Molecular dynamics exploration of ion association mechanism of apatite controlled by a nanogrooved hydroxyapatite surface
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Bone Tissue Engineering Materials · Calcium Carbonate Crystallization and Inhibition · Ion-surface interactions and analysis
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (99)
Show source-provided references
1. The material and biological characteristics of osteoinductive calcium phosphate ceramics10.1093/rb/rbx024 ↗
2. Biological and medical significance of calcium phosphates10.1002/1521-3773(20020902)41:17<3130::AID-ANIE3130>3.0.CO;2-1 ↗
3. Calcium phosphates as substitution of bone tissues10.1016/j.progsolidstchem.2004.07.001 ↗
4. Nanodimensional and nanocrystalline apatites and other calcium orthophosphates in biomedical engineering, biology and medicine10.3390/ma2041975 ↗
5. Third-generation biomedical materials10.1126/science.1067404 ↗
6. Design and characterization of calcium phosphate ceramic scaffolds for bone tissue engineering10.1016/j.dental.2015.09.008 ↗
7. The material bone: Structure mechanical function relations10.1146/annurev.matsci.28.1.271 ↗
8. Adhesion formation of primary human osteoblasts and the functional response of mesenchymal stem cells to 330 nm deep microgrooves10.1098/rsif.2008.0035 ↗
9. The Horizon of Materiobiology: A Perspective on Material-Guided Cell Behaviors and Tissue Engineering10.1021/acs.chemrev.6b00654 ↗
10. High-aspect-ratio nanostructured surfaces as biological metamaterials10.1002/adma.201903862 ↗
11. Topography: A Biophysical Approach to Direct the Fate of Mesenchymal Stem Cells in Tissue Engineering Applications10.3390/nano10102070 ↗
12. 3D CaP porous scaffolds with grooved surface topography obtained by the sol-gel method10.1016/j.ceramint.2021.04.158 ↗
13. Surface topography guides morphology and spatial patterning of induced pluripotent stem cell colonies10.1016/j.stemcr.2017.06.016 ↗
14. Alignment of osteoblast-like cells and cell-produced collagen matrix induced by nanogrooves10.1089/ten.2005.11.825 ↗
15. Osteoblast alignment, elongation and migration on grooved polystyrene surfaces patterned by Langmuir-Blodgett lithography10.1016/j.biomaterials.2004.02.068 ↗
16. Critical attributes of nanofibers: Preparation, drug loading, and tissue regeneration10.1016/j.ijpharm.2015.02.043 ↗
17. The attachment and growth behavior of osteoblast-like cells on microtextured surfaces10.1016/S0142-9612(03)00085-1 ↗
18. Effect of microgrooved surface topography on osteoblast maturation and protein adsorption10.1002/jbm.a.35407 ↗
19. The influence of nanoscale grooved substrates on osteoblast behavior and extracellular matrix deposition10.1016/j.biomaterials.2010.01.034 ↗
20. Nanotopographical stimulation of mechanotransduction and changes in interphase centromere positioning10.1002/jcb.21058 ↗
21. Nuclear and cellular alignment of primary corneal epithelial cells on topography10.1002/jbm.a.34417 ↗
22. Calcium phosphate-based osteoinductive materials10.1021/cr800427g ↗
23. Osteoinductive porous titanium implants: Effect of sodium removal by dilute HCl treatment10.1016/j.biomaterials.2005.12.014 ↗
24. Heterotopic bone formed in a synthetic sponge in skin of young pigs10.1038/223088a0 ↗
25. How useful is SBF in predicting in vivo bone bioactivity?10.1016/j.biomaterials.2006.01.017 ↗
26. Intermolecular channels direct crystal orientation in mineralized collagen10.1038/s41467-020-18846-2 ↗
27. First-principles study of hydroxyapatite surfaces and water adsorption10.1103/PhysRevB.78.075427 ↗
28. Water at hydroxyapatite surfaces: the effect of coverage and surface termination as investigated by all-electron B3LYP-D* simulations10.1007/s00214-016-1818-8 ↗
29. Computational study of interfaces between hydroxyapatite and water10.1039/b306358e ↗
30. Environment-controlled water adsorption at hydroxyapatite/collagen interfaces10.1039/D1CP01028J ↗
31. First-principles study of the adsorption of lysine on hydroxyapatite (100) surface10.1016/j.apsusc.2012.01.116 ↗
32. Modelling the interaction of a Hyp-Pro-Gly peptide with hydroxyapatite surfaces in aqueous environment10.1039/B917179G ↗
