Experimental and theoretical approach of nanocrystalline TiO_2 with antifungal activity

Longo V.M.; Picon F.C.; Zamperini C.; Albuquerque A.R.; Sambrano J.R.; Vergani C.E.; Machado A.L.; Andrés J.; Hernandes A.C.; Varela J.A.; Longo E.

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Experimental and theoretical approach of nanocrystalline TiO_2 with antifungal activity

机译：具有抗真菌活性的纳米TiO_2的实验和理论方法

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Using a solvothermal method for this research we synthesized nanocrystalline titanium dioxide (nc-TiO_2) anatase particles with a mean diameter of 5.4 nm and evaluated their potential antifungal effect against planktonic cells of Candida albicans without UV radiation. To complement experimental data, we analyzed structural and electronic properties of both the bulk and the (1 0 1) surface of anatase by first-principles calculations. Based on experimental and theoretical results, a reactive O_2H~- and OH~- species formation mechanism was proposed to explain the key factor which facilitates the antifungal activity.

机译：使用溶剂热方法进行这项研究，我们合成了平均直径为5.4 nm的纳米晶二氧化钛（nc-TiO_2）锐钛矿颗粒，并评估了它们对无紫外线的白色念珠菌浮游细胞的潜在抗真菌作用。为了补充实验数据，我们通过第一性原理计算分析了锐钛矿的主体和（1 0 1）表面的结构和电子性质。根据实验和理论结果，提出了反应性O_2H〜-和OH〜-的形成机理，以解释促进其抗真菌活性的关键因素。

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《Chemical Physics Letters》 |2013年第null期|共7页
作者
Longo V.M.; Picon F.C.; Zamperini C.; Albuquerque A.R.; Sambrano J.R.; Vergani C.E.; Machado A.L.; Andrés J.; Hernandes A.C.; Varela J.A.; Longo E.;
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approach; activity; method;

机译：方法;活动;方法;

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1. Experimental and theoretical approach of nanocrystalline TiO_2 with antifungal activity [J] . Longo V.M., Picon F.C., Zamperini C., Chemical Physics Letters . 2013,第Null期

机译：具有抗真菌活性的纳米TiO_2的实验和理论方法
2. Isothermal oxidation kinetics of nanocrystalline and coarse grained nickel: Experimental results and theoretical approach [J] . Rashidi A.M. Surface & Coatings Technology . 2011,第17a18期

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3. Isothermal oxidation kinetics of nanocrystalline and coarse grained nickel: Experimental results and theoretical approach [J] . Rashidi A.M. Surface & Coatings Technology . 2011,第17a18期

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4. Synthesis, structure, acid-base properties, theoretical study, antimicrobial and antifungal activity of some novel azo- and triazenocoumarins [C] . Stefan Dochev, Stancho Stanchev, Dobrinka Doncheva European Symposium on Organic Chemistry . 2009

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7. Experimental and theoretical approach of nanocrystalline TiO2 with antifungal activity [O] . Longo V. M., Picon Francini C., Zamperini Camila, 2013

机译：具有抗真菌活性的纳米TiO2的实验和理论研究
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Experimental and theoretical approach of nanocrystalline TiO_2 with antifungal activity

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