Antioxidant activity of the hazelnut plant determination by computational chemistry methods

2021 ◽  
Vol 19 (4) ◽  
pp. 273-282
Author(s):  
Vildan Enisoğlu Atalay ◽  
İbrahim Barış Ölüç
Keyword(s):  
Antioxidant Activity ◽  
Free Radicals ◽  
Digestive System ◽  
Single Point ◽  
Antioxidant Properties ◽  
Hydroxyl Groups ◽  
Point Energy ◽  
Drinking Habits ◽  
Oxidative Balance ◽  
Cell Tissue

Nowadays, it is known that the species defined as free radicals in our body increase due to the change in our eating / drinking habits, physical activities and environmental conditions. Free radicals cause especially canser and diseases affecting many systems such as nervous system, cardiovascular system and digestive system. The formation of free radicals causes cell / tissue damage or cell deaths that occur as a result of oxidative balance disruption due to the insufficient antioxidants defined as oxidative stress. The purpose of this study is to determine the activity ranking of the compounds that give antioxidant properties to hazelnut plants by using quantum chemistry methods and to determine which hydroxyl groups cause the activity. In the antioxidant activity calculations, HAT, SET-PT and SPLET mechanisms are optimized with DFT//M062X/6-311++G(d,p) method, and single point energy as well as the EHOMO-ELUMO values were obtained with the Gaussian09 program in three different phases: gas, ethanol and water. According to the results, Riboflavin compound has been found to have the highest antioxidant potential and it was found that the antioxidant capacity of the compound originated from OH group at O4 position.

scholarly journals Phenols and Melanoidins as Natural Antioxidants in Beer. Structure, Reactivity and Antioxidant Activity

Biomolecules ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 400 ◽  
Author(s):  
Alvaro Martinez-Gomez ◽  
Isabel Caballero ◽  
Carlos A. Blanco
Keyword(s):  
Antioxidant Activity ◽  
Free Radicals ◽  
Antioxidant Properties ◽  
Natural Antioxidants ◽  
Antioxidant Compounds ◽  
Appreciable Effect ◽  
Human Metabolism ◽  
The World ◽  
Maillard Products ◽  
By Products

Beer is one of the most consumed drinks around the world, containing a variety of compounds that offer both appreciated sensorial characteristics and health advantages. Important healthy compounds in beer are those with antioxidant properties that attenuate the content of free radicals produced as by-products in the human metabolism, exerting an appreciable effect against cancers or cardiovascular diseases. This work details a study of antioxidant compounds present in beer, focusing on the two main groups: phenols (including polyphenolic forms) and melanoidins, formed specifically during brewing as Maillard products. The fundaments of the most important methods to evaluate beer antioxidant activity, the main antioxidant compounds present in beer—especially those with healthy properties—and the new trends to increase beer antioxidant activity are also discussed.

scholarly journals Preparation of Spray-Dried Functional Food: Effect of Adding Bacillus clausii Bacteria as a Co-Microencapsulating Agent on the Conservation of Resveratrol

Processes ◽  
2020 ◽  
Vol 8 (7) ◽  
pp. 849
Author(s):  
Daniel Vázquez-Maldonado ◽  
Vicente Espinosa-Solis ◽  
César Leyva-Porras ◽  
Patricia Aguirre-Bañuelos ◽  
Fidel Martinez-Gutierrez ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Free Radicals ◽  
Spray Drying ◽  
Functional Food ◽  
Food Effect ◽  
Antioxidant Properties ◽  
Sem Micrographs ◽  
Spherical Morphology ◽  
Bacillus Clausii ◽  
Spray Dried

The effect of bacteria (Bacillus clausii) addition on the culturability and antioxidant activity of resveratrol prepared by spray drying was studied in this work. Inulin and lactose were employed as carrying agents and their performance compared. Resveratrol microencapsulated in inulin showed the highest antioxidant activity (26%) against free radicals. The co-encapsulated materials (bacteria and resveratrol) in inulin and lactose showed similar activities (21%, and 23%, respectively) suggesting that part of resveratrol was absorbed by the bacteria. Particles showed a regular spherical morphology with smooth surfaces, and size in the micrometer range (2–25 μm). The absence of bacteria in the SEM micrographs and the culturability activity suggested the preservation of the organisms within the micro and co-microencapsulated particles. The present work proposes the preparation of a functional food with probiotic and antioxidant properties.

