Ontology highlight
ABSTRACT:
SUBMITTER: Nicholas TC
PROVIDER: S-EPMC10774122 | biostudies-literature | 2024 Jan
REPOSITORIES: biostudies-literature
Nicholas Thomas C TC Stones Adam Edward AE Patel Adam A Michel F Marc FM Reeder Richard J RJ Aarts Dirk G A L DGAL Deringer Volker L VL Goodwin Andrew L AL
Nature chemistry 20230925 1
Amorphous calcium carbonate is an important precursor for biomineralization in marine organisms. Key outstanding problems include understanding the structure of amorphous calcium carbonate and rationalizing its metastability as an amorphous phase. Here we report high-quality atomistic models of amorphous calcium carbonate generated using state-of-the-art interatomic potentials to help guide fits to X-ray total scattering data. Exploiting a recently developed inversion approach, we extract from t ...[more]