Probing the surface activity of hydroxyapatite nanoparticles through their interaction with water molecules
Hydroxyapatite nanoparticles (nano-HAPs) are often used to promote the performance of various biomaterials, but their surface activity can be hardly evaluated directly. An indirect approach of using water molecules as a probe to measure the surface activity of nano-HAPs is proposed in this work. The...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2020-06-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0010750 |
| _version_ | 1818260161162117120 |
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| author | Xia Wang Hong Wu Xiajie Cheng Mingli Yang Li Zhang |
| author_facet | Xia Wang Hong Wu Xiajie Cheng Mingli Yang Li Zhang |
| author_sort | Xia Wang |
| collection | DOAJ |
| description | Hydroxyapatite nanoparticles (nano-HAPs) are often used to promote the performance of various biomaterials, but their surface activity can be hardly evaluated directly. An indirect approach of using water molecules as a probe to measure the surface activity of nano-HAPs is proposed in this work. The interaction of nano-HAPs with their surrounding water molecules is studied by using a two-step simulation for the isothermal–isobaric and canonical ensembles successively. A part of water molecules forms a dense and structured layer around the particle, while the remaining molecules are in a disordered state. The particles annealed under high temperature show a lower activity toward water than the corresponding unannealed ones. Moreover, the small-sized particles possess greater interaction energy with water molecules than the large-sized particles, which indirectly reflects the higher activity of small-sized HAPs. Our computations not only suggest a new approach to study the surface activity of nanoparticles but also address the structure–activity relationship of nano-HAPs, which would be useful for regulating the surface activity of HAP-based biomaterials. |
| first_indexed | 2024-12-12T18:26:56Z |
| format | Article |
| id | doaj.art-c3ef0dd9b87341bc8ca2b560c6b0bf5b |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-12T18:26:56Z |
| publishDate | 2020-06-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-c3ef0dd9b87341bc8ca2b560c6b0bf5b2022-12-22T00:16:00ZengAIP Publishing LLCAIP Advances2158-32262020-06-01106065217065217-910.1063/5.0010750Probing the surface activity of hydroxyapatite nanoparticles through their interaction with water moleculesXia Wang0Hong Wu1Xiajie Cheng2Mingli Yang3Li Zhang4Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, ChinaInstitute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, ChinaInstitute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, ChinaResearch Center for Materials Genome Engineering, Sichuan University, Chengdu 610065, ChinaInstitute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, ChinaHydroxyapatite nanoparticles (nano-HAPs) are often used to promote the performance of various biomaterials, but their surface activity can be hardly evaluated directly. An indirect approach of using water molecules as a probe to measure the surface activity of nano-HAPs is proposed in this work. The interaction of nano-HAPs with their surrounding water molecules is studied by using a two-step simulation for the isothermal–isobaric and canonical ensembles successively. A part of water molecules forms a dense and structured layer around the particle, while the remaining molecules are in a disordered state. The particles annealed under high temperature show a lower activity toward water than the corresponding unannealed ones. Moreover, the small-sized particles possess greater interaction energy with water molecules than the large-sized particles, which indirectly reflects the higher activity of small-sized HAPs. Our computations not only suggest a new approach to study the surface activity of nanoparticles but also address the structure–activity relationship of nano-HAPs, which would be useful for regulating the surface activity of HAP-based biomaterials.http://dx.doi.org/10.1063/5.0010750 |
| spellingShingle | Xia Wang Hong Wu Xiajie Cheng Mingli Yang Li Zhang Probing the surface activity of hydroxyapatite nanoparticles through their interaction with water molecules AIP Advances |
| title | Probing the surface activity of hydroxyapatite nanoparticles through their interaction with water molecules |
| title_full | Probing the surface activity of hydroxyapatite nanoparticles through their interaction with water molecules |
| title_fullStr | Probing the surface activity of hydroxyapatite nanoparticles through their interaction with water molecules |
| title_full_unstemmed | Probing the surface activity of hydroxyapatite nanoparticles through their interaction with water molecules |
| title_short | Probing the surface activity of hydroxyapatite nanoparticles through their interaction with water molecules |
| title_sort | probing the surface activity of hydroxyapatite nanoparticles through their interaction with water molecules |
| url | http://dx.doi.org/10.1063/5.0010750 |
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