التفاصيل البيبلوغرافية
| العنوان: |
Proton-Coupled Electron Transfer in the Aqueous Nanochannels of Lyotropic Liquid Crystals: Interplay of H‑Bonding and Polarity Effects |
| المؤلفون: |
Konoya Das (6651068), Subrahmanyam Sappati (1656769), Girish Singh Bisht (4752963), Partha Hazra (1451608) |
| سنة النشر: |
2021 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biophysics, Biochemistry, Cell Biology, Biotechnology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, PCET, state proton-coupled electron transfer, LLC water molecules, Proton-Coupled Electron Transfer, DMA 3HF, Lyotropic Liquid Crystals, hydrogen-bonded water wire, ESIPT activation barrier, MD |
| الوصف: |
A molecular-level description of the aqueous nanochannels in lyotropic liquid crystals (LLCs) is crucial for their widespread utilization in diverse fields. Herein, the polarity and hydrogen bonding effects of LLC water molecules have been simultaneously explored using a single probe, 4′-N,N-dimethylamino-3-hydroxyflavone (DMA3HF), by the unique multiparametric sensitivity of the excited state proton-coupled electron transfer (PCET) phenomenon. The decreased ESIPT efficiency and the significantly retarded ESIPT dynamics (>20 times) of DMA3HF in the LLC phases suggests the dominant influence of strong hydrogen-bonded solute–solvent complexes that leads to a high activation barrier for ESIPT in the mesophases. The effects of hydrogen bonding on ESIPT have been elucidated by enhanced sampling techniques based on classical MD simulations of DMA3HF in explicit water. ESIPT via an extended hydrogen-bonded water wire is associated with a significantly high ESIPT activation barrier, substantiating the experimentally observed slow ESIPT dynamics inside the LLCs. |
| نوع الوثيقة: |
article in journal/newspaper |
| اللغة: |
unknown |
| Relation: |
https://figshare.com/articles/journal_contribution/Proton-Coupled_Electron_Transfer_in_the_Aqueous_Nanochannels_of_Lyotropic_Liquid_Crystals_Interplay_of_H_Bonding_and_Polarity_Effects/14195176 |
| DOI: |
10.1021/acs.jpclett.1c00207.s001 |
| الاتاحة: |
https://doi.org/10.1021/acs.jpclett.1c00207.s001 |
| Rights: |
CC BY-NC 4.0 |
| رقم الانضمام: |
edsbas.E2DBE76 |
| قاعدة البيانات: |
BASE |