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同型半胱氨酸的高斯数值分析与太赫兹光谱测量

Gaussian numerical analysis and terahertz spectroscopic measurement of homocysteine.

作者信息

Li Tian, Ma Hongyun, Peng Yan, Chen Xiaohong, Zhu Zhi, Wu Xu, Kou Tianyi, Song Bin, Guo Shiwei, Liu Lizhuang, Zhu Yiming

机构信息

Terahertz Technology Innovation Research Institute, Shanghai Key Lab of Modern Optical System, University of Shanghai for Science and Technology, Shanghai 200093, China.

Department of Pancreatic Surgery, Changhai Hospital, Second Military Medical University, Shanghai, China.

出版信息

Biomed Opt Express. 2018 Oct 16;9(11):5467-5476. doi: 10.1364/BOE.9.005467. eCollection 2018 Nov 1.

DOI:10.1364/BOE.9.005467
PMID:30460140
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6238945/
Abstract

Homocysteine is an amino acid related to metabolism in human vivo, which is closely related to cardiovascular disease, senile dementia, bone fracture, et al. Currently, the usual medical test methods for homocysteine include high performance liquid chromatography (HPLC), fluorescence polarization immunoassay (FPIA) and enzyme-linked immunosorbent assay (ELISA), which are time-consuming or expensive. In this paper, we first analyze the vibration and rotation of homocysteine molecules by using density functional theory, and then we ensure that the theoretical absorption peaks are located in the range of the terahertz spectrum. Then, based on the terahertz time-domain spectroscopy system, we measured the absorption spectrum of homocysteine under different concentrations. It is found that as the detection of the concentration, the terahertz results present higher accuracy than that of the laser Raman spectrum, which can be used as the reference for the evaluation of pathological stage. These results are of great significance for the exact and quick diagnosis of homocysteine-related diseases in clinical medicine.

摘要

同型半胱氨酸是人体内与新陈代谢相关的一种氨基酸,它与心血管疾病、老年痴呆症、骨折等密切相关。目前,检测同型半胱氨酸的常用医学检测方法包括高效液相色谱法(HPLC)、荧光偏振免疫分析法(FPIA)和酶联免疫吸附测定法(ELISA),这些方法耗时或昂贵。在本文中,我们首先利用密度泛函理论分析同型半胱氨酸分子的振动和转动,然后确定理论吸收峰位于太赫兹光谱范围内。接着,基于太赫兹时域光谱系统,我们测量了不同浓度下同型半胱氨酸的吸收光谱。研究发现,随着浓度检测,太赫兹结果比激光拉曼光谱具有更高的准确性,可作为评估病理阶段的参考。这些结果对于临床医学中同型半胱氨酸相关疾病的准确快速诊断具有重要意义。

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本文引用的文献

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Isomers Identification of 2-hydroxyglutarate acid disodium salt (2HG) by Terahertz Time-domain Spectroscopy.基于太赫兹时域光谱技术的2-羟基戊二酸二钠盐(2HG)异构体鉴定
Sci Rep. 2017 Sep 22;7(1):12166. doi: 10.1038/s41598-017-11527-z.
2
Terahertz identification and quantification of neurotransmitter and neurotrophy mixture.太赫兹对神经递质和神经营养因子混合物的识别与定量分析。
Biomed Opt Express. 2016 Oct 6;7(11):4472-4479. doi: 10.1364/BOE.7.004472. eCollection 2016 Nov 1.
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The association between plasma homocysteine levels and bone quality and bone mineral density parameters in older persons.老年人血浆同型半胱氨酸水平与骨质量和骨密度参数之间的关联。
Bone. 2014 Jun;63:141-6. doi: 10.1016/j.bone.2014.03.002. Epub 2014 Mar 12.
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Identification and classification of chemicals using terahertz reflective spectroscopic focal-plane imaging system.使用太赫兹反射光谱焦平面成像系统对化学品进行识别和分类
Opt Express. 2006 Oct 2;14(20):9130-41. doi: 10.1364/oe.14.009130.
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Performance evaluation of evaporative light scattering detection and charged aerosol detection in reversed phase liquid chromatography.反相液相色谱中蒸发光散射检测和带电气溶胶检测的性能评估
J Chromatogr A. 2008 May 2;1189(1-2):92-100. doi: 10.1016/j.chroma.2007.10.111. Epub 2007 Nov 17.
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Quantitative measurements of amino acids by terahertz time-domain transmission spectroscopy.利用太赫兹时域透射光谱技术对氨基酸进行定量测量。
Anal Chem. 2006 Aug 1;78(15):5424-8. doi: 10.1021/ac060520y.
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