic flow in metallic glasses is not caused by identifiable local defect regions. Through a realistic model, we found that shear transformations involve only a small percentage of atoms and their locations and distribution vary under different mechanical loading conditions.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Materials Science, Ceramics
William C. Lepry, Gabriele Griffanti, Showan N. Nazhat
Summary: This study investigated the impact of magnesium content on the structural, textural, and bioactive properties of sol-gel derived borate glass formulations. Results showed that magnesium content up to 10 mol% contributed to high bioactivity, forming hydroxycarbonated apatite within 2 hours in simulated body fluid. However, glasses with over 20 mol% magnesium exhibited reduced specific surface area, pore volume, and bioactive properties. Additionally, viability levels of pre-osteoblastic cells remained similar when magnesium content ranged from 5 to 10 mol%, but increased mortality was observed with magnesium content from 20 to 40 mol%.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Materials Science, Ceramics
Marco Bertani, Annalisa Pallini, Marina Cocchi, Maria Cristina Menziani, Alfonso Pedone
Summary: A new self-consistent empirical potential model has been developed for simulating multicomponent borate and borosilicate glasses. The model utilizes a Bayesian optimization approach to determine parameters related to the B-O interaction based on glass composition. The obtained force field is capable of reproducing various properties and shows excellent agreement with experimental data.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Review
Engineering, Biomedical
Oznur Demir-Oguz, Aldo R. Boccaccini, Dagnija Loca
Summary: Calcium phosphate bone cements (CPCs) have valuable properties such as bioactivity, osteoconductivity, injectability, and moldability, but their low mechanical performance limits their clinical application. Adding bioactive glasses (BGs) as a secondary powder phase can improve the injectable properties of CPCs and enhance the degradation rate, in vitro osteogenic differentiation, cell response, and tissue-material interaction.
BIOACTIVE MATERIALS
(2023)
Article
Materials Science, Ceramics
Yueh-Ting Shih, Siddharth Sundararaman, Simona Ispas, Liping Huang
Summary: New interaction potentials were developed for molecular dynamics simulations to investigate the influence of Mg and Ca on alkaline earth silicates and borates. The elastic moduli of alkaline earth silicate glasses increase with higher modifier content, with magnesium contributing to higher connectivity and more rigid connections compared to calcium. In alkaline earth borates, the presence of N4 leads to a more rigid network structure and higher elastic moduli, particularly in calcium borate.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Materials Science, Multidisciplinary
Hong Li, Qing-Xiang Pei, Zhen-Dong Sha, Paulo S. Branicio
Summary: The study investigates the fracture toughness of metallic glasses, finding that cooling rate and strain rate play a crucial role in increasing toughness. Additionally, the fracture toughness decreases as temperature increases.
MECHANICS OF MATERIALS
(2021)
Article
Pharmacology & Pharmacy
Ana R. Fernandes, Tiago dos Santos, Pedro L. Granja, Elena Sanchez-Lopez, Maria L. Garcia, Amelia M. Silva, Eliana B. Souto
Summary: This study found that using cationic nanoemulsions to deliver triamcinolone acetonide (TA) can reduce the production of tumor necrosis factor alpha (TNF-alpha), which in turn decreases VEGF levels, indicating the potential use of these nanoemulsions for the treatment of age-related macular degeneration (AMD).
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2022)
Article
Engineering, Biomedical
Angela Semitela, Andreia Leal Pereira, Catia Sousa, Alexandrina F. Mendes, Paula A. A. P. Marques, Antonio Completo
Summary: The successful engineering of articular cartilage has proven difficult due to challenges in replicating the complex fibril architecture and cellular distribution of native cartilage. A multi-layer approach alternating between polymer electrospinning and chondrocyte electrospraying has shown promise in addressing this issue and improving mechanical properties of resulting meshes. The addition of Alginate significantly increased chondrocyte viability, highlighting the potential for automated chondrocyte integration in cartilage tissue engineering.
