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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >Yeast cell wall - Silver nanoparticles interaction: A synergistic approach between surface-enhanced Raman scattering and computational spectroscopy tools
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Yeast cell wall - Silver nanoparticles interaction: A synergistic approach between surface-enhanced Raman scattering and computational spectroscopy tools

机译:酵母细胞壁 - 银纳米粒子相互作用:表面增强拉曼散射与计算光谱工具之间的协同方法

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Candida species are becoming one of the pathogens developing antifungal resistance due to inappropriate treatment and overuse of antimycotic drugs in building construction and agriculture. Further, fungal infections are often difficult to detect, also due to slow in vitro growth of the organisms from clinical specimens. Thus, fast detection and discrimination of yeast cells in direct patient materials is essential for an adequate treatment and success rate. In this work, we investigated Candida species isolated from patients, by using surface-enhanced Raman scattering (SERS) combined with computational spectroscopy tools, aiming to detect and discriminate between the three considered species, Candida albicans, Candida glabrata, and Candida parapsilosis. Density functional theory (DFT) was used to calculate Raman spectra of yeasts' main cell wall components for elucidating the origin of the observed bands. Accurate assignments of normal modes helped for a better understanding of the interaction between silver nanoparticles with yeasts' cell wall. Further, SERS spectra were used as samples in a database on which we performed multivariate analyses. By Principal component analysis (PCA), we obtained a maximum variation of 79% between the three samples. Linear discriminant analysis (LDA) was successfully used to discriminate between the three species. (C) 2019 Published by Elsevier B.V.
机译:由于在建筑和农业中的抗霉菌药物过度使用,念珠菌物种正在成为发育抗真菌抗性的病原体之一。此外,由于来自临床标本的生物体的体外生长缓慢,真菌感染通常难以检测。因此,直接患者材料中酵母细胞的快速检测和辨别对于充分的治疗和成功率至关重要。在这项工作中,我们调查了通过使用表面增强的拉曼散射(SERS)与计算光谱工具结合使用的患者分离的念珠菌物种,旨在检测和区分三种所考虑的物种,念珠菌肽,念珠菌和念珠菌途径。密度函数理论(DFT)用于计算酵母的主要细胞壁部件的拉曼光谱,以阐明观察到的带的起源。准确的正常模式分配有助于更好地理解与酵母的细胞壁的银纳米粒子之间的相互作用。此外,SERS光谱用作我们在其上进行多变量分析的数据库中的样本。通过主成分分析(PCA),我们在三个样品之间获得了79%的最大变化。线性判别分析(LDA)成功地用于区分三种物种。 (c)2019年由elestvier b.v发布。

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