Related papers: Additives Influence the Phase Behavior of Calcium …
Amorphous calcium carbonate (ACC) is an important precursor for biomineralisation in marine organisms. Among the key outstanding problems regarding ACC are how best to understand its structure and how to rationalise its metastability as an…
Carefully designed micro and nanocarriers can provide significant advantages over conventional macroscopic counterparts in biomedical applications. The set of requirements including a high loading capacity, triggered release mechanisms,…
The usability of enzymatically induced calcium carbonate precipitation (EICP) as a method for altering porous-media properties, soil stabilization, or biocementation depends on our ability to predict the spatial distribution of the…
Although the polymorphism of calcium carbonate is well known, and its polymorphs-calcite, aragonite, and vaterite-have been highly studied in the context of biomineralization, polyamorphism is a much more recently discovered phenomenon, and…
The effects of calcein, a marker commonly used to assess mineral growth in calcifying organism, on calcite and aragonite structure have been investigated. Calcein is entrapped within calcite and aragonite and modifies the shape and…
CaCO3 crystals' physical properties, such as polymorphism and hence the reflectivity and stability, are critical factors of their qualities in industrial applications. Factors such as additives and substrates that influence CaCO3…
Calcium carbonate (CaCO3) was synthesized from diverse water-free alcohol solutions, resulting in the formation of vaterite and calcite precipitates, or stable particle supensions, with dimension and morphology depending upon the condition…
Calcium carbonate plays a crucial role in the global carbon cycle, and its phase diagram has always been of significant scientific interest. In this study, we used molecular dynamics (MD) to investigate several structural phase transitions…
Calcium sulfate minerals are found under the form of three crystalline phases: gypsum (CaSO4.2H2O), bassanite (CaSO4.0.5H2O), and anhydrite (CaSO4). Due to its relevance in natural and industrial processes, the formation pathways of these…
We present calculated cross sections and rate coefficients for the formation of the dicarbon cation (C$_2^+$) by the radiative association process in collisions of a C$(^3P)$ atom and a C$^+(^2P^o)$ ion. Molecular structure calculations for…
Electrostatic interactions involving proteins depend not just on the ionic charges involved but also on their chemical identities. Here we examine the origins of incompletely understood differences in the strength of association of…
Proteins' fuzziness are features for communicating changes in cell signaling instigated by binding with secondary messengers, such as calcium ions, associated with the coordination of muscle contraction, neurotransmitter release, and gene…
Polyelectrolytes, such as polyacrylic acid (PAA), can effectively mitigate $\mathrm{CaCO_3}$ scale formation. Despite their success as antiscalants, the underlying mechanism of $\mathrm{Ca^{2+}}$ binding to polyelectrolyte chains remains…
Potassium and sodium ions are crucial for many physiological processes in living systems and play different roles when interacting with proteins and enzymes. Intracellular concentration of potassium is always maintained higher than that of…
Incorporation of guest additives within inorganic single crystals offers a unique strategy for creating nanocomposites with tailored properties. While anionic additives have been widely used to control the properties of crystals, their…
Experiments with cold ion-atom mixtures have recently opened the way for the production and application of ultracold molecular ions. Here, in a comparative study, we theoretically investigate ground and several excited electronic states and…
A first principles machine learning model has been developed aimed at studying the formation of calcium carbonate from aqueous solution using molecular dynamics simulations. The model, dubbed SCAN-ML, reproduces accurately the potential…
Calcium carbonate is a model system to investigate the mechanism of solid formation by precipitation from solutions, and it is often considered in the debated classical and non-classical nucleation mechanism. Despite the great scientific…
In this work we consider the semi-batch process of precipitation of calcium carbonate solids from a solution containing calcium ions by adjusting the pH of the solution. The change in pH is induced either by the addition of alkaline…
Crystallization of biological molecules has high potential to solve some challenges in drug manufacturing. Thus, understanding the process is critical to efficiently adapting crystallization to biopharmaceutical manufacturing. This article…