JOURNAL OF BIOMATERIALS APPLICATIONS
(2022)
Article
Biochemistry & Molecular Biology
Angela Semitela, Sara Carvalho, Cristiana Fernandes, Susana Pinto, Sara Fateixa, Helena I. S. Nogueira, Igor Bdikin, Antonio Completo, Paula A. A. P. Marques, Gil Goncalves
Summary: Biomimetics offers great potential for designing a new generation of improved biomaterials, such as the integration of graphene oxide derivatives with marine spongin for bone tissue engineering. The resulting bionanocomposites show high structural and mechanical stability under compression tests, with enhanced bioactivity and potential for in vivo experimentation.
MACROMOLECULAR BIOSCIENCE
(2022)
Article
Cell & Tissue Engineering
Angela Semitela, Goncalo Ramalho, Ana Capitao, Catia Sousa, Alexandrina F. Mendes, Paula A. A. P. Marques, Antonio Completo
Summary: Electrospinning is widely used in fabricating fibrous scaffolds for cartilage tissue engineering. However, small pores in the scaffold restrict cell infiltration. Bio-electrospraying provides a solution by incorporating chondrocytes into the fibers during electrospinning. Through experiments, it was found that chondrocytes survived and functioned well under certain electrospraying conditions. The combination of electrospraying and polymer electrospinning shows promising results for the delivery and development of cellularized cartilage tissue constructs.
JOURNAL OF TISSUE ENGINEERING
(2022)
Article
Engineering, Biomedical
Francisco Conceicao, Daniela M. Sousa, Joshua Loessberg-Zahl, Anke R. Vollertsen, Estrela Neto, Kent Soe, Joana Paredes, Anne Leferink, Meriem Lamghari
Summary: This study introduced a novel humanized organ-on-a-chip model recapitulating neuro-breast cancer crosstalk in a bone metastatic context. The research revealed that synergistic paracrine signaling from sympathetic neurons and osteoclasts increase breast cancer aggressiveness.
MATERIALS TODAY BIO
(2022)
Review
Oncology
Maria Manuela Bras, Susana R. Sousa, Fatima Carneiro, Manfred Radmacher, Pedro L. Granja
Summary: This review discusses the mechanobiology of colorectal cancer (CRC) and explores the relationship between biophysical cues and biochemical pathways. It emphasizes the importance of understanding how mechanical cues influence cell behavior and CRC progression. The role of the tumor microenvironment, extracellular matrix, and stroma are also discussed, as well as the impact of cancer-associated fibroblasts and flow shear stress on CRC metastasis. Insights into how the knowledge of biophysical mechanisms may contribute to the development of new therapeutic strategies and targeting molecules are also presented.
Article
Pharmacology & Pharmacy
Ana R. Fernandes, Lorena B. Vidal, Elena Sanchez-Lopez, Tiago dos Santos, Pedro L. Granja, Amelia M. Silva, Maria L. Garcia, Eliana B. Souto
Summary: Customized cationic oil-in-water nanoemulsions were developed to enhance the bioavailability of poorly water-soluble drugs. The nanoemulsions showed high corneal penetration and stability, and demonstrated significant improvement in ocular inflammation and reduction in the risk of inflammatory processes.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2022)
Article
Polymer Science
Juliana R. Dias, Aureliana Sousa, Ana Augusto, Paulo J. Bartolo, Pedro L. Granja
Summary: PCL is widely used in tissue engineering due to its unique properties. PCL electrospun fiber meshes are expected to have a fast degradation rate. In vitro and in vivo studies showed that lipase can promote the degradation rate of PCL meshes up to 97% in a static medium, while the degradation rate was slower in vivo but the samples were well-integrated with the surrounding tissues.
Article
Biochemistry & Molecular Biology
Helena Salgado, Ana T. P. C. Gomes, Ana S. Duarte, Jose M. F. Ferreira, Carlos Fernandes, Maria Helena Figueiral, Pedro Mesquita
Summary: This study tested the antimicrobial activity and surface roughness of a graphene-enhanced dental resin against Candida albicans and Streptococcus mutans. The increase in graphene concentration resulted in increased surface roughness. Graphene was effective in inhibiting the growth and adhesion of C. albicans and S. mutans.
