Antioxidant activity represents one of the important features of phenolic acids, such as hydroxyderivatives of cinnamic acid. However, in the case of cis-cinnamic acid derivatives, corresponding thermochemistry data can be still considered scarce. This work is focused on the two most relevant mechanisms of primary antioxidant action in gas-phase, n...

By Monika Biela, Peter Poliak, Andrea Kleinová, Vladimír Lukeš, Erik Klein

This study is focused on the joint effects of thermal radiation and magnetic field on an unsteady flow of natural convective, electrically conducting fluid past an irregular vertical channel in the presence of viscous dissipation. The magnetic field is applied normal to the channel. The coupled ordinary differential equations (ODE) are obtained usi...

By T. L. Oyekunle, S. A. Agunbiade

This research paper deals with a numerical algorithm based on the RCW method to solve a set of first-order ordinary differential equations. In this algorithm, the answer of each equation is considered as a polynomial of degree 2. The coefficients used in this polynomial are categorized into groups of free and fixed coefficients. The free coefficien...

By M. Rahmanzadeh, T. Asadi, M. Atashafrooz

An analytical model is developed for the flexural wave propagation of a continuous Timoshenko beam resting on elastic and metamaterial foundations. The metamaterial foundation consists of positive and negative springs with a damper. This added negative stiffness component is constructed in such a way to provide the same static stiffness and the sam...

By A. O. Oyelade, O. M. Sadiq

Ascorbyl radical is often used as a biomarker of oxidative stress in human organism. It is a product of the antioxidant activity of ascorbic acid and it is not expected to react further with biologically important molecules. For the first time, the reactivity of catecholamines and their precursors was investigated theoretically and experimentally t...

By Dušan Dimić, Đura Nakarada, Miloš Mojović, Jasmina Dimitrić Marković

In the current study, the interaction mechanisms between protonated neurotransmitters: octopamine (4-(2-amino-1-hydroxyethyl)phenol) and norepinephrine (4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol) with the β-1 adrenergic receptor (β1AR) were examined by molecular docking, molecular dynamics (MD) simulations and MM/PBSA free energy ca...

By Žiko Milanović, Dušan Dimić, Jasmina Dimitrić Marković, Marijana Stanojević-Pirković, Edina Avdović, Zoran Marković

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 effect of surface roughness on characteristics of magnetic fluid based squeeze film between porous circular plates is hypothetically analysed. The pressure distribution is obtained by solving concern Reynolds type equation with suitable boundary conditions and the result is utilized to obtain load carrying capacity. It is concluded that the loa...

By P. L. Thakkar, H. C. Patel

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

Erosion caused by solid particles in curve pipes is one of the major concerns in the oil and gas industries. Small solid particles flow with a carrier liquid fluid and impact the inner wall of the piping, valves, and other equipment. These components face a high risk of solid particle erosion due to the constant collision, which may result in equip...

By Mohammad Sheikh Mamoo, Ataallah Soltani Goharrizi, Bahador Abolpour