Unravelling Doped Biphasic Calcium Phosphate: Synthesis to Application

Basu, Subhadip; Basu, Bikramjit

doi:10.1021/acsabm.9b00488

Cited by 35 publications

(23 citation statements)

References 418 publications

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“…Due to this fact, many amino acids tend to adsorb on HA surface in their zwitterionic form. 48 An oft-called example is the adsorption of Gly on the HA (010) surface, as iterated in the previous section. 11 The formation of Ca-O and O-Ca-O bonds through proton transfer from amino acid to HA was evident from DFT calculation.…”

Section: Influence Of Electrostatic Interaction Energy On the Adsorptmentioning

confidence: 99%

“…7 Apart from the bond formation, electrostatic interaction between the oppositely charged groups of protein and HA (COOand Ca 2+ ; NH3 + and PO4 3-) also dominates the protein adsorption, as noticed in many cases. 48,16 Another important mode of interaction is water bridge formation between protein and HA. In the case of BMP-2 adsorption on HA (001) surface, water bridged H-bonds were found to dominate the attractive interaction.…”

Section: Influence Of Electrostatic Interaction Energy On the Adsorptmentioning

confidence: 99%

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Electric field mediated fibronectin-hydroxyapatite interaction: A molecular insight

Basu¹,

Gorai

Basu³

et al. 2020

Preprint

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In experimental research driven biomaterials science, the influence of different material properties (elastic stiffness, surface energy, etc.), and to a relatively lesser extent, the biophysical stimulation (electric/magnetic) on the cell-material interaction has been extensively investigated. Considering the central importance of the protein adsorption on cell-material interaction, the role of physiochemical factors on the protein adsorption is also probed. Despite its significance, the quantitative analysis of many such aspects remains largely unexplored in biomaterials science. In recent studies, the critical role of electric field stimulation towards modulation of cell functionality on implantable biomaterials has been experimentally demonstrated. Given this background, we investigated the influence of external electric field stimulation (upto 1.00 V/nm) on fibronectin (FN) adsorption on hydroxyapatite, HA (100) surface at 300K using all-atom MD simulation method. Fibronectin adsorption was found to be governed by the attractive electrostatic interaction, which changed with the electric field strength. Non-monotonous changes in structural integrity of fibronectin were recorded with the change in field strength and direction. This can be attributed to the spatial rearrangement of local charges and global structural changes of the protein. The dipole moment vectors of fibronectin, water and HA quantitatively exhibited similar pattern of orienting themselves parallel to the field direction, with field strength dependent increase in their magnitudes. No significant change has been recorded for radial distribution function of water surrounding fibronectin. Field dependent variation in the salt bridge nets and number of hydrogen bonds between fibronectin and hydroxyapatite were also examined. One of the important results in the context of the cell-material interaction is that the RGD sequence of FN was exposed to solvent side, when the field was applied along a direction outward perpendicular to HA (001) surface. Summarizing, the present study provides quantitative insights into the influence of electric field stimulation on biomolecular interactions involved in fibronectin adsorption on hydroxyapatite surface.

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Section: Influence Of Electrostatic Interaction Energy On the Adsorptmentioning

confidence: 99%

Section: Influence Of Electrostatic Interaction Energy On the Adsorptmentioning

confidence: 99%

Electric field mediated fibronectin-hydroxyapatite interaction: A molecular insight

Basu¹,

Gorai

Basu³

et al. 2020

Preprint

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“…An important number of methods were adopted by researchers to obtain BCP powders. These synthesis techniques can be generally classified into four categories, as follows: dry methods, wet chemical synthesis, high-temperature processing, and synthesis from biogenic resources (Figure 2) [101].…”

