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Journals / Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi / 2018 / Cilt: 8 Sayı: 4

Investigation of Antioxidant Molecules in Green Tea by Quantum Chemical Approaches

Yeşil Çaydaki Antioksidan Moleküllerin Özelliklerinin Kuantum Kimyasal Yöntemler ile İncelenmesi

Vildan Enisoğlu Atalay(ÜSKÜDAR ÜNİVERSİTESİ)0000-0002-9830-9158
Pages
55–65
Publication Date
2018-12-30
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

The antioxidant activity in the gas phase is gallocatechin>kaempferitin>isoviteksin> strictinin>theaflavin and in the ethanol phase it is isoviteksin>strictinin>gallocatechin> kaempferitin>theaflavin.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:A strong antioxidant, green tea, has antimutagenic, anticarcinogenic and antibacterial properties.
📊
Key Findings & Data:Calculations were performed using the Gaussian09 program M062X/6-311+Gdp and the molecular descriptors using HF/6-31++Gdp methods.
💡
Conclusion & Impact:The antioxidant activity in the gas phase is gallocatechin>kaempferitin>isoviteksin> strictinin>theaflavin and in the ethanol phase it is isoviteksin>strictinin>gallocatechin> kaempferitin>theaflavin.
🔬Design:Araştırma Makalesi
📍Scope:Comprehensive Sample
⚙️Variables:antioksidan · DFT · yeşil çay

Abstract

A strong antioxidant, green tea, has antimutagenic, anticarcinogenic and antibacterial properties. Among the multiple components of green tea, flavonoids are a major contributor to the antioxidant activity. In this study, the molecules of gallocatechin, kaempferinin, strictinin, theaflavin and isoviteksin molecules, which are OH groups in the green tea plant, are emphasized. The three major antioxidant mechanisms HAT, SET-PT and SPLET have been examined to analyze the antioxidative capacity of the compounds studied. Calculations were performed using the Gaussian09 program M062X/6-311+Gdp and the molecular descriptors using HF/6-31++Gdp methods. The SPLET mechanism in the gas phase and the SET-PT mechanism are preferred in the ethanol phase. The antioxidant activity in the gas phase is gallocatechin>kaempferitin>isoviteksin> strictinin>theaflavin and in the ethanol phase it is isoviteksin>strictinin>gallocatechin> kaempferitin>theaflavin.

Özet

Güçlü bir antioksidan olan yeşil çay, antimutajenik, antikanserojen ve antibakteriyel özellikler taşır. Yeşil

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Cite This Article

Atalay, V. E. (2018). Investigation of Antioxidant Molecules in Green Tea by Quantum Chemical Approaches. Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi, Cilt: 8 Sayı: 4, 55–65. https://doi.org/10.21597/jist.420354

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