|
|
|
|
|
|
Raman Spectroscopy Study of Reduced Nicotinamide Adenine Dinucleotide |
HUANG Bin, DU Gong-zhi, HOU Hua-yi*, HUANG Wen-juan, CHEN Xiang-bai* |
Hubei Key Laboratory of Optical Information and Pattern Recognition, Wuhan Institute of Technology, Wuhan 430205, China
|
|
|
Abstract Reduced nicotinamide adenine dinucleotide (NADH) plays a crucial role in many biochemical reactions in human metabolism. Noninvasive and in vivo monitoring of the NADH level in skin tissue is of great interest. In this paper, the Raman scattering experiment and density functional theory (DFT) calculation have been applied to investigate the vibrational properties of NADH in the spectral range of 200~3 300 cm-1. The DFT calculation was performed with hybrid exchange functional using B3LYP functions with a polarized 6-311+G(d,p) basis. To achieve accurate analytical vibrational frequency calculation, the ground-state geometry of NADH molecule was first optimized at B3LYP/6-311+G(d,p) level of theory without any symmetry restrain, and the bond lengths and bond angles of NADH molecule were calculated. Then, the calculated wavenumbers were normally scaled with a necessary wavenumber linear scaling procedure by accounting for anharmonicity in DFT calculation. The DFT calculated spectrum of NADH is in good agreement with the Raman experimental spectrum: a good linear correlation between calculated and experimental wavenumbers has been obtained in the spectral range of 200~3 300 cm-1, and the deviations are smaller than 5 cm-1. In addition, the characteristic vibrational modes of the three parts adenine, nicotinamide, and dinucleotide of NADH molecule have been assigned and discussed, which would be helpful for the noninvasive and in vivo analyses of NADH. The characteristic mode of adenine at 732 cm-1 can be chosen as the most representative model for analyzing NADH. The characteristic mode of nicotinamide at 1 690 cm-1 can be chosen as another representative mode for further analyzing NADH. The characteristic modes of dinucleotide at 1 086 and 1 339 cm-1 can be chosen as a combination for further more accurately analyzing NADH. Therefore, when applying the Raman method for noninvasive and in vivo monitoring of the NADH level in skin tissue, first, the most representative mode at 732 cm-1 can be used for quick analyses, then the mode at 1 690 cm-1 and/or the combination modes of 1 086 and 1 339 cm-1 can be used for further accurate analyses.
|
Received: 2021-04-25
Accepted: 2021-07-23
|
|
Corresponding Authors:
HOU Hua-yi, CHEN Xiang-bai
E-mail: hhy@wit.edu.cn;xchen@wit.edu.cn
|
|
[1] Grivennikova V G, Gladyshev G V, Vinogradov A D. BBA-Bioenergetics, 2020, 1861(8): 148207.
[2] Krysiuk I, Horak I, Shandrenko S. Biotechnologia Acta, 2020, 13(2): 32.
[3] Schwarzmann L, Pliquett R U, Simm A, et al. Bioscience Reports, 2021, 41(1): BSR20200340.
[4] Maynard A G, Kanarek N. Cell Metabolism, 2020, 31(4): 660.
[5] GUO Peng-cheng, XUE Jing-hong, CHEN Xiang-bai(郭鹏程,薛靖虹,陈相柏). Spectroscopy and Spectral Analysis(光谱学与光谱分析),2018, 38(4): 1129.
[6] Chen X B, Guo P C, Huyen N T, et al. Applied Physics Letters, 2017, 110(12): 122405.
[7] Peng H, Wu D X, Hou H Y, et al. Journal of Applied Spectroscopy, 2020, 87(4): 608.
[8] Taplin F, O’Donnell D, Kubic T, et al. Applied Spectroscopy, 2013, 67(10): 1150.
[9] Piotrowski L, Urbaniak M, Jedrzejczak B, et al. Review of Scientific Instruments, 2016, 87(3): 036111.
[10] Sibrecht G, Bugaj O, Filberek P, et al. Postpy Biologii Komórki, 2017, 44(4): 333.
[11] Becke A D. Journal of Chemical Physics, 1996, 104: 1040.
[12] Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 09, Revision B01, 2010.
[13] He H, Zheng Y, Chen H, et al. Science China Chemistry, 2012, 55(8): 1548.
[14] Xie Y, Mukamurezi G, Sun Y, et al. European Food Research and Technology, 2012, 234(6): 1091.