33. Density functional theory study of the binding of glycine, proline, and hydroxyproline to the hydroxyapatite (0001) and (01(1)over-bar0) surfaces10.1021/la803842g ↗
34. Molecular dynamics simulation of hydroxyapatite-polyacrylic acid interfaces10.1016/j.polymer.2006.11.015 ↗
35. Molecular dynamics simulations of the interaction of citric acid with the hydroxyapatite (0001) and (01(1)over-bar0) surfaces in an aqueous environment10.1039/b710974a ↗
36. Molecular dynamics simulations on the interaction between polymers and hydroxyapatite with and without coupling agents10.1016/j.actbio.2008.11.014 ↗
37. Adsorption of leucine-rich amelogenin protein on hydroxyapatite (001) surface through -COO- claws10.1021/jp0646630 ↗
38. The dynamic behaviours of protein BMP-2 on hydroxyapatite nanoparticles10.1080/08927022.2011.582108 ↗
39. Understanding adsorption-desorption dynamics of BMP-2 on hydroxyapatite (001) surface10.1529/biophysj.106.103168 ↗
40. Computer simulations of fibronectin adsorption on hydroxyapatite surfaces10.1039/c3ra47381c ↗
41. Replica-exchange molecular dynamics simulation of basic fibroblast growth factor adsorption on hydroxyapatite10.1021/jp501463r ↗
42. Structure prediction of protein-solid surface interactions reveals a molecular recognition motif of statherin for hydroxyapatite10.1021/ja074602v ↗
43. Molecular simulation of protein adsorption and desorption on hydroxyapatite surfaces10.1016/j.biomaterials.2007.10.016 ↗
44. Adsorption mechanism of BMP-7 on hydroxyapatite (001) surfaces10.1016/j.bbrc.2007.06.169 ↗
45. Molecular dynamics simulations of collagen adsorption onto grooved rutile surface: The effects of groove width10.1016/j.colsurfb.2014.06.006 ↗
46. Molecular modeling of fibronectin adsorption on topographically nanostructured rutile (110) surfaces10.1016/j.apsusc.2016.05.014 ↗
47. The role of emerging grain boundary at iron surface, temperature and hydrogen on metal dusting initiation10.1016/j.actamat.2017.06.049 ↗
48. Molecular investigations of tripeptide adsorption onto TiO2 surfaces: Synergetic effects of surface nanostructure, hydroxylation and bioactive ions10.1016/j.apsusc.2020.145713 ↗
49. Effects of atomic-level nano-structured hydroxyapatite on adsorption of bone morphogenetic protein-7 and its derived peptide by computer simulation
50. Surface structure of hydroxyapatite from simulated annealing molecular dynamics simulations10.1021/acs.langmuir.5b04667 ↗
51. Molecular dynamics exploration of ordered-to-disordered surface structures of biomimetic hydroxyapatite nanoparticles10.1021/acs.jpcc.8b00178 ↗
52. Effect of hydroxyapatite surface on BMP-2 biological properties by docking and molecular simulation approaches10.1021/acs.jpcb.9b01982 ↗
53. Molecular docking and molecular dynamics simulation studies on the adsorption/desorption behavior of bone morphogenetic protein-7 on the beta-tricalcium phosphate surface10.1039/D0CP01950J ↗
54. Molecular dynamics exploration of the growth mechanism of hydroxyapatite nanoparticles regulated by glutamic acid10.1021/acs.jpcb.1c02447 ↗
55. A solid-state NMR investigation of the structure of nanocrystalline hydroxyapatite10.1002/mrc.1774 ↗
56. Surface hydration and cationic sites of nanohydroxyapatites with amorphous or crystalline surfaces: A comparative study10.1021/jp105971s ↗
57. Crystallinity in apatites: how can a truly disordered fraction be distinguished from nanosize crystalline domains?10.1007/s10856-006-0534-7 ↗
58. Bone mineral: new insights into its chemical composition10.1038/s41598-019-44620-6 ↗
59. Computer simulations of the adsorption of citric acid at hydroxyapatite surfaces10.1016/j.jcrysgro.2006.05.077 ↗
60. Computer simulation of biomolecule-biomaterial interactions at surfaces and interfaces10.1088/1748-6041/10/3/032001 ↗
61. Osteoblast responses to titanium-coated subcellular scaled microgrooves10.1021/acsabm.9b00094 ↗
62. The surface stability and equilibrium crystal morphology of Ni2P nanoparticles and nanowires from an ab initio atomistic thermodynamic approach10.1039/C6CE00584E ↗
63. High-index faceted noble metal nanocrystals10.1021/ar200293n ↗
64. Comparison of simple potential functions for simulating liquid water10.1063/1.445869 ↗
