Solvent Organization Around the Noncanonical Part of Tyrosine Modulates Its Fluorescence Properties
作者： Tonima Nandy , Saptarsi Mondal , Prashant Chandra Singh
DOI: 10.1039/C8CP06410E
关键词:
摘要: Noncanonical amino acids are important molecules that enhance the functionality of proteins, and they also intensively used in therapeutics. In this paper, we have investigated fluorescence properties noncanonical acid 2-(trifluoromethyl) tyrosine (TFTyr) three different alcohols, namely ethanol (ETH), monofluoroethanol (MFE), trifluoroethanol (TFE), using spectroscopy, quantum chemical calculations MD simulations. Further, compared its with those canonical derivative (Tyr) same solvents to understand role -CF3 group TFTyr. The excited state lifetime Tyr decreases monotonically fluorination ETH, whereas trend is opposite case calculated emission maxima different-sized clusters TFTyr TFE, as well comparison experimental values, suggest FF, O-HO N-HO interactions significant. Quantum simulations alcohols a preferred orientation around very sensitive mode interaction alcohols. This study suggests can be potential candidate for exploring solvent environments several biological processes.
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