Article
Engineering, Biomedical
Andreia Leal Pereira, Angela Semitela, Andre F. Girao, Antonio Completo, Paula A. A. P. Marques, Samuel Guieu, Maria Helena V. Fernandes
Summary: One tissue engineering strategy involves creating scaffolds that resemble the extracellular matrix (ECM) to aid tissue regeneration. In this study, a technique called thermally-induced self-agglomeration (TISA) was used to convert two-dimensional electrospun membranes into highly functional three-dimensional porous-fibrous systems, overcoming the limitations of cell infiltration and proliferation. By electrospinning polycaprolactone/chitosan blends and adjusting the amount of chitosan, the researchers were able to modulate the properties of the resulting 3D nanofibrous scaffolds, leading to porous constructs with distinct morphologic and mechanical features. Viability and proliferation studies with adult human chondrocytes confirmed the biocompatibility of the scaffolds, making them promising for musculoskeletal tissue engineering applications, particularly cartilage repair.
JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A
(2023)
Article
Biochemical Research Methods
Daniel A. Ferreira, Joao P. Conde, Mario Rothbauer, Peter Ertl, Pedro L. Granja, Carla Oliveira
Summary: The lack of biomimetic in vitro models delay the development of diagnostic and therapeutic tools for the gastric mucosa. However, recent advances in microengineering have made it possible to create bioinspired microdevices that replicate the physiological properties of an organ. In this study, a bioinspired stomach-on-a-chip (SoC) device is described, which recreates the structure and function of the gastric mucosa. The device simulates the upper epithelial interface and allows for the development of gastric barrier function.
Article
Chemistry, Physical
Liviu Nedelcu, Jose M. F. Ferreira, Adrian-Claudiu Popa, Luminita Amarande, Bo Nan, Liliana-Marinela Balescu, Cezar Dragos Geambasu, Marius-Cristian Cioangher, Lucia Leonat, Mihai Grigoroscuta, Daniel Cristea, Hermine Stroescu, Robert Catalin Ciocoiu, George E. Stan
Summary: This study conducted a comparative analysis of various sintered piezoceramic materials using multi-parametric unitary methods. The aim was to identify the most promising biocompatible piezoelectric material for use in 3D printed macro-porous ceramic scaffolds. The results showed that the BCTZ solid solution had the best combination of functional properties and compatibility with osteoblast cell cultures. Using the selected piezoceramic as a base material, 3D macro-porous scaffolds with promising compressive strength and excellent cell colonization capability were fabricated.
Article
Engineering, Biomedical
Luis Nascimento, Cristiana Fernandes, Ricardo. M. Silva, Angela Semitela, Barbara M. de Sousa, Paula A. A. P. Marques, Sandra I. Vieira, Rui. F. Silva, Nathalie Barroca, Gil Goncalves
Summary: A novel therapeutic approach based on carbon nanotubes (CNTs) is explored in this study to enhance the regeneration of neural cells. Different morphologies of CNTs are created and tested for their ability to stimulate the formation of neurons and networks. The findings provide a new avenue for the construction of electroresponsive scaffolds for neural tissue engineering.
ADVANCED HEALTHCARE MATERIALS
(2023)
Article
Biochemistry & Molecular Biology
Francisco Conceicao, Daniela M. Sousa, Sofia Tojal, Catarina Lourenco, Carina Carvalho-Maia, Helena Estevao-Pereira, Joao Lobo, Marina Couto, Mette M. Rosenkilde, Carmen Jeronimo, Meriem Lamghari
Summary: Sympathetic nervous system and β2-adrenergic receptor are implicated in breast cancer, particularly bone metastasis. Epinephrine levels are elevated in breast cancer patients. Activation of β2-adrenergic receptor inhibits osteoclast differentiation and resorption activity in non-metastatic breast cancer, but not in metastatic bone tropic breast cancer.
Meeting Abstract
Medicine, General & Internal
Daniel A. G. Ferreira, Joao P. Conde, Peter Ertl, Carla Oliveira, Pedro L. Granja
