Nonlinear optical and antimicrobial activity of N-acyl glycine derivatives

• Published in: Journal of molecular liquids 2024-03, Vol.398, p.124260, Article 124260
• Main Authors: Nourai, Nour El Houda, Sebih, Fatiha, Hadji, Djebar, Allal, Fatima Zohra, Dib, Soulef, Kambouche, Nadia, Rolland, Valérie, Bellahouel-Benzine, Salima
• Format: Article
• Language: English
• Subjects: Antimicrobial; Chemical Sciences; Glycine; Lipoaminoacids; Nonlinear optic
• ISSN: 0167-7322; 1873-3166
• DOI: 10.1016/j.molliq.2024.124260

[Display omitted] •N-acyl glycine derivatives as potent antimicrobial agents have been synthesized and characterized.•The βHRS results suppose that these compounds they could be used for NLO applications.•The PBE0 functional gives Eg value close to that of the experimental.•A direct correlation has been obtained between the βHRS and β//.•An inverse relationship was found between the energy gaps and the βHRS. The current paper provides a theoretical and experimental coupled study of synthesized N–octanoyl glycine and N–oleoyl glycine. The derivatives were characterized using nuclear magnetic resonance (1H and 13C NMR), liquid chromatography–mass spectrometry (LC-MS), Fourier–transform infrared (FT-IR), and ultraviolet–visible (UV–Vis) spectroscopy. The resulting N-acyl glycines were assessed for their in vitro antimicrobial activity. The experimental investigation is supported by a linear and nonlinear optical study based on DFT levels and shows that our glycine analogues get moderate hyperpolarizability (β). The β results of these glycines are of moderate amplitude, like those of amino acids. For this, several procedures have been discussed for achieving these β values.