Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Temperature dependence of amorphous magnesium carbonate structure studied by PDF and XAFS analyses.

ABSTRACT: Mineral trapping through the precipitation of carbonate minerals is a potential approach to reduce CO₂ accumulation in the atmosphere. The temperature dependence of amorphous magnesium carbonate (AMC), a precursor of crystalline magnesium carbonate hydrates, was investigated using synchrotron X-ray scattering experiments with atomic pair distribution function (PDF) and X-ray absorption fine structure analysis. PDF analysis revealed that there were no substantial structural differences among the AMC samples synthesized at 20, 60, and 80 °C. In addition, the medium-range order of all three AMC samples was very similar to that of hydromagnesite. Stirring in aqueous solution at room temperature caused the AMC sample to hydrate immediately and form a three-dimensional hydrogen-bonding network. Consequently, it crystallized with the long-range structural order of nesquehonite. The Mg K-edge X-ray absorption near-edge structure spectrum of AMC prepared at 20 °C was very similar to that of nesquehonite, implying that the electronic structure and coordination geometry of Mg atoms in AMC synthesized at 20 °C are highly similar to those in nesquehonite. Therefore, the short-range order (coordination environment) around the Mg atoms was slightly modified with temperature, but the medium-range order of AMC remained unchanged between 20 and 80 °C.

SUBMITTER: Yamamoto GI

PROVIDER: S-EPMC8613255 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Solubility investigations in the amorphous calcium magnesium carbonate system.

Project description:Amorphous precursors are known to occur in the early stages of carbonate mineral formation in both biotic and abiotic environments. Although the Mg content of amorphous calcium magnesium carbonate (ACMC) is a crucial factor for its temporal stabilization, to date little is known about its control on ACMC solubility. Therefore, amorphous Ca x Mg1-x CO3·nH2O solids with 0 ≤ x ≤ 1 and 0.4 ≤ n ≤ 0.8 were synthesized and dispersed in MgCl2-NaHCO3 buffered solutions at 24.5 ± 0.5 °C. The chemical evolution of the solution and the precipitate clearly shows an instantaneous exchange of ions between ACMC and aqueous solution. The obtained ion activity product for ACMC (IAPACMC = "solubility product") increases as a function of its Mg content ([Mg]ACMC = (1 - x) × 100 in mol%) according to the expression: log(IAPACMC) = 0.0174 (±0.0013) × [Mg]ACMC - 6.278 (±0.046) (R 2 = 0.98), where the log(IAPACMC) shift from Ca (-6.28 ± 0.05) to Mg (-4.54 ± 0.16) ACMC endmember, can be explained by the increasing water content and changes in short-range order, as Ca is substituted by Mg in the ACMC structure. The results of this study shed light on the factors controlling ACMC solubility and its temporal stability in aqueous solutions.

| S-EPMC6336086 | biostudies-literature

Crystal structure and characterization of magnesium carbonate chloride heptahydrate.

Project description:MgCO3·MgCl2·7H2O is the only known neutral magnesium carbonate containing chloride ions at ambient conditions. According to the literature, only small and twinned crystals of this double salt could be synthesised in a concentrated solution of MgCl2. For the crystal structure solution, single-crystal diffraction was carried out at a synchrotron radiation source. The monoclinic crystal structure (space group Cc) exhibits double chains of MgO octahedra linked by corners, connected by carbonate units and water molecules. The chloride ions are positioned between these double chains parallel to the (100) plane. Dry MgCO3·MgCl2·7H2O decomposes in the air to chlorartinite, Mg2(OH)Cl(CO3)·nH2O (n = 2 or 3). This work includes an extensive characterization of the title compound by powder X-ray diffraction, thermal analysis, SEM and vibrational spectroscopy.

| S-EPMC7404730 | biostudies-literature

Temperature oscillation modulated self-assembly of periodic concentric layered magnesium carbonate microparticles.

