CAS OpenIR  > 中科院上海应用物理研究所2011-2020年
Terahertz study of L-asparagine and its monohydrate
Yang, JQ; Li, SX; Zhao, HW; Zhang, JB; Yang, N; Jing, DD; Wang, CY; Han, JG;;
AbstractLow-frequency collective vibrational modes of biomolecules which often lie in terahertz (THz) band, make the terahertz time-domain spectroscopy (THz-TDS) an important technique for molecular identification and medicine quality inspection. Distinctive THz spectra between L-asparagine and its monohydrate were observed and the dehydration process of L-asparagine monohydrate was tracked by THz-TDS. Experiments indicate that THz wave is sensitive to phase transitions in crystals, dehydration process, and weak molecular interactions. Multi-techniques including differential scanning calorimetry and thermogravimetry, Fourier transform infrared spectroscopy, and powder X-ray diffraction are performed to investigate the thermodynamic properties, intermolecular and intramolecular vibrations, and molecular packing patterns of L-asparagine and its monohydrate. These measurements support the reliability of THz spectroscopy. To simulate and analyse the vibration modes of L-asparagine monohydrate, density functional theory calculations are performed using a Perdew Burke and Ernzerhof generalized gradient approach; the results agree well with the experimental observations.
KeywordTime-domain Spectroscopy Density-functional Theory Solid-state Vibrational-modes Amino-acids Spectra Relaxation
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WOS IDWOS:000338765700013
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Yang, JQ,Li, SX,Zhao, HW,et al. Terahertz study of L-asparagine and its monohydrate[J]. ACTA PHYSICA SINICA,2014,63(13).
APA Yang, JQ.,Li, SX.,Zhao, HW.,Zhang, JB.,Yang, N.,...& study of L-asparagine and its monohydrate.ACTA PHYSICA SINICA,63(13).
MLA Yang, JQ,et al."Terahertz study of L-asparagine and its monohydrate".ACTA PHYSICA SINICA 63.13(2014).
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