scholarly journals Current view on the assessment of antioxidant and antiradical activities: A mini review

2021 ◽  
Vol 854 (1) ◽  
pp. 012048
Author(s):  
N V Kupaeva ◽  
E A Kotenkova
Keyword(s):  
Antioxidant Activity ◽  
Computational Methods ◽  
Density Functional ◽  
Antiradical Activity ◽  
Antioxidant Properties ◽  
Mechanisms Of Action ◽  
Biologically Active ◽  
Laboratory Animals ◽  
Current View ◽  
Dissociation Enthalpy

Abstract The main problems in assessing the antioxidant properties of plant biologically active compounds are discussed in this review. Antioxidant potential should be considered as a combination of antioxidant and antiradical activities, since antiradical activity is part of the antioxidant activity and does not always coincide with antioxidant activity. The mechanisms of action and the existing experimental and computational methods for their evaluation were reviewed. Methods like FRAP, CUPRAC etc. could be used for assessment of antioxidant activity of plant compounds, but it is necessary to perform studies on cell cultures or laboratory animals in order to determine mechanisms of action on the antioxidant system of a living organism. The current methodological approaches for studying antiradical activity and its mechanisms include experimental methods such as DPPH, ABTS and ORAC, and computational methods based on density functional theory. The main thermodynamic parameters for evaluating antiradical mechanisms (HAT, SET-PT and SPLET) are the bond dissociation enthalpy, ionization potential, proton dissociation enthalpy, proton affinity, and electron transfer enthalpy, among others. The existing approaches for determining the antiradical mechanisms of antioxidants are quite informative, but can still cannot predict or determine by in vitro methods the antioxidant mechanism of these compounds in organisms consisting of many complex individual systems.

scholarly journals Isobornylchalcones as Scaffold for the Synthesis of Diarylpyrazolines with Antioxidant Activity

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3579
Author(s):  
Svetlana A. Popova ◽  
Evgenia V. Pavlova ◽  
Oksana G. Shevchenko ◽  
Irina Yu. Chukicheva ◽  
Aleksandr V. Kutchin
Keyword(s):  
Antioxidant Activity ◽  
Antioxidant Properties ◽  
Biological Properties ◽  
High Reactivity ◽  
Biologically Active ◽  
Brain Lipids ◽  
Wide Range ◽  
Privileged Structure ◽  
Vitro Model

The pyrazoline ring is defined as a “privileged structure” in medicinal chemistry. A variety of pharmacological properties of pyrazolines is associated with the nature and position of various substituents, which is especially evident in diarylpyrazolines. Compounds with a chalcone fragment show a wide range of biological properties as well as high reactivity which is primarily due to the presence of an α, β-unsaturated carbonyl system. At the same time, bicyclic monoterpenoids deserve special attention as a source of a key structural block or as one of the pharmacophore components of biologically active molecules. A series of new diarylpyrazoline derivatives based on isobornylchalcones with different substitutes (MeO, Hal, NO2, N(Me)2) was synthesized. Antioxidant properties of the obtained compounds were comparatively evaluated using in vitro model Fe2+/ascorbate-initiated lipid peroxidation in the substrate containing brain lipids of laboratory mice. It was demonstrated that the combination of the electron-donating group in the para-position of ring B and OH-group in the ring A in the structure of chalcone fragment provides significant antioxidant activity of synthesized diarylpyrazoline derivatives.

scholarly journals Zn(II) Complex of Plant Phenolic Chlorogenic Acid: Antioxidant, Antimicrobial and Structural Studies

Materials ◽  
2020 ◽  
Vol 13 (17) ◽  
pp. 3745
Author(s):  
Monika Kalinowska ◽  
Justyna Sienkiewicz-Gromiuk ◽  
Grzegorz Świderski ◽  
Anna Pietryczuk ◽  
Adam Cudowski ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Chlorogenic Acid ◽  
Density Functional ◽  
Salmonella Enteritidis ◽  
Antioxidant Properties ◽  
Antimicrobial Activities ◽  
Butylated Hydroxytoluene ◽  
Antioxidant Power ◽  
Ferric Reducing Antioxidant Power ◽  
Thermochemical Parameters

