Density functional theory molecular modeling, chemical synthesis, and antimicrobial behaviour of selected benzimidazole derivatives

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• 作者：Maria Marinescu^a ; ^{maria.marinescu@chimie.unibuc.ro} ; Diana Gabriela Tudorache^a ; George Iuliu Marton^b ; Christina-Marie Zalaru^a ; Marcela Popa^c ; ^d ; Mariana-Carmen Chifiriuc^c ; ^d ; Cristina-Elena Stavarache^e ; Catalin Constantinescu^f ; ^g ; ^{catalin.constantinescu@inflpr.ro} ; ^{catalin.constantinescu@unilim.fr}
• 关键词：2-substituted benzimidazoles ; Antimicrobial activity ; Spectral analysis ; Disc diffusion ; Minimal inhibitory concentration (MIC) ; Biofilm ; Laser processing
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：1130
• 期：Complete
• 页码：463-471
• 全文大小：662 K
• 卷排序：1130

文摘

Eco-friendly one-pot solvent-free synthesis of bioactive 2-substituted benzimidazoles. N-Mannich bases synthesized from benzimidazoles, secondary amines and formaldehyde. Compounds evaluated by qualitative & quantitative methods against 9 bacterial strains. Density functional theory (DFT) modeling is accomplished with GAMESS 2012 software. Discussion on the laser-processing of such compounds for antimicrobial coatings.