Ion formation mechanism of cortisone molecules and clusters in charged nanodroplets
文献类型：期刊论文
| 作者 | Jiang, Shuai3; Apsokardu, Michael J.2; Liu, Yi-Rong3 ; Wang, Chun-Yu3; Huang, Teng1; Johnston, Murray V.2
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| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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| 出版日期 | 2022-11-23 |
| 卷号 | 24 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/d2cp04615f |
| 通讯作者 | Jiang, Shuai(shuaijiang@ustc.edu.cn) ; Johnston, Murray V.(mvj@udel.edu) |
| 英文摘要 | Mass spectrometry measurements coupled with classical molecular dynamics (MD) simulations have been conducted in recent years to understand the final stage of ion formation in electrospray ionization (ESI). Here, to characterize the ion formation mechanism in the recently developed droplet-assisted ionization (DAI) source, MD simulations with various conditions (solute number, temperature, ions, composition) were performed to help explain DAI-based measurements. The specific binding ability of cortisone with preformed ions (ions of sodium, cesium and iodide) in evaporating nanodroplets makes the ion formation process characteristic of both the ion evaporation and charge residue models (IEM and CRM, respectively). Most preformed ions are ejected with dozens of solvent molecules to form gas-phase ions by IEM, while clusters of one or more cortisone molecules with one or more preformed ions remain in the evaporating droplet to form gas-phase ions by CRM. As the ratio of cortisone molecules to preformed ions increases, the number of preformed ions held in the droplet without ejection by the IEM increases. In other words, increasing the molecular solute to preformed ion ratio in the droplet increases the fraction of gas-phase ions formed by CRM relative to IEM. The increase in CRM relative to IEM is accompanied by an increase in the calculated activation energy barrier, which can explain the activation energy measurements by DAI, where droplets without preformed ions exhibit higher activation energies for gas-phase ion formation than droplets containing large numbers of preformed ions. |
| WOS关键词 | ELECTROSPRAY-IONIZATION ; POTENTIAL FUNCTIONS ; PARTICLE FORMATION ; EVAPORATION ; DROPLETS ; ENERGY ; PROTEINS ; GROWTH ; BEAMS |
| 资助项目 | National Natural Science Foundation of China ; [41877305] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| 出版者 | ROYAL SOC CHEMISTRY |
| WOS记录号 | WOS:000885141200001 |
| 资助机构 | National Natural Science Foundation of China |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/130305]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Jiang, Shuai; Johnston, Murray V. |
| 作者单位 | 1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Lab Atmospher Physico Chem, Hefei 230031, Anhui, Peoples R China 2.Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA 3.Univ Sci & Technol China, Sch Informat Sci & Technol, Hefei 230026, Anhui, Peoples R China |
| 推荐引用方式 GB/T 7714 | Jiang, Shuai,Apsokardu, Michael J.,Liu, Yi-Rong,et al. Ion formation mechanism of cortisone molecules and clusters in charged nanodroplets[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2022,24. |
| APA | Jiang, Shuai,Apsokardu, Michael J.,Liu, Yi-Rong,Wang, Chun-Yu,Huang, Teng,&Johnston, Murray V..(2022).Ion formation mechanism of cortisone molecules and clusters in charged nanodroplets.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,24. |
| MLA | Jiang, Shuai,et al."Ion formation mechanism of cortisone molecules and clusters in charged nanodroplets".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24(2022). |
入库方式： OAI收割
来源：合肥物质科学研究院
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