65. How does bone sialoprotein promote the nucleation of hydroxyapatite? A molecular dynamics study using model peptides of different conformations10.1021/la100192z ↗
66. Current views on calcium phosphate osteogenicity and the translation into effective bone regeneration strategies10.1016/j.actbio.2012.07.002 ↗
67. Molecular dynamics simulation of the early stages of nucleation of hydroxyapatite at a collagen template10.1021/cg201092s ↗
68. A molecular dynamics study on the nucleation of calcium phosphate regulated by collagen10.1007/s10853-013-8011-4 ↗
69. Cellulose nanofibrils and mechanism of their mineralization in biomimetic synthesis of hydroxyapatite/native bacterial cellulose nanocomposites: Molecular dynamics simulations10.1021/acs.langmuir.5b03953 ↗
70. Fast parallel algorithms for short-range molecular-dynamics10.1006/jcph.1995.1039 ↗
71. Accurate force field parameters and pH resolved surface models for hydroxyapatite to understand structure, mechanics, hydration, and biological interfaces10.1021/acs.jpcc.5b12504 ↗
72. Charmm - a program for macromolecular energy, minimization, and dynamics calculations10.1002/jcc.540040211 ↗
73. Molecular dynamics exploration of the amorphous surface structures and properties of the biomimetic beta-tricalcium phosphate10.1016/j.apsusc.2019.04.073 ↗
74. Molecular dynamics characterization of Sr-doped biomimetic hydroxyapatite nanoparticles10.1021/acs.jpcc.0c06391 ↗
75. A unified formulation of the constant temperature molecular-dynamics methods10.1063/1.447334 ↗
76. Hockney · 1988
77. Numerical-integration of cartesian equations of motion of a system with constraints - molecular-dynamics of n-alkanes10.1016/0021-9991(77)90098-5 ↗
78. Rattle - a velocity version of the shake algorithm for molecular-dynamics calculations10.1016/0021-9991(83)90014-1 ↗
79. VMD: Visual molecular dynamics10.1016/0263-7855(96)00018-5 ↗
80. PLUMED 2: New feathers for an old bird10.1016/j.cpc.2013.09.018 ↗
81. The influence of micro-topography on cellular-response and the implications for silicone implants10.1163/156856295X00698 ↗
82. Creating low coordination atoms on MoS2/NiS2 heterostructure toward modulating the adsorption of oxygenated intermediates in lithium-oxygen batteries10.1016/j.cej.2022.136311 ↗
83. Impact of surface topography and coating on osteogenesis and bacterial attachment on titanium implants10.1177/2041731418790694 ↗
84. Influence of surface topography and pore architecture of alkali-treated titanium on in vitro apatite deposition10.1016/j.apsusc.2010.01.008 ↗
85. Defect induced asymmetric pit formation on hydroxyapatite10.1021/la801735c ↗
86. Effect of salinity on hydroxyapatite dissolution studied by atomic force microscopy10.1021/jp810414z ↗
87. Microscopic study of hydroxyapatite dissolution as affected by fluoride ions10.1021/la200325d ↗
88. Formation and structure of Ca-deficient hydroxyapatite10.1007/BF02409422 ↗
89. Detection of Posner's clusters during calcium phosphate nucleation: a molecular dynamics study10.1039/C7TB01199G ↗
90. Positively charged bioactive Ti metal prepared by simple chemical and heat treatments10.1098/rsif.2010.0129.focus ↗
91. Nucleation of crystals from solution: Classical and two-step models10.1021/ar800217x ↗
92. CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations10.1063/5.0007045 ↗
93. Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases10.1063/1.2770708 ↗
94. Surface stability and morphology of calcium phosphate tuned by pH values and lactic acid additives: Theoretical and experimental study10.1021/acsami.1c18727 ↗
95. Behavior regulation of adsorbed proteins via hydroxyapatite surface texture control10.1021/jp0768672 ↗
96. Substratum nanotopography and the adhesion of biological cells. Are symmetry or regularity of nanotopography important?10.1016/S0301-4622(01)00247-2 ↗
97. How charged amino acids regulate nucleation of biomimetic hydroxyapatite nanoparticles on the surface of collagen mimetic peptides: Molecular dynamics and free energy investigations10.1021/acs.cgd.0c00353 ↗
98. Adhesion of osteoblasts to a nanorough titanium implant surface
99. Adhesion of osteoblasts to a vertically aligned TiO2 nanotube surface