[15] Yue K T, Martin C L, Chen D, et al. Biochemistry, 1986, 25(17): 4941.
|
[1] |
LI Jie, ZHOU Qu*, JIA Lu-fen, CUI Xiao-sen. Comparative Study on Detection Methods of Furfural in Transformer Oil Based on IR and Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 125-133. |
[2] |
WANG Fang-yuan1, 2, HAN Sen1, 2, YE Song1, 2, YIN Shan1, 2, LI Shu1, 2, WANG Xin-qiang1, 2*. A DFT Method to Study the Structure and Raman Spectra of Lignin
Monomer and Dimer[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 76-81. |
[3] |
XING Hai-bo1, ZHENG Bo-wen1, LI Xin-yue1, HUANG Bo-tao2, XIANG Xiao2, HU Xiao-jun1*. Colorimetric and SERS Dual-Channel Sensing Detection of Pyrene in
Water[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 95-102. |
[4] |
WANG Xin-qiang1, 3, CHU Pei-zhu1, 3, XIONG Wei2, 4, YE Song1, 3, GAN Yong-ying1, 3, ZHANG Wen-tao1, 3, LI Shu1, 3, WANG Fang-yuan1, 3*. Study on Monomer Simulation of Cellulose Raman Spectrum[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 164-168. |
[5] |
WANG Lan-hua1, 2, CHEN Yi-lin1*, FU Xue-hai1, JIAN Kuo3, YANG Tian-yu1, 2, ZHANG Bo1, 4, HONG Yong1, WANG Wen-feng1. Comparative Study on Maceral Composition and Raman Spectroscopy of Jet From Fushun City, Liaoning Province and Jimsar County, Xinjiang Province[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 292-300. |
[6] |
LI Wei1, TAN Feng2*, ZHANG Wei1, GAO Lu-si3, LI Jin-shan4. Application of Improved Random Frog Algorithm in Fast Identification of Soybean Varieties[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3763-3769. |
[7] |
WANG Zhi-qiang1, CHENG Yan-xin1, ZHANG Rui-ting1, MA Lin1, GAO Peng1, LIN Ke1, 2*. Rapid Detection and Analysis of Chinese Liquor Quality by Raman
Spectroscopy Combined With Fluorescence Background[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3770-3774. |
[8] |
LIU Hao-dong1, 2, JIANG Xi-quan1, 2, NIU Hao1, 2, LIU Yu-bo1, LI Hui2, LIU Yuan2, Wei Zhang2, LI Lu-yan1, CHEN Ting1,ZHAO Yan-jie1*,NI Jia-sheng2*. Quantitative Analysis of Ethanol Based on Laser Raman Spectroscopy Normalization Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3820-3825. |
[9] |
LU Wen-jing, FANG Ya-ping, LIN Tai-feng, WANG Hui-qin, ZHENG Da-wei, ZHANG Ping*. Rapid Identification of the Raman Phenotypes of Breast Cancer Cell
Derived Exosomes and the Relationship With Maternal Cells[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3840-3846. |
[10] |
LI Qi-chen1, 2, LI Min-zan1, 2*, YANG Wei2, 3, SUN Hong2, 3, ZHANG Yao1, 3. Quantitative Analysis of Water-Soluble Phosphorous Based on Raman
Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3871-3876. |
[11] |
GUO He-yuanxi1, LI Li-jun1*, FENG Jun1, 2*, LIN Xin1, LI Rui1. A SERS-Aptsensor for Detection of Chloramphenicol Based on DNA Hybridization Indicator and Silver Nanorod Array Chip[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3445-3451. |
[12] |
ZHU Hua-dong1, 2, 3, ZHANG Si-qi1, 2, 3, TANG Chun-jie1, 2, 3. Research and Application of On-Line Analysis of CO2 and H2S in Natural Gas Feed Gas by Laser Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3551-3558. |
[13] |
LIU Jia-ru1, SHEN Gui-yun2, HE Jian-bin2, GUO Hong1*. Research on Materials and Technology of Pingyuan Princess Tomb of Liao Dynasty[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3469-3474. |
[14] |
LI Wen-wen1, 2, LONG Chang-jiang1, 2, 4*, LI Shan-jun1, 2, 3, 4, CHEN Hong1, 2, 4. Detection of Mixed Pesticide Residues of Prochloraz and Imazalil in
Citrus Epidermis by Surface Enhanced Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3052-3058. |
[15] |
ZHAO Ling-yi1, 2, YANG Xi3, WEI Yi4, YANG Rui-qin1, 2*, ZHAO Qian4, ZHANG Hong-wen4, CAI Wei-ping4. SERS Detection and Efficient Identification of Heroin and Its Metabolites Based on Au/SiO2 Composite Nanosphere Array[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3150-3157. |
|
|
|
|