Stojanović Jevrem, Milojević-Rakić Maja, Bajuk-Bogdanović Danica, Ranđelović Dragana, Sokić Miroslav, Otašević Biljana, Malenović Anđelija, Ležaić Aleksandra Janošević, Protić Ana
Department of Drug Analysis, University of Belgrade-Faculty of Pharmacy, Vojvode Stepe 450, 11000 Belgrade, Serbia.
University of Belgrade-Faculty of Physical Chemistry, Studentski trg 12-16, 11158 Belgrade, Serbia.
Heliyon. 2024 Jul 18;10(14):e34841. doi: 10.1016/j.heliyon.2024.e34841. eCollection 2024 Jul 30.
A chemometrically based approach was applied to select the most efficient drug adsorbent among the biochars obtained from the novel feedstock, the leaves of the invasive plant (). The representative target adsorbates (atenolol, paracetamol, ketorolac and tetracycline) were selected on the basis of their physicochemical properties to cover a wide chemical space, which is the usual analytical challenge. Their adsorption was investigated using design of experiments as a comprehensive approach to optimise the performance of the adsorption system, rationalise the procedure and overcome common drawbacks. Among the response surface designs, the central composite design was selected as it allows the identification of important experimental factors (solid-to-liquid ratio, pH, ionic strength) and their interactions, and allows the selection of optimal experimental conditions to maximise adsorption performance. The biochars were prepared by pyrolysis at 500 °C and 800 °C (BC-500 and BC-800) and the ZnCl-activated biochars were prepared at 650 °C and 800 °C (AcBC-650 and AcBC-800). The FTIR spectra revealed that increasing the pyrolysis temperature without activator decreases the intensity of all bands, while activation preserves functional groups, as evidenced by the spectra of AcBC-650 and AcBC-800. High temperatures during activation promoted the development of an efficient surface area, with the maximum observed for AcBC-800 reaching 347 m g. AcBC-800 was found to be the most efficient adsorbent with removal efficiencies of 34.1, 51.3, 55.9 and 38.2 % for atenolol, paracetamol, ketorolac and tetracycline, respectively. The models describing the relationship between the removal efficiency of AcBC-800 and the experimental factors studied, showed satisfactory predictive ability (predicted R > 0.8) and no significant lack-of-fit was observed. The results obtained, including the mathematical models, the properties of the adsorbates and the adsorbents, clearly indicate that the adsorption mechanisms of activated biochars are mainly based on hydrophobic interactions, pore filling and hydrogen bonding.
采用基于化学计量学的方法，从源自新型原料（入侵植物的叶子）的生物炭中筛选出最有效的药物吸附剂。根据代表性目标吸附质（阿替洛尔、对乙酰氨基酚、酮咯酸和四环素）的物理化学性质进行选择，以涵盖广阔的化学空间，这是常见的分析挑战。采用实验设计作为一种综合方法来研究它们的吸附情况，以优化吸附系统的性能、使程序合理化并克服常见缺点。在响应面设计中，选择了中心复合设计，因为它能够识别重要的实验因素（固液比、pH值、离子强度）及其相互作用，并能选择最佳实验条件以最大化吸附性能。生物炭通过在500℃和800℃下热解制备（BC - 500和BC - 800），而ZnCl活化生物炭在650℃和800℃下制备（AcBC - 650和AcBC - 800）。傅里叶变换红外光谱显示，在没有活化剂的情况下提高热解温度会降低所有谱带的强度，而活化则保留了官能团，AcBC - 650和AcBC - 800的光谱证明了这一点。活化过程中的高温促进了有效表面积的发展，AcBC - 800的最大表面积达到347 m²/g。发现AcBC - 800是最有效的吸附剂，对阿替洛尔、对乙酰氨基酚、酮咯酸和四环素的去除效率分别为34.1%、51.3%、55.9%和38.2%。描述AcBC - 800去除效率与所研究实验因素之间关系的模型显示出令人满意的预测能力（预测R²>0.8），且未观察到明显的失拟现象。所获得的结果，包括数学模型、吸附质和吸附剂的性质，清楚地表明活化生物炭的吸附机制主要基于疏水相互作用、孔隙填充和氢键作用。
