Terahertz spectra of l-phenylalanine and its monohydrate

Pan, Tingting; Li, Shaoping; Zou, Tao; Zheng, Yu; Zhang, Bo; Wang, Chenyang; Zhang, Jianbing; He, Ming; Zhao, Hongwei

doi:10.1016/j.saa.2017.01.050

Cited by 35 publications

(13 citation statements)

References 33 publications

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“…3 was measured at 293 K. Meanwhile, the disparity of the crystals conditions in actual experiments and theoretical simulations also need to be taken into consideration. 11 The crystal cell parameters used for the calculations are derived from crystals recrystallized from aqueous solution. 8 However, the GABA used in our experiment was a commercially obtained powder crystal, and its crystalline quality was not as good as that of recrystallization from solution.…”

Section: Gaba Quantum Chemical Calculationsmentioning

confidence: 99%

“…Studies have shown that terahertz (THz) spectroscopy can be used to successfully distinguish polymorph pharmaceuticals, research the interactions of chemical materials, and quantitatively detect impurities in organic crystals. [11][12][13] Moreover, THz spectroscopy is sensitive to hydrogen bonding, lattice vibration, water of crystallization, and conformational change. 11,14 Hand et al 15 revealed that THz spectroscopy between 1 and 10 THz can obtain more abundant low-frequency vibrational information of molecules, and THz spectra of many biomolecules between 6-9 THz corresponding to the densest transitions between states.…”

Section: Introductionmentioning

confidence: 99%

“…[11][12][13] Moreover, THz spectroscopy is sensitive to hydrogen bonding, lattice vibration, water of crystallization, and conformational change. 11,14 Hand et al 15 revealed that THz spectroscopy between 1 and 10 THz can obtain more abundant low-frequency vibrational information of molecules, and THz spectra of many biomolecules between 6-9 THz corresponding to the densest transitions between states. Compare with the THz systems equipped with solid state emitters and sensors, gases have no phonon resonances or echoes due to THz or optical reections, enabling broadband THz spectroscopy free of instrumental artifacts.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Broadband terahertz recognizing conformational characteristics of a significant neurotransmitter γ-aminobutyric acid

Cheng

Zhu

et al. 2019

RSC Adv.

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Section: Gaba Quantum Chemical Calculationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Broadband terahertz recognizing conformational characteristics of a significant neurotransmitter γ-aminobutyric acid

Cheng

Zhu

et al. 2019

RSC Adv.

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“…Recently, Pan et al. () investigated the low‐frequency vibrational characteristics of l ‐phenylalanine ( l ‐Phe) and its monohydrate form. They observed a distinct THz absorption spectrum for anhydrous and hydrous l ‐Phe.…”

Section: Food Applications Of Thz Spectroscopy and Imagingmentioning

confidence: 99%

A Comprehensive Review on Food Applications of Terahertz Spectroscopy and Imaging

Afsah‐Hejri

Hajeb

Ara

et al. 2019

Comp Rev Food Sci Food Safe

208

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Food product safety is a public health concern. Most of the food safety analytical and detection methods are expensive, labor intensive, and time consuming. A safe, rapid, reliable, and nondestructive detection method is needed to assure consumers that food products are safe to consume. Terahertz (THz) radiation, which has properties of both microwave and infrared, can penetrate and interact with many commonly used materials. Owing to the technological developments in sources and detectors, THz spectroscopic imaging has transitioned from a laboratory‐scale technique into a versatile imaging tool with many practical applications. In recent years, THz imaging has been shown to have great potential as an emerging nondestructive tool for food inspection. THz spectroscopy provides qualitative and quantitative information about food samples. The main applications of THz in food industries include detection of moisture, foreign bodies, inspection, and quality control. Other applications of THz technology in the food industry include detection of harmful compounds, antibiotics, and microorganisms. THz spectroscopy is a great tool for characterization of carbohydrates, amino acids, fatty acids, and vitamins. Despite its potential applications, THz technology has some limitations, such as limited penetration, scattering effect, limited sensitivity, and low limit of detection. THz technology is still expensive, and there is no available THz database library for food compounds. The scanning speed needs to be improved in the future generations of THz systems. Although many technological aspects need to be improved, THz technology has already been established in the food industry as a powerful tool with great detection and quantification ability. This paper reviews various applications of THz spectroscopy and imaging in the food industry.

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“…The THz frequency range is associated with the low-frequency vibrational modes, including the collective vibrations of intermolecular and intramolecular interactions 10 , the phonon modes of crystalline molecules 11 , and in-plane and out-of-plane bending vibrations of many molecules 12 . THz time-domain spectroscopy (THz-TDS) has been utilized in the study of such vibrational characteristics of biomolecules [13][14][15][16][17][18] , as well as in identifying biological functions [19][20][21] , and in applications to biomedical, pharmaceutical, and clinical industries [22][23][24][25][26][27][28][29][30] . Moreover, THz-TDS has been employed to investigate the low-frequency vibrational modes of C and C-MH, because this technique is sensitive to intermolecular interactions, such as hydrogen bonds dependent on molecular conformations and environments.…”

mentioning

confidence: 99%

Transformation of terahertz vibrational modes of cytosine under hydration

Lee

Cheon

Jeong

et al. 2020

Sci Rep

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Cytosine and cytosine monohydrate are representative biomolecules for investigating the effect of hydrogen bonds in deoxyribonucleic acid. to better understand intermolecular interactions, such as hydrogen bonds, between nucleobases it is necessary to identify the low-frequency vibrational modes associated with intermolecular interactions and crystalline structures. in this study, we investigated the characteristic low-frequency vibrational modes of cytosine and cytosine monohydrate using terahertz time-domain spectroscopy (tHz-tDS). the crystal geometry was obtained by the powder X-ray diffraction technique. The optimized atomic positions and the normal modes in the terahertz region were calculated using density functional theory (Dft), which agreed well with the experimental results. We found that overall terahertz absorption peaks of cytosine and cytosine monohydrate consist of collective vibrations mixed with intermolecular and intramolecular vibrations in mode character analysis, and that the most intense peaks of both samples involve remarkable intermolecular translational vibration. these results indicate that tHz-tDS combined with Dft calculations including mode character analysis can be an effective method for understanding how water molecules contribute to the characteristics of the low-frequency vibrational modes by intermolecular vibrations with hydrogen bonding in biological and biomedical applications.

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Terahertz spectra of l-phenylalanine and its monohydrate

Cited by 35 publications

References 33 publications

Broadband terahertz recognizing conformational characteristics of a significant neurotransmitter γ-aminobutyric acid

Broadband terahertz recognizing conformational characteristics of a significant neurotransmitter γ-aminobutyric acid

A Comprehensive Review on Food Applications of Terahertz Spectroscopy and Imaging

Transformation of terahertz vibrational modes of cytosine under hydration

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