Organocatalyst 1,4-diazabicyclo [2.2.2]octane (DABCO) has proven to be an efficient and environmentally friendly catalyst in the multicomponent reaction involving aldehydes, ethylenediamine, and thioglycolic acid under microwave conditions. DABCO stands out among other organic catalysts due to its cost-effectiveness, non-toxic nature, and environmentally conscious profile. The method employed in this study exhibited exceptional attributes, such as high yields, swift reaction times, atom economy, catalyst reusability, and minimal catalyst loading. Additionally, there were excellent yields of products (90-94%). The melting points, UV-Vis, IR, 1HNMR, 13CNMR, were used to analyze the produced compounds. The invitro antibacterial activity of the synthesized compounds was investigated against pathogenic strains E. coli and Bacillus supstalis, and the results obtained were further explained with the help of DFT and molecular orbital calculations. Moreover, the compound 4b was found to be the most potent antibacterial agent amongst all tested compounds.

中文翻译：

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有机催化剂1,4-二氮杂双环[2.2.2]辛烷(DABCO)催化双噻唑烷酮衍生物的可持续合成及其光谱和DFT分析

有机催化剂 1,4-二氮杂双环[2.2.2]辛烷 (DABCO) 已被证明是微波条件下涉及醛、乙二胺和巯基乙酸的多组分反应中的高效且环保的催化剂。 DABCO 因其成本效益、无毒性质和环保特性而在其他有机催化剂中脱颖而出。本研究中采用的方法表现出卓越的属性，例如高产率、快速反应时间、原子经济性、催化剂可重复使用性和最小的催化剂负载量。此外，产品的良率也很高（90-94%）。使用熔点、UV-Vis、IR、1HNMR、13CNMR 来分析所产生的化合物。研究了合成化合物对致病菌株大肠杆菌和芽孢杆菌的体外抗菌活性，并借助密度泛函理论和分子轨道计算进一步解释了所得结果。此外，发现化合物4b是所有测试化合物中最有效的抗菌剂。