Project description:Intriguing patterns of periodic, concentric, layered, mineral microstructure are present in nature and organisms, yet they have elusive geneses. We hypothesize temperature oscillation can be an independent factor that causes the self-assembly of such patterns in mineral phases synthesized in solution. Static experiments verify that rhythmic concentric multi-layered magnesium carbonate microhemispheres can be synthesized from bicarbonate solution by temperature oscillation, without use of a chemical template, additive or gel-diffusion system. Appropriate reactant concentration and initial pH value can restrain the competitive growth of other mineral generations. Polarized light microscopy images indicate the microhemispheres are crystalline and the crystallinity increases with incubation time. The thickness of a single mineral layer of microhemisphere in microscale is precisely controlled by the waveform parameters of the temperature oscillation, while the layer number, which can reach tens to about one hundred, is constrained by the temperature oscillation period number. FT-IR spectra show that these microhemispheres synthesized under different conditions can be identified as the basic form of magnesium carbonate, hydromagnesite (Mg5(CO3)4(OH)2 ? 4H2O). SEM images exhibit the characteristic microscopic texture of the alternating dark and light rings of these microhemispheres. TEM images and ED patterns suggest the nanoflakes of microhemispheres are present in polycrystalline form with some degree of oriented assembly. The temperature oscillation modulated self-assembly may offer a new mechanism to understand the formation of layered microstructure of minerals in solution, and provide a non-invasive and programmable means to synthesize hierarchically ordered materials.

| S-EPMC3919819 | biostudies-literature

Molecular modeling of temperature dependence of solubility parameters for amorphous polymers.

Project description:A molecular modeling strategy is proposed to describe the temperature (T) dependence of solubility parameter (?) for the amorphous polymers which exhibit glass-rubber transition behavior. The commercial forcefield "COMPASS" is used to support the atomistic simulations of the polymer. The temperature dependence behavior of ? for the polymer is modeled by running molecular dynamics (MD) simulation at temperatures ranging from 250 up to 650 K. Comparing the MD predicted ? value at 298 K and the glass transition temperature (T(g)) of the polymer determined from ?-T curve with the experimental value confirm the accuracy of our method. The MD modeled relationship between ? and T agrees well with the previous theoretical works. We also observe the specific volume (v), cohesive energy (U(coh)), cohesive energy density (E(CED)) and ? shows a similar temperature dependence characteristics and a drastic change around the T(g). Meanwhile, the applications of ? and its temperature dependence property are addressed and discussed.

| S-EPMC3360869 | biostudies-other

Phase transitions in biogenic amorphous calcium carbonate.

Project description:Crystalline biominerals do not resemble faceted crystals. Current explanations for this property involve formation via amorphous phases. Using X-ray absorption near-edge structure (XANES) spectroscopy and photoelectron emission microscopy (PEEM), here we examine forming spicules in embryos of Strongylocentrotus purpuratus sea urchins, and observe a sequence of three mineral phases: hydrated amorphous calcium carbonate (ACC · H(2)O) ? dehydrated amorphous calcium carbonate (ACC) ? calcite. Unexpectedly, we find ACC · H(2)O-rich nanoparticles that persist after the surrounding mineral has dehydrated and crystallized. Protein matrix components occluded within the mineral must inhibit ACC · H(2)O dehydration. We devised an in vitro, also using XANES-PEEM, assay to identify spicule proteins that may play a role in stabilizing various mineral phases, and found that the most abundant occluded matrix protein in the sea urchin spicules, SM50, stabilizes ACC · H(2)O in vitro.

| S-EPMC3341025 | biostudies-literature

Cave bacteria-induced amorphous calcium carbonate formation.

Project description:Amorphous calcium carbonate (ACC) is a precursor of crystalline calcium carbonates that plays a key role in biomineralization and polymorph evolution. Here, we show that several bacterial strains isolated from a Hungarian cave produce ACC and their extracellular polymeric substance (EPS) shields ACC from crystallization. The findings demonstrate that bacteria-produced ACC forms in water-rich environment at room temperature and is stable for at least half year, which is in contrast to laboratory-produced ACC that needs to be stored in a desiccator and kept below 10 °C for avoiding crystallization. The ACC-shielding EPS consists of lipids, proteins, carbohydrates and nucleic acids. In particular, we identified large amount of long-chain fatty acid components. We suggest that ACC could be enclosed in a micella-like formula within the EPS that inhibits water infiltration. As the bacterial cells lyse, the covering protective layer disintegrates, water penetrates and the unprotected ACC grains crystallize to calcite. Our study indicates that bacteria are capable of producing ACC, and we estimate its quantity in comparison to calcite presumably varies up to 20% depending on the age of the colony. Since diverse bacterial communities colonize the surface of cave sediments in temperate zone, we presume that ACC is common in these caves and its occurrence is directly linked to bacterial activity and influences the geochemical signals recorded in speleothems.

| S-EPMC7251137 | biostudies-literature

The low-temperature structure of diethyl ether magnesium oxybromide.

