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使用合成生物纳米复合材料(生物质-TiO)通过光催化过程结合好氧生物处理降解富马酸替诺福韦二吡呋酯:表征、优化、机理及密度泛函理论计算

Degradation of Tenofovir Disoproxil Fumarate by a photocatalytic process in combination with aerobic biological treatment using a synthesized bio-nanocomposite (Biomass-TiO): characterization, optimization, mechanism, and DFT calculations.

作者信息

Ajebli Safae, Kaichouh Ghizlan, Echerfaoui Fouad, Safi Zaki, Wazzan Nuha, Warad Ismail, Bellaouchou Abdelkbir, Zarrouk Abdelkader

机构信息

Laboratory of Materials, Nanotechnology and Environment, Faculty of Sciences, Mohammed V University in Rabat, Agdal, P.O. Box. 1014, Rabat, Morocco.

Laboratory of Analytical Chemistry and Bromatology, Faculty of Medicine and Pharmacy of Rabat, University Mohammed V, Rabat, Morocco.

出版信息

Environ Sci Pollut Res Int. 2025 May;32(24):14944-14967. doi: 10.1007/s11356-025-36585-z. Epub 2025 Jun 3.

Abstract

This study aims to integrate a biological treatment with a photocatalytic treatment for the decontamination of water polluted by a pharmaceutical product called Tenofovir Disoproxil Fumarate using a bio-nanocomposite synthesized from biomass that is an agricultural waste called corn cobs. The biomass-TiO bio-nanocomposite (Bio-TiO) was synthesized using a facile method by mixing TiO with corncobs, then characterized by several techniques including UV-Vis-RDS, SEM-EDS, FT-IR, and XRD for the understanding of its properties. The efficiency of TDF mineralization by the 6-Bio-TiO bio-nanocomposite was evaluated using the BBD (Box-Behnken design); optimum values for TDF degradation and mineralization were found at pH = 4, m = 3 g L and C = 0.1 mM. A degradation rate of over 97% was achieved in 90 min and almost complete degradation after 270 min, as well as a mineralization rate of 99.15% in 360 min. The degradation mechanism was also proposed. The evaluation of biodegradability was verified by the BOD/COD ratio whose value after 2 h of photocatalytic pre-treatment became 0.44, proving that the solution was considered biodegradable. Next, an independent 21-day biological treatment at 25 °C was implemented with a sludge quantity of 1 g L. This process achieved a remarkable mineralization yield of 99.15% on day 17. Three-cycle reuse of 6-Bio-TiO was carried out to confirm its high efficiency and stability after different uses, maintaining a degradation percentage of over 90%. DFT calculations proved effective in accurately predicting the degradation mechanism of the TDF molecule, using Fukui indices as a valuable tool in this process. This study highlights the promising potential of integrating these two processes as an advanced technology.

摘要

本研究旨在将生物处理与光催化处理相结合,以净化受名为替诺福韦酯富马酸盐的药物污染的水,所使用的生物纳米复合材料由生物质(一种名为玉米芯的农业废弃物)合成。通过将二氧化钛与玉米芯混合,采用简便方法合成了生物质 - 二氧化钛生物纳米复合材料(Bio - TiO),然后通过包括紫外 - 可见 - 拉曼散射光谱(UV - Vis - RDS)、扫描电子显微镜 - 能谱分析(SEM - EDS)、傅里叶变换红外光谱(FT - IR)和X射线衍射(XRD)等多种技术对其进行表征,以了解其性质。使用Box - Behnken设计(BBD)评估了6 - Bio - TiO生物纳米复合材料对替诺福韦酯(TDF)矿化的效率;发现TDF降解和矿化的最佳值为pH = 4、m = 3 g/L和C = 0.1 mM。在90分钟内实现了超过97%的降解率,270分钟后几乎完全降解,在360分钟内矿化率达到99.15%。还提出了降解机制。通过生化需氧量/化学需氧量(BOD/COD)比值验证了生物降解性,光催化预处理2小时后该比值变为0.44,证明该溶液被认为是可生物降解的。接下来,在25℃下进行了为期21天的独立生物处理,污泥量为1 g/L。该过程在第17天实现了99.15%的显著矿化率。对6 - Bio - TiO进行了三次循环再利用,以确认其在不同使用后的高效性和稳定性,保持降解率超过90%。密度泛函理论(DFT)计算被证明在准确预测TDF分子的降解机制方面是有效的,在此过程中使用福井指数作为一种有价值的工具。本研究突出了将这两个过程整合为一种先进技术的广阔前景。

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