Antioxidant Properties of Carbon Black in Unsaturated Elastomers. Studies with cis-Polybutadiene

1965 ◽  
Vol 38 (3) ◽  
pp. 636-646
Author(s):  
J. T. Gruver ◽  
K. W. Rollmann
Keyword(s):  
Antioxidant Activity ◽  
Carbon Black ◽  
Antioxidant Properties ◽  
Chain Scission ◽  
Oxygen Absorption ◽  
Hydroxyl Groups ◽  
Carbon Blacks ◽  
Crosslinking Reactions ◽  
Absorption Measurements

Abstract The thermal antioxidant behavior of carbon black was studied in vulcanized cis-polybutadiene and related to the surface chemistry of the black. Continuous and intermittent stress relaxation and oxygen absorption measurements were employed to determine the antioxidant ability of the carbon blacks. The blacks were characterized by the surface concentrations of oxygen-containing functional groups, using methods described in the literature. Antioxidant activity was found to be highest in carbons containing relatively large amounts of bound oxygen. These carbons are also acidic and decompose peroxides by the ionic mechanism. This was demonstrated with cumyl peroxide. However, even though the acidity and ability to decompose cumyl peroxide to phenol and acetone could be destroyed by methylation, this treatment did not seriously impair the antioxidant activity, so that the role of acidic groups appears to be minor. Evidence is presented which suggests strongly that the antioxidant behavior of carbon blacks is due to surface quinones, possibly hydrogen-bonded with adjacent hydroxyl groups. Measurements made on samples vulcanized in peroxide and sulfur curing systems indicate that the antioxidant behavior of carbon black is independent of the method of vulcanization in the absence of other antioxidants. A characteristic feature of the antioxidant action of carbon blacks is their tendency to repress the oxidative crosslinking reactions, the relative amount of compensation of chain scission by crosslinking being smaller than in gum vulcanizates.

scholarly journals Antituberculosis, antimicrobic and antioxidant properties of Persica vulgaris L. extracts

2020 ◽  
Vol 3 (2) ◽  
pp. e00125
Author(s):  
I. Mamatova ◽  
I. Askarov ◽  
M. Mamarakhmonov
Keyword(s):  
Antioxidant Activity ◽  
Antibacterial Activity ◽  
Mycobacterium Tuberculosis ◽  
Free Radicals ◽  
Leaf Extract ◽  
Antioxidant Properties ◽  
Diffusion Method ◽  
Disk Diffusion Method ◽  
E Coli ◽  
Flower Extract

Peach is a medicinal plant which has many traditional applications uses against various diseases. In this study we have evaluated differences in tannins and flavonoids in the composition of flowers and peach leaves and their antioxidant properties. Antibacterial activity of the peach flower and leaf extract was investigated using Mycobacterium tuberculosis and E. coli by the disk diffusion method. Total fractions of flavonoids and tannins were obtained using ethanol and aqueous extraction, respectively. The antioxidant activity was evaluated using the adrenaline autooxidation test. The results have shown that the peach flower extract contains many flavonoids, tannins that probably account for better antimicrobial effects as compared with the peach leaf extract. This shows perspectives for the use of peach flowers for the treatment of many diseases, especially for tuberculosis, and other diseases associated with overproduction of free radicals.

scholarly journals Synthesis and Evaluation of Antioxidant Properties of 2-Substituted Quinazolin-4(3H)-ones

Molecules ◽  
2021 ◽  
Vol 26 (21) ◽  
pp. 6585
Author(s):  
Janez Mravljak ◽  
Lara Slavec ◽  
Martina Hrast ◽  
Matej Sova
Keyword(s):  
Antioxidant Activity ◽  
Phenyl Ring ◽  
Biological Activities ◽  
Antioxidant Properties ◽  
Hydroxyl Group ◽  
Hydroxyl Groups ◽  
Ortho Position ◽  
Dpph Assay ◽  
Metal Chelating ◽  
Methoxy Substituent