Project description:The crystal structure of the title compound, hexa-?(2)-bromido-?(4)-oxido-tetra-kis-[(diethyl ether)magnesium], [Mg(4)Br(6)O(C(4)H(10)O)(4)], determined from data measured at 173?K, differs from the previously known structure of diethyl ether magnesium oxybromide, which was determined from room-temperature data [Stucky & Rundle (1964 ?). J. Am. Chem. Soc. 86, 4821-4825]. The title compound crystallizes in the tetra-gonal space group I[Formula: see text], whereas the previously known structure crystallizes in a different tetra-gonal space group, namely P[Formula: see text]2(1)c. Both molecules have crystallographic [Formula: see text] symmetry and show almost identical geometric parameters for the Mg, Br and O atoms. The crystal of the title compound turned out to be a merohedral twin emulating a structure with apparent Laue symmetry 4/mmm, whereas the correct Laue group is just 4/m. The fractional contribution of the minor twin component converged to 0.462?(1).

| S-EPMC3247535 | biostudies-literature

Crystallization kinetics of amorphous calcium carbonate in confinement.

Project description:Phase transformations of carbonates are relevant to a wide range of biological, environmental, and industrial processes. Over the past decade, it emerged that crystallization pathways in these systems can be quite complex. Metastable intermediates such as amorphous calcium carbonate (ACC) were found to greatly impact composition, structure, and properties of more stable phases. However, it has been challenging to create predictive models. Rapid transformation of ACC in bulk has been one obstacle in the determination of nucleation rates. Herein, it is reported that confinement in microfluidic droplets allows separating in time the precipitation of ACC and subsequent nucleation and growth of crystalline CaCO3. An upper limit of 1.2 cm-3 s-1 was determined for the steady-state crystal nucleation rate in the presence of ACC at ambient conditions. This rate has implications for the formation of calcium carbonate in biomineralization, bio-inspired syntheses, and carbon sequestration.

| S-EPMC6530533 | biostudies-literature

Pure hydroxyapatite synthesis originating from amorphous calcium carbonate.

Project description:We report a synthesis strategy for pure hydroxyapatite (HAp) using an amorphous calcium carbonate (ACC) colloid as the starting source. Room-temperature phosphorylation and subsequent calcination produce pure HAp via intermediate amorphous calcium phosphate (ACP). The pre-calcined sample undergoes a competitive transformation from ACC to ACP and crystalline calcium carbonate. The water content, ACC concentration, Ca/P molar ratio, and pH during the phosphorylation reaction play crucial roles in the final phase of the crystalline phosphate compound. Pure HAp is formed after ACP is transformed from ACC at a low concentration (1 wt%) of ACC colloid (1.71 < Ca/P < 1.88), whereas Ca/P = 1.51 leads to pure β-tricalcium phosphate. The ACP phases are precursors for calcium phosphate compounds and may determine the final crystalline phase.

| S-EPMC8173018 | biostudies-literature

Self-assembly of amorphous calcium carbonate microlens arrays.

Project description:Biological materials are often based on simple constituents and grown by the principle of self-assembly under ambient conditions. In particular, biomineralization approaches exploit efficient pathways of inorganic material synthesis. There is still a large gap between the complexity of natural systems and the practical utilization of bioinspired formation mechanisms. Here we describe a simple self-assembly route leading to a CaCO(3) microlens array, somewhat reminiscent of the brittlestars' microlenses, with uniform size and focal length, by using a minimum number of components and equipment at ambient conditions. The formation mechanism of the amorphous CaCO(3) microlens arrays was elucidated by confocal Raman spectroscopic imaging to be a two-step growth process mediated by the organic surfactant. CaCO(3) microlens arrays are easy to fabricate, biocompatible and functional in amorphous or more stable crystalline forms. This shows that advanced optical materials can be generated by a simple mineral precipitation.

| S-EPMC3316890 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data