The structure of the Zn(II) complex of 5-caffeoylquinic acid (chlorogenic acid, 5-CQA) and the type of interaction between the Zn(II) cation and the ligand were studied by means of various experimental and theoretical methods, i.e., electronic absorption spectroscopy UV/Vis, infrared spectroscopy FT-IR, elemental, thermogravimetric and density functional theory (DFT) calculations at B3LYP/6-31G(d) level. DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid), FRAP (ferric reducing antioxidant power), CUPRAC (cupric reducing antioxidant power) and trolox oxidation assays were applied in study of the anti-/pro-oxidant properties of Zn(II) 5-CQA and 5-CQA. The antimicrobial activity of these compounds against Escherichia coli, Pseudomonas aeruginosa, Bacillus subtilis, Staphylococcus aureus, Salmonella enteritidis and Candida albicans was tested. An effect of Zn(II) chelation by chlorogenic acid on the anti-/pro-oxidant and antimicrobial activities of the ligand was discussed. Moreover, the mechanism of the antioxidant properties of Zn(II) 5-CQA and 5-CQA were studied on the basis of the theoretical energy descriptors and thermochemical parameters. Zn(II) chlorogenate showed better antioxidant activity than chlorogenic acid and commonly applied natural (L-ascorbic acid) and synthetic antioxidants (butylated hydroxyanisol (BHA) and butylated hydroxytoluene (BHT)). The pro-oxidant activity of Zn(II) 5-CQA was higher than the ligand and increased with the rise of the compound concentration The type of Zn(II) coordination by the chlorogenate ligand strongly affected the antioxidant activity of the complex.

scholarly journals Studies of the Variability of Polyphenols and Carotenoids in Different Methods Fermented Organic Leaves of Willowherb (Chamerion angustifolium (L.) Holub)

2020 ◽  
Vol 10 (15) ◽  
pp. 5254
Author(s):  
Marius Lasinskas ◽  
Elvyra Jariene ◽  
Nijole Vaitkeviciene ◽  
Jurgita Kulaitiene ◽  
Katarzyna Najman ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
High Performance ◽  
Solid Phase ◽  
Antioxidant Properties ◽  
Hierarchical Cluster ◽  
Organic Production ◽  
Biologically Active ◽  
Total Phenolic ◽  
Total Carotenoids ◽  
Chamerion Angustifolium

The demand for organic production is increasing worldwide. The willowherb, grown in an organic way, contributes greatly to the idea of a healthier society and clean land. Willowherb is widespread in the world and has high polyphenols, carotenoids, and antioxidant properties. The purpose of this work was to investigate the influence of solid-phase fermentation (SPF) under different conditions on the variation of polyphenols and carotenoids in the organic leaves of willowherb. The leaves were fermented for different periods of time: 24, 48, and 72 h; and in aerobic and anaerobic conditions. The evaluation of polyphenols and carotenoids was completed using high-performance liquid chromatography (HPLC), and antioxidant activity was measured with spectrophotometric method. Hierarchical cluster analysis was used to describe differences in biologically active compounds between willowherb samples. The experiment showed that the highest quantities of total phenolic acids and flavonoids were determined after 24 h under aerobic SPF, but the amountof total carotenoids was higher after 72 h anaerobic SPF, compared to control. Not-fermented willowherb leaves had a lower antioxidant activity. compared to fermented leaves. In conclusion, SPF can be used to change polyphenol and carotenoid quantities in organic leaves of willowherb.

scholarly journals DFT Studies on the Antioxidant Activity of Naringenin and Its Derivatives: Effects of the Substituents at C3

2019 ◽  
Vol 20 (6) ◽  
pp. 1450 ◽  
Author(s):  
Yan-Zhen Zheng ◽  
Geng Deng ◽  
Rui Guo ◽  
Da-Fu Chen ◽  
Zhong-Min Fu
Keyword(s):  
Antioxidant Activity ◽  
Density Functional ◽  
Radical Scavenging Activity ◽  
Resonance Effect ◽  
Antioxidant Properties ◽  
Radical Scavenging ◽  
Dft Method ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Selection Of

