A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional Molecules

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 w...

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Main Authors:	Shanmeiyu Zhang, Yanyan Zhang, Chongchong Wu, Hui Yang, Qiqi Zhang, Fuyi Wang, Jingyi Wang, Ian Gates, Jinben Wang
Format:	Article
Language:	English
Published:	MDPI AG 2021-07-01
Series:	International Journal of Molecular Sciences
Subjects:	water cluster functional molecule molecular interaction
Online Access:	https://www.mdpi.com/1422-0067/22/15/8250

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spelling	doaj-2f329c9d4d8e477a8c6d88bea0d547bc2021-08-06T15:26:01ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672021-07-01228250825010.3390/ijms22158250A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional MoleculesShanmeiyu Zhang0Yanyan Zhang1Chongchong Wu2Hui Yang3Qiqi Zhang4Fuyi Wang5Jingyi Wang6Ian Gates7Jinben Wang8CAS Key Lab of Colloid, Interface and Chemical Thermodynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, ChinaBeijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Analytical Chemistry for Living Biosystems, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, ChinaDepartment of Chemical and Petroleum Engineering, University of Calgary, Calgary, AB T2N-1N4, CanadaCAS Key Lab of Colloid, Interface and Chemical Thermodynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, ChinaCAS Key Lab of Colloid, Interface and Chemical Thermodynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, ChinaBeijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Analytical Chemistry for Living Biosystems, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, ChinaDepartment of Chemical and Petroleum Engineering, University of Calgary, Calgary, AB T2N-1N4, CanadaDepartment of Chemical and Petroleum Engineering, University of Calgary, Calgary, AB T2N-1N4, CanadaCAS Key Lab of Colloid, Interface and Chemical Thermodynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, ChinaAlthough 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 <sup>17</sup>O 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.https://www.mdpi.com/1422-0067/22/15/8250water clusterfunctional moleculemolecular interaction
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Shanmeiyu Zhang Yanyan Zhang Chongchong Wu Hui Yang Qiqi Zhang Fuyi Wang Jingyi Wang Ian Gates Jinben Wang
spellingShingle	Shanmeiyu Zhang Yanyan Zhang Chongchong Wu Hui Yang Qiqi Zhang Fuyi Wang Jingyi Wang Ian Gates Jinben Wang A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional Molecules International Journal of Molecular Sciences water cluster functional molecule molecular interaction
author_facet	Shanmeiyu Zhang Yanyan Zhang Chongchong Wu Hui Yang Qiqi Zhang Fuyi Wang Jingyi Wang Ian Gates Jinben Wang
author_sort	Shanmeiyu Zhang
title	A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional Molecules
title_short	A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional Molecules
title_full	A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional Molecules
title_fullStr	A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional Molecules
title_full_unstemmed	A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional Molecules
title_sort	facile strategy to prepare small water clusters via interacting with functional molecules
publisher	MDPI AG
series	International Journal of Molecular Sciences
issn	1661-6596 1422-0067
publishDate	2021-07-01
description	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 <sup>17</sup>O 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.
topic	water cluster functional molecule molecular interaction
url	https://www.mdpi.com/1422-0067/22/15/8250
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A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional Molecules

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