Quinazolinones represent an important scaffold in medicinal chemistry with diverse biological activities. Here, two series of 2-substituted quinazolin-4(3H)-ones were synthesized and evaluated for their antioxidant properties using three different methods, namely DPPH, ABTS and TEACCUPRAC, to obtain key information about the structure–antioxidant activity relationships of a diverse set of substituents at position 2 of the main quinazolinone scaffold. Regarding the antioxidant activity, ABTS and TEACCUPRAC assays were more sensitive and gave more reliable results than the DPPH assay. To obtain antioxidant activity of 2-phenylquinazolin-4(3H)-one, the presence of at least one hydroxyl group in addition to the methoxy substituent or the second hydroxyl on the phenyl ring in the ortho or para positions is required. An additional ethylene linker between quinazolinone ring and phenolic substituent, present in the second series (compounds 25a and 25b), leads to increased antioxidant activity. Furthermore, in addition to antioxidant activity, the derivatives with two hydroxyl groups in the ortho position on the phenyl ring exhibited metal-chelating properties. Our study represents a successful use of three different antioxidant activity evaluation methods to define 2-(2,3-dihydroxyphenyl)quinazolin-4(3H)-one 21e as a potent antioxidant with promising metal-chelating properties.

Natural Compounds with Antioxidant Properties

2009 ◽  
Vol 415 ◽  
pp. 25-28 ◽  
Author(s):  
Tudor Lupascu ◽  
Gheorghe Duca ◽  
Maria Giurginca ◽  
Pavel Vlad ◽  
Lucian Lupascu ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Free Radicals ◽  
Molecular Mass ◽  
Antioxidant Properties ◽  
Natural Compounds ◽  
High Molecular Mass ◽  
Minimum Concentration ◽  
Natural Substances ◽  
Vis Spectroscopy

Natural substances with polyphenolic structure exhibit remarkable antioxidant properties, being widely used in preventing various diseases. Among these, the oenotanins obtained from grapes seeds are proantocianidinic compounds with high molecular mass, water insoluble and as a result, rather difficult to be utilized. The aim of this paper was to produce their hydrosolubilization and the structure of the product resulted (enoxyl) has been investigated by MS, IR, UV-Vis spectroscopy. The antioxidant activity of oenotanins and enoxyl has been quantified by chemiluminescence technique, and the minimum concentration able to capture completely the free radicals has been also established.

scholarly journals Antioxidant properties of curcuminoids isolated from Curcuma longa L.

2016 ◽  
Vol 9 (2) ◽  
pp. 130-135 ◽  
Author(s):  
Silvia Mošovská ◽  
Patrícia Petáková ◽  
Michal Kaliňák ◽  
Anna Mikulajová
Keyword(s):  
Antioxidant Activity ◽  
Free Radicals ◽  
Curcuma Longa ◽  
Antioxidant Properties ◽  
Antioxidant Compounds ◽  
Phospholipid Complex ◽  
Cyclodextrin Complex ◽  
Frap Assay ◽  
Poorly Soluble ◽  
Reducing Potential

Abstract The evaluation of antioxidant potential of food has received much attention in recent years. Antioxidant compounds can scavenge free radicals and thereby can protect the human body from free radicals. This study was focused on the isolation of curcuminoids from the dried turmeric rhizome, and studying their antioxidant activity. The presence of curcuminoids was identified in turmeric sample by Nuclear Magnetic Resonance (NMR) analysis. Since neutral curcumin is known to be poorly soluble, the synthesis of curcumin-cyclodextrin and curcumin-phospholipid complexes was also performed. The antioxidant activity of isolated curcuminoids was assessed by two methods (ABTS and FRAP assay) and their scavenging activities were compared with those of prepared complexes. The ability to reduce ABTS radical cation decreased as follows: quercetin > trolox > curcuminoids > curcumin-cyclodextrin complex > curcumin-phospholipid complex. The reducing potential of tested samples in descending order was quercetin > trolox > curcumin-cyclodextrin complex > curcuminoids > curcumin-phospholipid complex.

scholarly journals Antioxidant Potential of Epigallocatechin-3-gallate, Ascorbic Acid, and Sodium Ascorbate in Solution and Gel Forms by 2,2-diphenyl-1-picrylhydrazyl (DPPH) Assay

2021 ◽  
Vol 11 (1) ◽  
pp. 19
Author(s):  
Virdah Dwi Dewaantari ◽  
Setyabudi Setyabudi ◽  
Kun Ismiyatin
Keyword(s):  
Antioxidant Activity ◽  
Ascorbic Acid ◽  
Free Radicals ◽  
Antioxidant Activities ◽  
Antioxidant Properties ◽  
Sodium Ascorbate ◽  
Assay Method ◽  
Dpph Assay ◽  
Electron Pairs ◽  
Healing Bone

