The prime objective of the present research is to explore the green synthesis of benzodiazepine derivative (BDZ) using the microwave irradiation method and its application as a novel corrosion inhibitor for carbon steel in 15 % HCl under hydrodynamic condition at 1500 rpm. The performance ability of BDZ rises from 42.35 % (without BDZ) to 93.41 % (with BDZ). The BDZ depicted the cathodic inhibitive nature. The charge transfer resistance () changes from 41.9 Ω cm to 313 Ω cm with the falling of double layer capacitance () from 92.1 μF cm to 45.2 μF cm on the introduction of BDZ supports the adsorption of BDZ molecules at the active sites of the carbon steel surface. The molecular adsorption of BDZ is governed by Temkin isotherm. The results of the surface analysis support the creation of an inhibitive layer of BDZ over the carbon steel surface. Density Functional Theory (DFT) and Molecular Dynamic simulations (MD) calculations were further performed to justify the experimental results. Molecular docking was used to analyze the BDZ and sulfate-reducing bacteria (SRB) protein interaction.

中文翻译：

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一种新型苯二氮卓衍生物的实验、表面和理论研究，用于水动力环境下15%盐酸介质中碳钢的缓蚀

本研究的主要目的是探索微波辐射法绿色合成苯二氮卓衍生物（BDZ）及其在 1500 rpm 流体动力条件下在 15% HCl 中作为碳钢新型缓蚀剂的应用。 BDZ的性能能力从42.35％（无BDZ）上升到93.41％（有BDZ）。 BDZ 描述了阴极抑制性质。引入 BDZ 后，电荷转移电阻 () 从 41.9 Ω cm 变为 313 Ω cm，双层电容 () 从 92.1 μF cm 下降到 45.2 μF cm，支持 BDZ 分子在碳活性位点的吸附钢表面。 BDZ 的分子吸附受 Temkin 等温线控制。表面分析的结果支持在碳钢表面上形成 BDZ 抑制层。进一步进行密度泛函理论（DFT）和分子动力学模拟（MD）计算以证明实验结果的合理性。使用分子对接分析 BDZ 和硫酸盐还原菌 (SRB) 蛋白的相互作用。