Neutron Total Scattering Investigation of the Dissolution Mechanism of Trehalose in Alkali/Urea Aqueous Solution
The atomic picture of cellulose dissolution in alkali/urea aqueous solution is still not clear. To reveal it, we use trehalose as the model molecule and total scattering as the main tool. Three kinds of alkali solution, i.e., LiOH, NaOH and KOH are compared. The most probable all-atom structures of...
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MDPI AG
2022-05-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/11/3395 |
| _version_ | 1797492574347329536 |
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| author | Changli Ma Taisen Zuo Zehua Han Yuqing Li Sabrina Gärtner Huaican Chen Wen Yin Charles C. Han He Cheng |
| author_facet | Changli Ma Taisen Zuo Zehua Han Yuqing Li Sabrina Gärtner Huaican Chen Wen Yin Charles C. Han He Cheng |
| author_sort | Changli Ma |
| collection | DOAJ |
| description | The atomic picture of cellulose dissolution in alkali/urea aqueous solution is still not clear. To reveal it, we use trehalose as the model molecule and total scattering as the main tool. Three kinds of alkali solution, i.e., LiOH, NaOH and KOH are compared. The most probable all-atom structures of the solution are thus obtained. The hydration shell of trehalose has a layered structure. The smaller alkali ions can penetrate into the glucose rings around oxygen atoms to form the first hydration layer. The larger urea molecules interact with hydroxide groups to form complexations. Then, the electronegative complexation can form the second hydration layer around alkali ions via electrostatic interaction. Therefore, the solubility of alkali aqueous solution for cellulose decreases with the alkali cation radius, i.e., LiOH > NaOH > KOH. Our findings are helpful for designing better green solvents for cellulose. |
| first_indexed | 2024-03-10T01:05:38Z |
| format | Article |
| id | doaj.art-9d49aab6eca04ceb8ec66495348727cc |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T01:05:38Z |
| publishDate | 2022-05-01 |
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| series | Molecules |
| spelling | doaj.art-9d49aab6eca04ceb8ec66495348727cc2023-11-23T14:28:03ZengMDPI AGMolecules1420-30492022-05-012711339510.3390/molecules27113395Neutron Total Scattering Investigation of the Dissolution Mechanism of Trehalose in Alkali/Urea Aqueous SolutionChangli Ma0Taisen Zuo1Zehua Han2Yuqing Li3Sabrina Gärtner4Huaican Chen5Wen Yin6Charles C. Han7He Cheng8Institute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing 100049, ChinaInstitute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing 100049, ChinaInstitute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing 100049, ChinaInstitute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing 100049, ChinaSTFC ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX, UKInstitute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing 100049, ChinaInstitute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing 100049, ChinaInstitute for Advanced Study, Shenzhen University, Shenzhen 508060, ChinaInstitute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing 100049, ChinaThe atomic picture of cellulose dissolution in alkali/urea aqueous solution is still not clear. To reveal it, we use trehalose as the model molecule and total scattering as the main tool. Three kinds of alkali solution, i.e., LiOH, NaOH and KOH are compared. The most probable all-atom structures of the solution are thus obtained. The hydration shell of trehalose has a layered structure. The smaller alkali ions can penetrate into the glucose rings around oxygen atoms to form the first hydration layer. The larger urea molecules interact with hydroxide groups to form complexations. Then, the electronegative complexation can form the second hydration layer around alkali ions via electrostatic interaction. Therefore, the solubility of alkali aqueous solution for cellulose decreases with the alkali cation radius, i.e., LiOH > NaOH > KOH. Our findings are helpful for designing better green solvents for cellulose.https://www.mdpi.com/1420-3049/27/11/3395neutron total scatteringcellulosedissolution mechanismlayered structurecomplexation |
| spellingShingle | Changli Ma Taisen Zuo Zehua Han Yuqing Li Sabrina Gärtner Huaican Chen Wen Yin Charles C. Han He Cheng Neutron Total Scattering Investigation of the Dissolution Mechanism of Trehalose in Alkali/Urea Aqueous Solution Molecules neutron total scattering cellulose dissolution mechanism layered structure complexation |
| title | Neutron Total Scattering Investigation of the Dissolution Mechanism of Trehalose in Alkali/Urea Aqueous Solution |
| title_full | Neutron Total Scattering Investigation of the Dissolution Mechanism of Trehalose in Alkali/Urea Aqueous Solution |
| title_fullStr | Neutron Total Scattering Investigation of the Dissolution Mechanism of Trehalose in Alkali/Urea Aqueous Solution |
| title_full_unstemmed | Neutron Total Scattering Investigation of the Dissolution Mechanism of Trehalose in Alkali/Urea Aqueous Solution |
| title_short | Neutron Total Scattering Investigation of the Dissolution Mechanism of Trehalose in Alkali/Urea Aqueous Solution |
| title_sort | neutron total scattering investigation of the dissolution mechanism of trehalose in alkali urea aqueous solution |
| topic | neutron total scattering cellulose dissolution mechanism layered structure complexation |
| url | https://www.mdpi.com/1420-3049/27/11/3395 |
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