Infrared, Raman and NMR spectra, conformational stability, normal coordinate analysis and B3LYP calculations of 5-Amino-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

Bahgat, Khaled; El‐Emary, Talaat I.

doi:10.1016/j.molstruc.2012.10.059

Cited by 7 publications

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References 39 publications

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“…Among the different Raman features present in the spectra shown in Figure 2A of the [Zn(Q PhtBu ) 2 (MeOH) 2 ] complex, the band at 999 cm −1 is ascribed to the aromatic ring breathing mode of the acylpyrazolone ligand, while the other bands at 1599 cm −1 , 1609 cm −1 , and 1626 cm −1 are assigned to the C=O stretching of acylpyrazolone in the enolic forms ( Akama et al, 1996 ; Ueda and Akama 1994 ). The Raman bands at 2868 cm −1 , 2906 cm −1 , 2933 cm −1 , 2969 cm −1 , 3048 cm −1 , and 3069 cm −1 , shown in the inset of Figure 2A , are assigned to the C–H stretching of the pyrazolone (together with its substituents) ligand of the [Zn(Q PhtBu ) 2 (MeOH) 2 ] complex ( Chithambarathanu et al, 2003 ; Bahgat and EL-Emary 2013 ).…”

Section: Resultsmentioning

confidence: 99%

New Zinc-Based Active Chitosan Films: Physicochemical Characterization, Antioxidant, and Antimicrobial Properties

et al. 2022

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The improvement of the antioxidant and antimicrobial activities of chitosan (CS) films can be realized by incorporating transition metal complexes as active components. In this context, bioactive films were prepared by embedding a newly synthesized acylpyrazolonate Zn(II) complex, [Zn(QPhtBu)2(MeOH)2], into the eco-friendly biopolymer CS matrix. Homogeneous, amorphous, flexible, and transparent CS@Znn films were obtained through the solvent casting method in dilute acidic solution, using different weight ratios of the Zn(II) complex to CS and characterized by powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), Fourier transform infrared (FT-IR), Raman, and scanning electron microscopy (SEM) techniques. The X-ray single-crystal analysis of [Zn(QPhtBu)2(MeOH)2] and the evaluation of its intermolecular interactions with a protonated glucosamine fragment through hydrogen bond propensity (HBP) calculations are reported. The effects of the different contents of the [Zn(QPhtBu)2(MeOH)2] complex on the CS biological proprieties have been evaluated, proving that the new CS@Znn films show an improved antioxidant activity, tested according to the DPPH method, with respect to pure CS, related to the concentration of the incorporated Zn(II) complex. Finally, the CS@Znn films were tried out as antimicrobial agents, showing an increase in antimicrobial activity against Gram-positive bacteria (Staphylococcus aureus) with respect to pure CS, when detected by the agar disk-diffusion method.

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Section: Resultsmentioning

confidence: 99%