Quantum mechanical investigations on the formation of complex organic molecules on interstellar ice mantles. review and perspectives
The interstellar medium (ISM) is rich in molecules, from simple diatomic to complex organic
ones, some of which have a biotic potential. A notable example, in this respect, is …
ones, some of which have a biotic potential. A notable example, in this respect, is …
Synthesis modification of hydroxyapatite surface for ethanol conversion: The role of the acidic/basic sites ratio
Several studies have investigated the acidic/basic sites of the hydroxyapatite (HAP) surface.
However, their specific role in the catalytic properties of HAP is still discussed. Here, we …
However, their specific role in the catalytic properties of HAP is still discussed. Here, we …
Effects of controlled crystalline surface of hydroxyapatite on methane oxidation reactions
Hydroxyapatite (HAP, Ca10 (PO4) 6 (OH) 2) has a hexagonal prismatic structure that
exposes two crystalline surfaces: prism-faceted a-and basal-faceted c-surfaces. In this work …
exposes two crystalline surfaces: prism-faceted a-and basal-faceted c-surfaces. In this work …
[HTML][HTML] Surface immobilization mechanisms of cobalt ions on hydroxyapatite catalyst supports
C Reynaud, C Thomas, D Brouri, Y Millot, A Miche… - Catalysis Today, 2024 - Elsevier
Cobalt deposition in an excess of solution was used to design Co-modified hydroxyapatite
materials with various Co loadings and controlled dispersion. It is rationalized how the …
materials with various Co loadings and controlled dispersion. It is rationalized how the …
Acid-base properties of hydroxyapatite(0001) by the adsorption of probe molecules: An ab initio investigation
AFB Bittencourt, PCD Mendes, GP Valença… - Physical Review …, 2021 - APS
The presence of both acidic and basic adsorption sites on the surface of hydroxyapatite [Ca
10 (PO 4) 6 (OH) 2; HAP] is an interesting property for catalytic applications. Here, we report …
10 (PO 4) 6 (OH) 2; HAP] is an interesting property for catalytic applications. Here, we report …
Water at hydroxyapatite surfaces: the effect of coverage and surface termination as investigated by all-electron B3LYP-D* simulations
Abstract Hydroxyapatite [HA, Ca 10 (PO 4) 6 (OH) 2], the main constituent of bones and teeth
enamels, is a widely studied and employed biomaterial. Its applications span from dental to …
enamels, is a widely studied and employed biomaterial. Its applications span from dental to …
The effect of water on the binding of glycosaminoglycan saccharides to hydroxyapatite surfaces: a molecular dynamics study
SER Hernandez, I Streeter… - Physical Chemistry …, 2015 - pubs.rsc.org
Classical molecular dynamics (MD) simulations have been employed to study the interaction
of the saccharides glucuronic acid (GlcA) and N-acetylgalactosamine (GalNAc) with the …
of the saccharides glucuronic acid (GlcA) and N-acetylgalactosamine (GalNAc) with the …
Transport properties of water molecules confined between hydroxyapaptite surfaces: A Molecular dynamics simulation approach
M Prakash, T Lemaire, D Di Tommaso… - Applied Surface …, 2017 - Elsevier
Water diffusion in the vicinity of hydroxyapatite (HAP) crystals is a key issue to describe
biomineralization process. In this study, a configuration of parallel HAP platelets mimicking …
biomineralization process. In this study, a configuration of parallel HAP platelets mimicking …
Properties and reactivity toward water of a type carbonated apatite and hydroxyapatite surfaces
F Peccati, C Bernocco, P Ugliengo… - The Journal of Physical …, 2018 - ACS Publications
Hydroxyapatite (HA) and carbonated apatite (CAp) constitute the mineral part of biological
hard tissue and are key materials in dental implants and bone regeneration. This work …
hard tissue and are key materials in dental implants and bone regeneration. This work …
A step toward control of the surface structure of biomimetic hydroxyapatite nanoparticles: effect of carboxylates on the {010} P-rich/Ca-rich facets ratio
Two types of biomimetic hydroxyapatite (HA) nanoparticles were prepared by acid–base
neutralization reactions, using Ca (OH) 2 or Ca (CH3COO) 2 as a calcium source, to …
neutralization reactions, using Ca (OH) 2 or Ca (CH3COO) 2 as a calcium source, to …