Molecular Dynamics Characterization of Sr-Doped Biomimetic Hydroxyapatite Nanoparticles

2020 ◽  
Vol 124 (36) ◽  
pp. 19704-19715
Author(s):  
Qingyu Liu ◽  
Zhiyu Xue ◽  
Dingguo Xu
Keyword(s):  
Molecular Dynamics ◽  
Hydroxyapatite Nanoparticles ◽  
Biomimetic Hydroxyapatite

Fabrication and characterization of polymer–ceramic nanocomposites containing pluronic F127 immobilized on hydroxyapatite nanoparticles

RSC Advances ◽  
2016 ◽  
Vol 6 (84) ◽  
pp. 80564-80575 ◽  
Author(s):  
Mohammad Masoud Mirhosseini ◽  
Vahid Haddadi-Asl ◽  
Seyed Shahrooz Zargarian
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Nanofibrous Scaffold ◽  
Pluronic F127 ◽  
Dynamics Simulation ◽  
Hydroxyapatite Nanoparticles ◽  
Polymer Interactions ◽  
Fabrication And Characterization ◽  
Ceramic Nanocomposites

Synthesis and embedding of HA-F127 nanoparticles into a PCL/P123 nanofibrous scaffold plus molecular dynamics simulation of pristine and modified HA/polymer interactions.

Molecular Dynamics Exploration of Ordered-to-Disordered Surface Structures of Biomimetic Hydroxyapatite Nanoparticles

2018 ◽  
Vol 122 (12) ◽  
pp. 6691-6703 ◽  
Author(s):  
Qing Xie ◽  
Zhiyu Xue ◽  
Haojie Gu ◽  
Cuifang Hu ◽  
Mingli Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Surface Structures ◽  
Hydroxyapatite Nanoparticles ◽  
Biomimetic Hydroxyapatite

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

2019 ◽  
Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electronic Excitation ◽  
Ring Structure ◽  
Molecular Properties ◽  
Molecular Vibration ◽  
Full Characterization ◽  
Long Time ◽  
Almost All

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

2019 ◽  
Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electronic Excitation ◽  
Ring Structure ◽  
Molecular Properties ◽  
Molecular Vibration ◽  
Full Characterization ◽  
Long Time ◽  
Almost All

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.

Correlative experimental and theoretical characterization of transition metal doped hydroxyapatite nanoparticles fabricated by hydrothermal method

2021 ◽  
Vol 173 ◽  
pp. 110911
Author(s):  
Anastasia V. Sadetskaya ◽  
Natalia P. Bobrysheva ◽  
Mikhail G. Osmolowsky ◽  
Olga M. Osmolovskaya ◽  
Mikhail A. Voznesenskiy
Keyword(s):  
Transition Metal ◽  
Hydrothermal Method ◽  
Hydroxyapatite Nanoparticles ◽  
Theoretical Characterization ◽  
Metal Doped

scholarly journals Electrochemical Investigation of Curcumin–DNA Interaction by Using Hydroxyapatite Nanoparticles–Ionic Liquids Based Composite Electrodes

Materials ◽  
2021 ◽  
Vol 14 (15) ◽  
pp. 4344
Author(s):  
Merve Uca ◽  
Ece Eksin ◽  
Yasemin Erac ◽  
Arzum Erdem
Keyword(s):  
Electrochemical Impedance ◽  
Differential Pulse ◽  
Dna Interaction ◽  
Composite Electrodes ◽  
Hydroxyapatite Nanoparticles ◽  
Graphite Electrodes ◽  
X Ray ◽  
Pulse Voltammetry ◽  
Polymerase Chain

Hydroxyapatite nanoparticles (HaP) and ionic liquid (IL) modified pencil graphite electrodes (PGEs) are newly developed in this assay. Electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and cyclic voltammetry (CV) were applied to examine the microscopic and electrochemical characterization of HaP and IL-modified biosensors. The interaction of curcumin with nucleic acids and polymerase chain reaction (PCR) samples was investigated by measuring the changes at the oxidation signals of both curcumin and guanine by differential pulse voltammetry (DPV) technique. The optimization of curcumin concentration, DNA concentration, and the interaction time was performed. The interaction of curcumin with PCR samples was also investigated by gel electrophoresis.

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