The antioxidant activity of bergaptol (4-hydroxyfuro[3,2-g]chromen-7-one, BER) and xanthotoxol (9-hydroxyfuro[3,2-g]chromen-7-one, XAN) was investigated in water and benzene, as solvents. For this purpose, the density functional theory (DFT) was used. The free radical scavenging potency of investigated compounds towards different reactive oxygen sp...

By Žiko Milanović, Marko Antonijević, Jelena Đorović, Dejan Milenković

Free radical scavenging potency of physiologically active equol molecule, derived by gut microbiota from soy isoflavone daidzein, was investigated by using M06-2X/6-311++G(d,p) level of theory, accompanied with the TST and Eckart tunneling corrections for the estimation of rate constants. Phenolic hydrogens of equol are recognized as much more abst...

By Ana Amić, Dejan Milenković, Jasmina Dimitrić Marković, Zoran Marković

The relationship between the resolvent and Estrada indices for the alkanes has been recently demonstrated. That relationship involved the first Zagreb index besides these two eigenvalue-based molecular descriptors. In this paper, the quality of the correlation is tested in the case of isomeric benzenoid hydrocarbons, where the first Zagreb index is...

By Izudin Redžepović, Boris Furtula

The antioxidant activity of cynodontin was studied in the absence and the presence of free radical species. This in silico study was performed in water and benzene, with the aim to simulate polar and non-polar environment. To determine the most probable mechanism of antioxidant action, density functional theory (DFT) was employed. The change in rea...

By Jelena Đorović, Marko Antonijević, Zoran Marković

In the present paper, M05-2X/6-311+G(d,p) level of theory was used to investigate antiradical activity of cyanidin towards highly damaging radical species (.OH, .OCH3, .OOH and .OOCH3). The applied method successfully reproduces the values of reaction enthalpies (ΔHBDE, ΔHIP, and ΔHPA). These parameters are important to determine ...

By Dejan Milenković, Jelena Đorović, Edina Avdović, Žiko Milanović, Marko Antonijević

A stress-strain history in the material of real concrete structures is usually unknown. An effect of concrete degradation is analyzed to describe how the initial degradation parameter can describe the stress-strain history. The idea is to introduce the initial damage of the structure by the degradation parameter to calculate the internal variables ...

By Dragan Rakić, Vladimir Dunić, Miroslav Živković, Nenad Grujović, Dejan Divac

This work deals with fatigue behaviour of cracked aircraft structural components under cyclic loads of constant amplitudes and load spectrum. This investigation is focused on developing efficient and reliable computational methods for fatigue life estimation of cracked aircraft lugs under cyclic loads of constant amplitude and load spectrum. For cr...

By Katarina Maksimovic, Slobodanka Boljanovic, Mina Djuric, Ivana Vasovic Maksimovic, Mirko Maksimovic

The onset of thermal instability in a dielectric rotating nanofluid layer saturating a porous medium with vertical AC electric field is investigated by employing Darcy model for porous medium. The rheology of the nanofluid is described by Walters’ (model B’) for calculating the shear stresses from the velocity gradients. The employed mo...

By Gian C. Rana, Poonam Gautam, Hemlata Saxena

The article proposed a general research scheme of heat transfer process in multilayer constructions for three basic geometric forms in order to simulate fire distribution. The scheme is based on linear differential equations, the Fourier method and the modified method of Eigen functions. The work considers five different layers’ design and do...

By Roman M. Tatsiy, Oleg Yu Pazen, Sergiy Ya. Vovk, Lubomyr Ya. Ropyak, Tetiana O. Pryhorovska

This article discusses a method for calculating the dynamic characteristics of thin-walled viscoelastic composite pipes made by continuous winding under the influence of internal hydrodynamic pressures. The solution is based on an approximate energy method based on the instant theory of shells and the second-order Lagrange equation. Initial technol...

By Muhsin Kh. Muhsin Kh., Ismail I. Safarov, Mirziyod Mirsaidov