The radical scavenging activity of a flavonoid is largely influenced by its structure. The effects of the substituents at C3 position on the antioxidant activity of naringenin were carried out using the density functional theory (DFT) method. The reaction enthalpies related with the three well-established mechanisms were analyzed. Excellent correlations were found between the reaction enthalpies and Hammett sigma constants. Equations obtained from the linear regression can be helpful in the selection of suitable candidates for the synthesis of novel naringenin derivatives with enhanced antioxidant properties. In the gas and benzene phases, the antioxidant activity of naringenin was enhanced by the electron-donating substituents via weakening the bond dissociation enthalpy (BDE). In the water phase, it was strengthened by electron-withdrawing groups—via lowering the proton affinity (PA). The electronic effect of the substituent on the BDE of naringenin is mainly governed by the resonance effect, while that on the ionization potential (IP) and PA of naringenin is mainly controlled by the field/inductive effect.

A DFT STUDY ON THE ROLE OF DIFFERENT OH GROUPS IN THE RADICAL SCAVENGING PROCESS

2012 ◽  
Vol 11 (04) ◽  
pp. 871-893 ◽  
Author(s):  
K. SADASIVAM ◽  
R. JAYAPRAKASAM ◽  
R. KUMARESAN
Keyword(s):  
Antioxidant Activity ◽  
Density Functional ◽  
Dominant Role ◽  
Food Additives ◽  
Radical Scavenging ◽  
Theory Approach ◽  
Oh Groups ◽  
Flavonoid Compounds ◽  
Dissociation Enthalpy

The molecular properties of robinetin and melanoxetin which are the two naturally occurring flavonoid compounds have been studied theoretically by means of density functional theory approach (DFT) at the level of B3LYP/6-311G(d,p). The analysis of computed bond dissociation enthalpy (BDE), proton dissociation enthalpy (PDE), proton affinity (PA), electron transfer enthalpy (ETE) values for both the flavonoid compounds indicate the role of B-ring for the significant antioxidant characteristics and the instability of the A-ring. It also concerns the dominant role of BDE mechanism for antioxidant activity than PDE, PA and ETE mechanisms. Ionization potential (IP) is also found to be trustworthy in the study of antioxidant activity and the computed IP magnitudes are in agreement with the values of synthetic food additives. Further, the various molecular descriptors along with the plot of frontier molecular orbitals and Mulliken spin population analysis have been obtained and the validity of Koopmans' theorem is also verified with reference to antioxidant behavior.

Insight into the antioxidant properties of non-phenolic terpenoids contained in essential oils extracted from the buds of Cleistocalyx operculatus: a DFT study

RSC Advances ◽  
2016 ◽  
Vol 6 (37) ◽  
pp. 30824-30834 ◽  
Author(s):  
Thi Chinh Ngo ◽  
Duy Quang Dao ◽  
Nguyen Minh Thong ◽  
Pham Cam Nam
Keyword(s):  
Density Functional Theory ◽  
Essential Oil ◽  
Essential Oils ◽  
Computational Methods ◽  
Density Functional ◽  
Antioxidant Properties ◽  
Dft Study ◽  
Functional Theory ◽  
Cleistocalyx Operculatus ◽  
Insight Into

The antioxidant properties of 21 non-phenolic terpenoids contained in essential oil extracted from the buds of Cleistocalyx operculatus have been investigated using density functional theory (DFT)-based computational methods.

scholarly journals Antioxidant Activity and Chemical Composition of Extracts from Fruiting Bodies of Xylotrophic Fungi Growing on Birch

2001 ◽  
Vol 14 (3) ◽  
pp. 339-353
Author(s):  
Alexander A. Ermoshin ◽  
◽  
Irina S. Kiseleva ◽  
Irina V. Nikkonen ◽  
Dominique S. Nsengiyumva ◽  
...  
Keyword(s):  
Amino Acids ◽  
Antioxidant Activity ◽  
Chemical Composition ◽  
Antioxidant Properties ◽  
Biologically Active ◽  
Future Research ◽  
No Production ◽  
Fruiting Bodies ◽  
Fomitopsis Pinicola ◽  
Xylotrophic Basidiomycetes

