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Dergiler / International Journal of Secondary Metabolite / 2019 / Cilt: 6 - Sayı: 1

Temperature Effect of the Theobromine’s Electronic and Antioxidant Properties

Aslı ÖZTÜRK KİRAZ
Sayfa
90–97
Yayın Tarihi
2022-10-19
DOI
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⚡ TL;DR(1 Cümlede Hızlı Çıkarım)

Therefore, this situation should be taken into consideration in order to benefit more from the antioxidant properties of theobromine in the field of health and pharmaceuticals.

📌 3 Maddede Bu Makale

🎯
Amaç & Hipotez:Theobromine exists in cocoa, which has an antioxidant ingredient.
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Temel Bulgular & Veri:The calculations, were done by using Density Functional Theory (DFT), at B3LYP/6-31G(d,p) level.
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Sonuç & Katkı:Therefore, this situation should be taken into consideration in order to benefit more from the antioxidant properties of theobromine in the field of health and pharmaceuticals.
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Theobromine · Antioxidant · Electronic Properties

Özet

Theobromine exists in cocoa, which has an antioxidant ingredient. It is also affect our nervous system. For this reason, it’s very important to know the properties of the theobromine. Theobromine is an experimentally studied molecule in the health and pharmaceutical fields. However, there are not many studies on theobromine properties in the theoretical field. Here, we show how theobromine electronic and antioxidant properties change with temperature theoretically. The calculations, were done by using Density Functional Theory (DFT), at B3LYP/6-31G(d,p) level. Six different temperature values (263.15 K, 273.15 K, 288.15 K, 298.15 K, 318.15 K, 328.15 K) were taken into account. Our results presented that the electronic structure of the theobromine didn’t change while the antioxidant properties were changed. Theobromine indicated the most antioxidant property at 263.15 K. Therefore, this situation should be taken into consideration in order to benefit more from the antioxidant properties of theobromine in the field of health and pharmaceuticals.

Abstract

Theobromine exists in cocoa, which has an antioxidant ingredient. It is also affect our nervous system. For this reason, it’s very important to know the properties of the theobromine. Theobromine is an experimentally studied molecule in the health and pharmaceutical fields. However, there are not many studies on theobromine properties in the theoretical field. Here, we show how theobromine electronic and antioxidant properties change with temperature theoretically. The calculations, were done by using Density Functional Theory (DFT), at B3LYP/6-31G(d,p) level. Six different temperature values (263.15 K, 273.15 K, 288.15 K, 298.15 K, 318.15 K, 328.15 K) were taken into account. Our results presented that the electronic structure of the theobromine didn’t change while the antioxidant properties were changed. Theobromine indicated the most antioxidant property at 263.15 K. Therefore, this situation should be taken into consideration in order to benefit more from the antioxidant properties of theobromine in the field of health and pharmaceuticals.

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Bu Makaleye Atıf Yap

KİRAZ, A. Ö. (2022). Temperature Effect of the Theobromine’s Electronic and Antioxidant Properties. International Journal of Secondary Metabolite, Cilt: 6 - Sayı: 1, 90–97. https://ajindex.com/articles/541679

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Kaynakça (2)

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