Ring‐Stacking Water Clusters: Morphology and Stabilities

Liu, Yang; Ji, Hanyang; Liu, Xiaojie; Lu, Wen‐Cai

doi:10.1002/open.201800284

Cited by 16 publications

(10 citation statements)

References 51 publications

(233 reference statements)

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“…Thus, stable clusters of water molecules should be expected to have at least three hydrogen bonds per molecule. Along these lines, our results could be interpreted within the framework of a recent theoretical investigation of lowest-energy structures of water clusters consisting of arranged or single rings or multiple rings of tetramer, pentamer and hexamer (41). The authors have shown that, when single-ring stacking structures have more than 3 layers, the number of weak hydrogen bonds among the layers increases, thus reducing the stability of the stacked structure.…”

Section: Structuring Of Water Clusterssupporting

confidence: 62%

Spectral analyses of fresh and dry Hypericum perforatum L. Effects with colloidal nano silver 30 ppm

et al. 2022

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Spectral analyses of 1% water extracts of fresh and dry Hypericum perforatum L. and 1% dry H. perforatum with colloidal nano silver (NSPs) 30 ppm were conducted. The nano silver is standardised and patented by the Swiss company Evodrop. Non-equliblrium energy spectrum (NES) and Differential non-equliblrium energy spectrum (DNES) methods were used for the spectral analysis. A comparative analysis of 1% extracts of fresh and dry H. perforatum was performed in order to determine the local extremums for effects of nerve tissue conductivity at (-0.1112) eV, anti-inflammatory (-0.1212) eV, anti-tumor effects (-0.1387) eV. The results showed stimulating effect on the nervous system and improvement of nerve conduction (local extremums E=-0.1112 eV)(?=11.15 ?m) (?=897 cm-1), as well as anti-inflammatory effect (E = -0.1212 eV)( ?=10.23 ?m) (?=978 cm-1) and inhibition of development of tumor cells at a molecular level (E=-0.1387 eV) (?=8.95 ?m) (?=1117 cm-1). It was found that clusters of 16 and 15 water molecules are formed in the water herbal extracts of fresh H. perforatum and of dry H. perforatum with AgNPs 30 ppm. The fresh plant showed better results then the dry one. The addition of colloidal nano silver 30 ppm led to better results of the drug.

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Section: Structuring Of Water Clusterssupporting

confidence: 62%

Spectral analyses of fresh and dry Hypericum perforatum L. Effects with colloidal nano silver 30 ppm

et al. 2022

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“…The averaged bond length of H-bonds in the (H 2 O + O 2 )/p-Gra complex is 2.26 Å, which is close to H-bonds in water clusters. 47,48 To further understand the property of co-adsorption of H 2 O and O 2 on pentagraphene, total and partial density of states are calculated and depicted in Fig. 7(c).…”

Section: Interactions and Electronic Properties Of Molecules On Penta...mentioning

confidence: 99%

Effect of the co-adsorption of small molecules from air on the properties of penta-graphene and their proton transfer calculation

Jin

Lü

Liu

2022

Phys. Chem. Chem. Phys.

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“…Fragments, three-dimensional cage-like building blocks constituted by rings, can elucidate the heterogeneity of hydrogen bond structures and rearrangements 34 . Topologically, water clusters also comprise small cyclic water clusters such as tetramers, pentamers and hexamers 39 , 40 . The topology of water clusters strongly affects the structure and chemistry of clusters 41 , 42 .…”

Section: Introductionmentioning

confidence: 99%

Water clusters and density fluctuations in liquid water based on extended hierarchical clustering methods

Gao

Fang

et al. 2022

Sci Rep

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The microscopic structures of liquid water at ambient temperatures remain a hot debate, which relates with structural and density fluctuations in the hydrogen bond network. Here, we use molecular dynamics simulations of liquid water to study the properties of three-dimensional cage-like water clusters, which we investigate using extended graph-based hierarchical clustering methods. The water clusters can cover over 95% of hydrogen bond network, among which some clusters maximally encompass thousands of molecules extending beyond 3.0 nm. The clusters imply fractal behaviors forming percolating networks and the morphologies of small and large clusters show different scaling rules. The local favored clusters and the preferred connections between adjacent clusters correspond to lower energy and conformational entropy depending on cluster topologies. Temperature can destroy large clusters into small ones. We show further that the interior of clusters favors high-density patches. The water molecules in the small clusters, inside which are the void regarded as hydrophobic objects, have a preference for being more tetrahedral. Our results highlight the properties and changes of water clusters as the fundamental building blocks of hydrogen bond networks. In addition, the water clusters can elucidate structural and density fluctuations on different length scales in liquid water.

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Ring‐Stacking Water Clusters: Morphology and Stabilities

Cited by 16 publications

References 51 publications

Spectral analyses of fresh and dry Hypericum perforatum L. Effects with colloidal nano silver 30 ppm

Spectral analyses of fresh and dry Hypericum perforatum L. Effects with colloidal nano silver 30 ppm

Effect of the co-adsorption of small molecules from air on the properties of penta-graphene and their proton transfer calculation

Water clusters and density fluctuations in liquid water based on extended hierarchical clustering methods

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