An experimental and DFT study on free radical scavenging activity of hesperetin Schiff bases

Sykuła, Anna; Kowalska-Baron, Agnieszka; Dzeikala, Aliaksandr; Bodzioch, Agnieszka; Łodyga-Chruścińska, Elżbieta

doi:10.1016/j.chemphys.2018.09.033

Cited by 18 publications

(18 citation statements)

References 72 publications

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“…Substitutions of the carbonyl group in the flavanone molecule with different substituents change the image of the absorption spectrum and may produce hypsochromic, bathochromic, hyperchromic, and hypochromic shifts of the absorptions (Figure 6). This phenomenon has been clearly demonstrated on hesperetin and its derivatives by Sykula and et al [28]. The derivatives contained the same substituents such as thiosemicarbazide, isoniazid, and benzhydrazide as the compounds in this work.…”

Section: Spectral Profiles Of Flavanone Schiff Basessupporting

confidence: 70%

“…Moreover, the spectra for all studied compounds in an acidic environment showed decreased intensity in the region of the first absorption band, while the second band was more intense (Figure 6a). This could be caused by substituent groups in system B of the Schiff base molecules, which was also reported in the work of Sykula et al [28]. The molecular configurations indicated that the substituted groups (thiocarbohydrazide, thiosemicarbazide, isoniazide, and benzhydrazide) had an impact on π-electron transfers in the conjugated flavanone molecules.…”

Section: Spectral Profiles Of Flavanone Schiff Basessupporting

confidence: 69%

“…N ′,2-bis(( E )-2-phenylchroman-4-ylidene)hydrazine-1-carbothiohydrazide ( FTCH 2:1 ). The ligand (2) has been prepared according to literature procedure [ 28 ]. Yield: 0.2 g, 38%; m.p.…”

Section: Methodsmentioning

confidence: 99%

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Structural and Spectral Investigation of a Series of Flavanone Derivatives

et al. 2021

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Four flavanone Schiff bases (E)-1-(2-phenylchroman-4-ylidene)thiosemicarbazide (FTSC) (1), N′,2-bis((E)-2-phenylchroman-4-ylidene)hydrazine-1-carbothiohydrazide (FTCH) (2), (E)-N’-(2-phenylchroman-4-ylidene)benzohydrazide (FHSB) (3) and (E)-N′-(2-phenylchroman-4-ylidene)isonicotinohydrazide (FIN) (4) were synthesized and evaluated for their electronic and physicochemical properties using experimental and theoretical methods. One of them, (2), consists of two flavanone moieties and one substituent, the rest of the compounds (1, 3, 4) comprises of a flavanone-substituent system in relation to 1:1. To uncover the structural and electronic properties of flavanone Schiff bases, computational simulations and absorption spectroscopy were applied. Additionally, binding efficiencies of the studied compounds to serum albumins were evaluated using fluorescence spectroscopy. Spectral profiles of flavanone Schiff bases showed differences related to the presence of substituent groups in system B of the Schiff base molecules. Based on the theoretically predicted chemical descriptors, FTSC is the most chemically reactive among the studied compounds. Binding regions within human and bovine serum albumins of the ligands studied are in the vicinity of the Trp residue and a static mechanism dominates in fluorescence quenching.

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Section: Spectral Profiles Of Flavanone Schiff Basessupporting

confidence: 70%

Section: Spectral Profiles Of Flavanone Schiff Basessupporting

confidence: 69%

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Structural and Spectral Investigation of a Series of Flavanone Derivatives

et al. 2021

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“…In consequence, such reactions are unlikely to occur in a significant number, and conventional studies in nonpolar media focus solely on RAF and HAT, with the remaining pathways being completely ignored. 60 , 63 , 106 , 121 , 139 , 143 …”

Section: Reactivitymentioning

confidence: 99%

“… 59 , 93 , 98 , 100 , 103 − 105 All of the listed substances are being heavily modified in an effort to identify derivatives with an improved safety profile and enhanced radical scavenging potential. 23 , 36 , 102 , 106 − 114 , 46 , 115 − 124 , 83 , 125 , 86 , 87 , 89 , 94 , 96 , 101 …”

Section: Introductionmentioning

confidence: 99%

Current Trends in Computational Quantum Chemistry Studies on Antioxidant Radical Scavenging Activity

Spiegel

2022

J. Chem. Inf. Model.

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The antioxidative nature of chemicals is now routinely studied using computational quantum chemistry. Scientists are constantly proposing new approaches to investigate those methods, and the subject is evolving at a rapid pace. The goal of this review is to collect, consolidate, and present current trends in a clear, methodical, and reference-rich manner. This paper is divided into several sections, each of which corresponds to a different stage of elaborations: preliminary concerns, electronic structure analysis, and general reactivity (thermochemistry and kinetics). The sections are further subdivided based on methodologies used. Concluding remarks and future perspectives are presented based on the remaining elements.

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Spectral, DFT—TDDFT computational investigation and biological studies of transition metal complexes of dehydroacetic acid schiff base

Kashar

Aal

2021

J IRAN CHEM SOC

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An experimental and DFT study on free radical scavenging activity of hesperetin Schiff bases

Cited by 18 publications

References 72 publications

Structural and Spectral Investigation of a Series of Flavanone Derivatives

Structural and Spectral Investigation of a Series of Flavanone Derivatives

Current Trends in Computational Quantum Chemistry Studies on Antioxidant Radical Scavenging Activity

Spectral, DFT—TDDFT computational investigation and biological studies of transition metal complexes of dehydroacetic acid schiff base

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