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

Predicting crack initiation life (CIL) of a mechanical component or a structure in service remains difficult since the crack formation process is of stochastic nature. To ensure a high level of safety and reliability, it is essential to have an appropriate probability distribution law of the CIL to ensure that cracks can be detected before reaching...

By R. Yahiaoui, R. Noureddine, B. Ait Saadi

This paper presents a numerical investigation of mixed convection heat transfer around a pair of identical circular cylinders placed in side-by-side arrangement inside a square cavity of single inlet and outlet ports. The investigation provided the analysis of gradual effect of aiding thermal buoyancy on upward flow around cylinders and its effect ...

By H. Laidoudi

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