The search for new natural sources of biologically active substances is a major issue in pharmaceutical industry. Xylotrophic basidiomycetes are common in forests worldwide, but as a prospective raw source of biologically active compounds they have not been studied as extensively as plants and other groups of fungi. The study is aimed to determine the chemical composition and antioxidant activity of extracts from 10 species of tinder fungi growing on birch and common in the forests in Russia. The chaga muchroom (Inonotus obliquus), traditionally used in medicine, was chosen as a standard species. Extracts from fruiting bodies were obtained with water or 95 % ethanol. They contained 4 to 8 types of free amino acids including 2 to 6 essential ones. Perennial basidiocarps were shown to be richer in phenolic compounds and poorer in amino acids than annual ones. Alkaloids and saponins were found in perennial basidiocarps of two species, saponins were also found in annual basidiocarps of one species. Water and alcohol extracts differed in composition and concentration of extractives, and showed different antioxidant (inhibition of lipid peroxidation) and antiradical (ABTS‑test, inhibition of NO production) activity. This way it was shown that the nature of the solvent extraction agent is important for the manifestation of biological activity. In most tests, water extracts from chaga showed better antioxidant properties; extracts from Piptoporus betulinus and Fomitopsis pinicola were also effective as antioxidants, which may be promising avenues for future research

scholarly journals Antioxidant properties of medicinal plants and their effect on microbial spoilage of semi-finished meat, poultry and fish

2022 ◽  
Vol 11 (4) ◽  
pp. 590-602
Author(s):  
N. B. Eremeeva ◽  
N. V. Makarova
Keyword(s):  
Antioxidant Activity ◽  
Raw Materials ◽  
Antioxidant Properties ◽  
Antibacterial Properties ◽  
Biologically Active ◽  
Coliform Bacteria ◽  
Total Bacterial Count ◽  
Experimental Conditions ◽  
Polyphenolic Composition ◽  
Chamomile Flowers

Plant extracts rich in polyphenols can be used in the food industry as natural preservatives, extending the shelf life of prepared and semi-finished foods without chemical preservatives. In this paper, we investigate the polyphenolic composition, antioxidant activity and antibacterial properties of herbal extracts as part of food systems. The research objects were knot grass (Polýgonum aviculáre), marjoram (Oríganum), bur beggar-ticks (Bídenstripartíta), thyme (Thymus), whortleberry leaves (Vaccínium ida vítis), calendula (Calendula), sage (Salvia), chamomile flowers (Matricāriachamomīlla), eucalyptus (Eucalýptus) and bearberry (Arctostáphylosúva-úrsi). We determined the total content of phenolic compounds and flavonoids; the antioxidant activity by DPPH and FRAP methods; variations in the bacterial сontamination of animal raw materials over total bacterial count (TBC), coliform bacteria, yeast/fungi, salmonella and staphylococcus. Extracts of sage (1138±57 mg GA/100 g and 537±25 mg C/100 g), eucalyptus (1073±49 mg GA/100 g and 412±20 mg C/100 g), chamomile flowers (1002±36 mg GA/100 g and 493±22 mg C/100 g) and marjoram (1015±42 mg GA/100 g and 458±21 mg C/100 g) contain the largest amount of biologically active substances (phenols and flavonoids, respectively). Sage, eucalyptus and chamomile extracts demonstrate the highest antioxidant activity among the studied samples. Most of the studied extracts exhibit little or no effect on the organoleptic properties of finished products. In addition, chamomile flower, sage and eucalyptus extracts suppress the growth of pathogenic microorganisms in foods under experimental conditions. The microflora growth is significantly reduced when treating animal raw materials with calendula flowers, marjoram and thyme extracts. Extracts of sage, chamomile flowers, calendula flowers, marjoram and thyme can be recommended as components of food raw materials.

