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Molecular Recognition and Interaction between Uracil and Urea in Solid-State Studied by Terahertz Time-Domain Spectroscopy
Yang, JQ; Li, SX; Zhao, HW; Song, B; Zhang, GX; Zhang, JB; Zhu, YM; Han, JG; zhaohongwei@sinap.ac.cn; jiaghan@tju.edu.cn
2014
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY A
ISSN1089-5639
Volume118Issue:46Pages:10927—10933
AbstractUsing terahertz time-domain spectroscopy characterization, we observe that urea is able to recognize and interact with uracil efficiently even in the solid phase without involving water or solvents. A cocrystal configuration linked by a pair of hydrogen bonds between uracil and urea was formed. The terahertz absorption spectrum of the cocrystal shows a distinct new absorption at 0.8 THz (26.7 cm(1)), which originates from the intermolecular hydrogen bonding. Both mechanical milling and heating can accelerate the reaction efficiently. Density functional theory was adopted to simulate the vibrational modes of the cocrystal, and the results agree well with the experimental observation. Multiple techniques, including powder X-ray diffraction, scanning electron microscopy, and Fourier transform infrared spectroscopy, were performed to investigate the reaction process, and they presented supportive evidence. This work enables in-depth understanding of recognition and interaction of urea with nucleobases and comprehension of the denaturation related to RNA. We also demonstrate that terahertz spectroscopy is an effective and alternative tool for online measurement and quality control in pharmaceutical and chemical industries.
KeywordDensity-functional Theory Proton-transfer Reaction Noncovalent Interactions Induced Denaturation Aqueous Urea Dna Dynamics Nucleobases Cocrystals Absorption
Indexed BySCI
Language英语
WOS IDWOS:000345474500007
Citation statistics
Cited Times:16[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14249
Collection中科院上海应用物理研究所2011-2019年
Corresponding Authorzhaohongwei@sinap.ac.cn; jiaghan@tju.edu.cn
Recommended Citation
GB/T 7714
Yang, JQ,Li, SX,Zhao, HW,et al. Molecular Recognition and Interaction between Uracil and Urea in Solid-State Studied by Terahertz Time-Domain Spectroscopy[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2014,118(46):10927—10933.
APA Yang, JQ.,Li, SX.,Zhao, HW.,Song, B.,Zhang, GX.,...&jiaghan@tju.edu.cn.(2014).Molecular Recognition and Interaction between Uracil and Urea in Solid-State Studied by Terahertz Time-Domain Spectroscopy.JOURNAL OF PHYSICAL CHEMISTRY A,118(46),10927—10933.
MLA Yang, JQ,et al."Molecular Recognition and Interaction between Uracil and Urea in Solid-State Studied by Terahertz Time-Domain Spectroscopy".JOURNAL OF PHYSICAL CHEMISTRY A 118.46(2014):10927—10933.
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