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A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional Molecules
- Source :
- International Journal of Molecular Sciences, Volume 22, Issue 15, International Journal of Molecular Sciences, Vol 22, Iss 8250, p 8250 (2021)
- Publication Year :
- 2021
- Publisher :
- Multidisciplinary Digital Publishing Institute, 2021.
-
Abstract
- Although small water clusters (SWCs) are important in many research fields, efficient methods of preparing SWCs are still rarely reported, which is mainly due to the lack of related materials and understanding of the molecular interaction mechanisms. In this study, a series of functional molecules were added in water to obtain small water cluster systems. The decreasing rate of the half-peak width in a sodium dodecyl sulfate (SDS)–water system reaches ≈20% at 0.05 mM from 17O nuclear magnetic resonance (NMR) results. Based on density functional theory (DFT) and molecular dynamics (MD) simulation calculation, it can be concluded that functional molecules with stronger negative electrostatic potential (ESP) and higher hydrophilicity have a stronger ability to destroy big water clusters. Notably, the concentrations of our selected molecule systems are one to two magnitudes lower than that of previous reports. This study provides a promising way to optimize aqueous systems in various fields such as oilfield development, protein stability, and metal anti-corrosion.
- Subjects :
- Magnetic Resonance Spectroscopy
QH301-705.5
Static Electricity
02 engineering and technology
Molecular Dynamics Simulation
010402 general chemistry
01 natural sciences
Catalysis
Article
Inorganic Chemistry
Metal
chemistry.chemical_compound
Molecular dynamics
Functional importance
functional molecule
Molecule
Water cluster
Physical and Theoretical Chemistry
Sodium dodecyl sulfate
Biology (General)
Molecular Biology
QD1-999
Spectroscopy
Aqueous solution
water cluster
Chemistry
Organic Chemistry
Sodium Dodecyl Sulfate
Water
General Medicine
021001 nanoscience & nanotechnology
0104 chemical sciences
Computer Science Applications
Chemical physics
visual_art
molecular interaction
visual_art.visual_art_medium
Density functional theory
0210 nano-technology
Hydrophobic and Hydrophilic Interactions
Subjects
Details
- Language :
- English
- ISSN :
- 14220067
- Database :
- OpenAIRE
- Journal :
- International Journal of Molecular Sciences
- Accession number :
- edsair.doi.dedup.....fa580566eb2dc3f839b4cd0759fd9aa4
- Full Text :
- https://doi.org/10.3390/ijms22158250