Background: Free radicals are molecules without any electron pairs, unstable, and highly reactive. Antioxidants are needed to reduce free radicals. Antioxidants provide various benefits in dentistry as a preventive agent for caries, healing, bone formation, mouthwash, preventive and therapeutic cancer, and reduction of periodontal disease progressions. Additionally, research on antioxidants is still undergone due to the existence of free radical residues on bleached teeth. Epigallocatechin-3-gallate (EGCG), ascorbic acid (AA), and sodium ascorbate (SA) are ingridients that have antioxidant properties. Antioxidants can be in two forms solution and gel. Solutions have a higher substance releasing power than gel. Gel is extremely adhesive, so it does not flow easily. Meanwhile, solutions are rather unstable because it flows easily. Antioxidant activities were evaluated with 2,2-diphenyl-1-picrylhydrazyl (DPPH) Assay method. Purpose: Analyzing through literature reviews the potential antioxidants of EGCG, AA, and SA in solution and gel forms by DPPH Assay. Reviews: There were eight journal articles used in this review. The first article described antioxidant solutions in which EGCG was higher than sodium ascorbate. The second article showed that antioxidant gel EGCG was lower than sodium ascorbate. The third journal explained that ascorbic acid was higher than sodium ascorbate both in solution and gel forms. The other articles provided some information about the antioxidant activity percentages of EGCG, SA, and AA in the forms of gel and solutions by DPPH assay. Conclusion: EGCG has a higher antioxidant activity than SA, but it is lower when compared to AA in both solution and gel forms by DPPH assay.

scholarly journals Atypical antioxidant activity of non-phenolic amino-coumarins

RSC Advances ◽  
2018 ◽  
Vol 8 (4) ◽  
pp. 1927-1933 ◽  
Author(s):  
Daniel Zúñiga-Núñez ◽  
Pablo Barrias ◽  
Gloria Cárdenas-Jirón ◽  
M. Soledad Ureta-Zañartu ◽  
Camilo Lopez-Alarcón ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Free Radicals ◽  
Antioxidant Properties ◽  
Aerobic Conditions

Relevant antioxidant properties of non-phenolic 7-dialkyl-aminocoumarins against free radicals derived from 2,2′-azobis(2-amidinopropane) dihydrochloride under aerobic conditions have been experimentally and theoretically demonstrated.

scholarly journals Recent Developments in Effective Antioxidants: The Structure and Antioxidant Properties

Materials ◽  
2021 ◽  
Vol 14 (8) ◽  
pp. 1984
Author(s):  
Monika Parcheta ◽  
Renata Świsłocka ◽  
Sylwia Orzechowska ◽  
Monika Akimowicz ◽  
Renata Choińska ◽  
...  
Keyword(s):  
Free Radicals ◽  
Antioxidant Properties ◽  
Hydroxyl Group ◽  
Electronic Charge ◽  
Experimental Literature ◽  
Hydroxyl Groups ◽  
Food Ingredients ◽  
Group Position ◽  
Oxidative Damages ◽  
Recent Developments

Since the last few years, the growing interest in the use of natural and synthetic antioxidants as functional food ingredients and dietary supplements, is observed. The imbalance between the number of antioxidants and free radicals is the cause of oxidative damages of proteins, lipids, and DNA. The aim of the study was the review of recent developments in antioxidants. One of the crucial issues in food technology, medicine, and biotechnology is the excess free radicals reduction to obtain healthy food. The major problem is receiving more effective antioxidants. The study aimed to analyze the properties of efficient antioxidants and a better understanding of the molecular mechanism of antioxidant processes. Our researches and sparing literature data prove that the ligand antioxidant properties complexed by selected metals may significantly affect the free radical neutralization. According to our preliminary observation, this efficiency is improved mainly by the metals of high ion potential, e.g., Fe(III), Cr(III), Ln(III), Y(III). The complexes of delocalized electronic charge are better antioxidants. Experimental literature results of antioxidant assays, such as diphenylpicrylhydrazyl (DPPH) and ferric reducing activity power assay (FRAP), were compared to thermodynamic parameters obtained with computational methods. The mechanisms of free radicals creation were described based on the experimental literature data. Changes in HOMO energy distribution in phenolic acids with an increasing number of hydroxyl groups were observed. The antioxidant properties of flavonoids are strongly dependent on the hydroxyl group position and the catechol moiety. The number of methoxy groups in the phenolic acid molecules influences antioxidant activity. The use of synchrotron techniques in the antioxidants electronic structure analysis was proposed.

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