Section: From Fish Discards To Powder Preparationmentioning

confidence: 99%

A Review on Biphasic Calcium Phosphate Materials Derived from Fish Discards

2021

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This review summarizes the results reported on the production of biphasic calcium phosphate (BCP) materials derived from fish wastes (i.e., heads, bones, skins, and viscera), known as fish discards, and offers an in-depth discussion on their promising potential for various applications in many fields, especially the biomedical one. Thus, considerable scientific and technological efforts were recently focused on the capability of these sustainable materials to be transformed into economically attractive and highly valuable by-products. As a consequence of using these wastes, plenty of beneficial social effects, with both economic and environmental impact, will arise. In the biomedical field, there is a strong and continuous interest for the development of innovative solutions for healthcare improvement using alternative materials of biogenic origin. Thus, the orthopedic field has witnessed a significant development due to an increased demand for a large variety of implants, grafts, and/or scaffolds. This is mainly due to the increase of life expectancy and higher frequency of bone-associated injuries and diseases. As a consequence, the domain of bone-tissue engineering has expanded to be able to address a plethora of bone-related traumas and to deliver a viable and efficient substitute to allografts or autografts by combining bioactive materials and cells for bone-tissue ingrowth. Among biomaterials, calcium phosphate (CaP)-based bio-ceramics are widely used in medicine, in particular in orthopedics and dentistry, due to their excellent bioactive, osteoconductive, and osteointegrative characteristics. Recently, BCP materials (synthetic or natural), a class of CaP, which consist of a mixture of two phases, hydroxyapatite (HA) and beta tricalcium phosphate (β-TCP), in different concentrations, gained increased attention due to their superior overall performances as compared to single-phase formulations. Moreover, the exploitation of BCP materials from by-products of fish industry was reported to be a safe, cheap, and simple procedure. In the dedicated literature, there are many reviews on synthetic HA, β-TCP, or BCP materials, but to the best of our knowledge, this is the first collection of results on the effects of processing conditions on the morphological, compositional, structural, mechanical, and biological properties of the fish discard-derived BCPs along with the tailoring of their features for various applications.

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“…27 The formation of strong Ca-O bonds was also noticed to mediate the interaction of HA and amino acids in its zwitterionic forms. 54 Because of this reason, zwitterionic forms of many amino acids are prone to get adsorbed on the HA surface, as many studies have reported it previously. 55,23,24 Quantum mechanical calculations reported an evidence of proton transfer from COOHgroup to HA surface during adsorption of Gly on HA (010) surface, resulting in the formation of Ca-O or O-Ca-O bond.…”

Section: Influence Of Sr 2+ Substitution On Adsorption Kineticsmentioning

confidence: 99%

“…It is now well-known that amino acids interact with the inorganic surface through electrostatic interaction and hydrogen bonds. 53,54 For HA, the electrostatic interaction occurs between the oppositely charged groups, i.e. Ca 2+ from HA and COOof amino acids and PO4 3of HA and NH3 + of the protein.…”

Section: Influence Of Sr 2+ Substitution On Adsorption Kineticsmentioning

confidence: 99%

Computational study on Strontium ion modified Fibronectin-Hydroxyapatite interaction

Basu

Maiti

2021

Preprint

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Protein adsorption is the first key step in cell-material interaction. The initial phase of such adsorption process can only be probed using modelling approaches like molecular dynamics (MD) simulation. Despite a large number of studies on the adsorption behaviour of proteins on different biomaterials including hydroxyapatite (HA); little attention has been paid towards quantitative assessment of the effects of various physicochemical influencers like surface modification, pH, and ionic strength. Among these factors, surface modification through isomorphic substitution of foreign ions inside the apatite structure is of particular interest in the context of protein-HA interaction as it is widely used to tailor the biological response of HA. Given this background, we present here the molecular-level understanding of fibronectin (FN) adsorption mechanism and kinetics on Sr2+-doped HA (001) surface, at 300K by means of all atom molecular dynamics simulation. Electrostatic interaction involved in adsorption of FN on HA was found to be significantly modified in presence of Sr2+ doping in apatite lattice. In harmony with the published experimental observations, the Sr-doped surface was found to better support FN adhesion compared to pure HA, with 10 mol% Sr-doped HA exhibiting best FN adsorption. Sr2+ ions also influence the stability of the secondary structure of FN, as observed from the root mean square deviation (RMSD) and root mean square fluctuation (RMSF) analysis. The presence of Sr2+ enhances the flexibility of specific residues (residue no. 20-44, 74-88) of the FN module. Rupture forces to disentangle FN from the biomaterials surface, obtained from steered molecular dynamics (SMD) simulations, were found to corroborate well with the results of equilibrium MD simulations. One particular observation is that, the availability of RGD motif for the interaction with cell surface receptor integrin is not significantly influenced by Sr2+ substitution. Summarizing, the present work establishes a quantitative foundation towards the molecular basis of the earlier experimentally validated better cytocompatibility of Sr-doped HA.

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Unravelling Doped Biphasic Calcium Phosphate: Synthesis to Application

Cited by 35 publications

References 418 publications

Electric field mediated fibronectin-hydroxyapatite interaction: A molecular insight

Electric field mediated fibronectin-hydroxyapatite interaction: A molecular insight

A Review on Biphasic Calcium Phosphate Materials Derived from Fish Discards

Computational study on Strontium ion modified Fibronectin-Hydroxyapatite interaction

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