scholarly journals THE CHEMICAL COMPOSITION OF THE FRACTIONS OF THE AERIAL PART OF CULTIVATED CHICORY AND THEIR ANTIOXIDANT ACTIVITY

2021 ◽  
pp. 165-173
Author(s):  
Ol'ga Leonidovna Saybel ◽  
Andrey Ivanovich Radimich ◽  
Grigoriy Vasil'yevich Adamov ◽  
Tamara Darizhapovna Dargaeva ◽  
Nikolay Borisovich Fadeev ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Aerial Part ◽  
Raw Materials ◽  
Antioxidant Properties ◽  
Ethyl Acetate Fraction ◽  
Biologically Active ◽  
Perennial Herb ◽  
Cultivated Plants ◽  
The Russian Federation ◽  
Asteraceae Family

Chicory (Cichorium intybus L.) is a biennial or perennial herb of the Asteraceae family, growing in the Russian Federation under natural conditions in meadows, forest glades, grassy slopes, as well as on wastelands, fields, overgrown dumps and roadsides. Along with the wild-growing chicory, breeding varieties of cultivated plants are also known, intended for obtaining roots, while the aboveground part, which is a root rosette of leaves, is a production waste. The purpose of this study was to study the qualitative composition and antioxidant properties of biologically active substances (BAS) of the aerial part of cultivated chicory and to assess the potential for using secondary raw materials of this plant in the pharmaceutical industry for obtaining medicines. As a result of the study by HPLC-UV-MS / MS, it was found that the phenolic complex of the aerial part of the cultivated chicory is represented by phenol carboxylic acids - esters of caffeic, ferulic, coumaric acids with organic acids (quinic and tartaric) in various combinations; trace amounts of oxycoumarins (chicoriin); flavonoids (glycosides of quercetin, luteolin and isorhamnetin). The study of the antioxidant properties of BAS fractions of different polarity showed that the ethyl acetate fraction has the highest activity. It was found that the main dominant compound of this fraction is cichoric acid, which suggests that it is this metabolite that makes a decisive contribution to the antioxidant activity of the fraction and the extract as a whole.

scholarly journals Sea Buckthorn and Rosehip Oils with Chokeberry Extract to Prevent Hypercholesterolemia in Mice Caused by a High-Fat Diet In Vivo

Nutrients ◽  
2020 ◽  
Vol 12 (10) ◽  
pp. 2941
Author(s):  
Lubov Tereshchuk ◽  
Kseniya Starovoytova ◽  
Olga Babich ◽  
Lyubov Dyshlyuk ◽  
Irina Sergeeva ◽  
...  
Keyword(s):  
Blood Serum ◽  
Dietary Supplement ◽  
Full Range ◽  
Antioxidant Properties ◽  
Hepatoprotective Activity ◽  
Sea Buckthorn ◽  
Biologically Active ◽  
Laboratory Animals ◽  
In Vivo Models

Dietary supplementation based on sea buckthorn and rosehip oils with added chokeberry extract was studied. We added the dietary supplement to the feed mixtures for laboratory animals. The possible toxicological effects and hypocholesterolemic, hepatoprotective activity of the dietary supplement in vivo were studied. After the observation period (6 weeks), no significant changes were found in the mass of organs and blood serum of laboratory animals (p > 0.05). However, there was a decrease in hypercholesterolemic indicators. Regular consumption of sea buckthorn and rosehip oils with added chokeberry extract (dietary supplement “ESB-1”) by laboratory animals inhibited the activity of liver enzymes and increased the antioxidant activity of blood serum (after the subcutaneous injection of sunflower oil/oil solution of carbon tetrachloride) but was not sufficient to bring them to physiological standards. The hypocholesterolemic and antioxidant properties of our dietary supplement already allow us to consider it a component of functional food products or a dietary supplement base. However, the full range of its biologically active properties, including the hepatoprotective function and regulation of metabolic disorders, has not been studied yet, which sets the direction of further research in vivo models and clinical practice to confirm its effectiveness in humans.

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