Paolo Raiteri

1 month ago | pubs.rsc.org | Raffaella Demichelis |Blake Armstrong |Paolo Raiteri |Julian Gale

Atomistic insight into the interaction of aspartic acid species with calcium carbonate: Model development. The development of models that allow access to atomic-scale information is crucial for expanding our understanding of interfacial processes that enable the formation and growth of biominerals in both abiotic and biogeochemical environments.

Oct 10, 2024 | dx.doi.org | Julie Aufort |Blake Armstrong |Paolo Raiteri |Julian Gale

Apr 17, 2024 | nature.com | Julian Gale |Paolo Raiteri |David P. McDonogh

AbstractCalcium orthophosphates (CaPs), as hydroxyapatite (HAP) in bones and teeth are the most important biomineral for humankind. While clusters in CaP nucleation have long been known, their speciation and mechanistic pathways to HAP remain debated. Evidently, mineral nucleation begins with two ions interacting in solution, fundamentally underlying solute clustering. Here, we explore CaP ion association using potentiometric methods and computer simulations.

Sep 26, 2023 | pubs.rsc.org | Alicia Schuitemaker |Katarzyna B Koziara |Paolo Raiteri |Julian Gale

New model for aspartic acid species in aqueous calcium carbonate growth environments: challenges and perspectives The lack of experimental data on the dynamics of aspartic acid species in water for its range of protonation states and the details of their atomic-level interaction with aqueous calcium carbonate species is a driver for accurate force field development.