ROTATIONAL SPECTROSCOPY OF MONOFLUOROETHANOL AGGREGATES WITH ITSELF AND WITH WATER

Xu, Yunjie

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https://hdl.handle.net/2142/79318 Copy

Description

Title

ROTATIONAL SPECTROSCOPY OF MONOFLUOROETHANOL AGGREGATES WITH ITSELF AND WITH WATER

Author(s)

Xu, Yunjie

Contributor(s)

• Jäger, Wolfgang
• Liu, Xunchen
• Huang, Wenyuan
• Thomas, Javix

Issue Date

24-Jun-15

Keyword(s)

Non-covalent interactions

Abstract

Fluoroalcohols are used as common cosolvents for studies of the secondary and tertiary substructures of polypeptides and proteins in aqueous solution. It has been proposed that small fluoroalcohol aggregates are crucial for the protein structural altering process.[1] A rotational spectroscopic study of the monofluoroethanol (MFE) dimer was reported by our group before.[2] In this presentation, we report our recent results on the MFE trimer and MFE-water clusters. We analyze the competitive formation of intra- and intermolecular hydrogen bonds, processes that may be crucial for the changes in protein structure that occur in fluoroalcohol-water solution. We show that the MFE trimer takes on a much different binding topology from the recently reported phenol trimer.[3] The results will also be compared to the closely related 2,2,2-trifluoroethanol systems. [1] H. Reiersen, A. R. Rees, Protein Eng. 2000, 13, 739 � 743. [2] X. Liu, N. Borho, Y. Xu, Chem. Eur. J. 2009, 15, 270 � 277. [3] a) N. A. Seifert, A. L. Steber, J. L. Neill, C. Pﾎrez, D. P. Zaleski, B. H. Pate, A. Lesarri, Phys. Chem. Chem. Phys., 2013, 15, 11468; b) T. Ebata, T. Watanabe, N. Mikami, J. Phys. Chem., 1995, 99, 5761.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

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http://hdl.handle.net/2142/79318

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