Computational Analyses of Alkaloids as Green Corrosion Inhibitors on Fe(110).

One of the successful techniques developed for the inhibition of metal corrosion is the utilization of phytochemicals from plant extracts as corrosion inhibitors. Theoretical studies are utilized to predict how organic components behave on metal surfaces and can pave the way for the development and synthesis of innovative, efficient corrosion inhibitors. However, atomic-level insights into the inhibition mechanisms of these green components are still needed.

Thermoelectric, spin-dependent optical and quantum transport properties of 2D half-metallic CoSe.

In this paper, the thermoelectric, spin-dependent optical and quantum transport properties of a two-dimensional (2D) CoSe monolayer are investigated using first principles calculations. The stability of the CoSe monolayer is confirmed by energy-cohesive calculations and phonon dispersion analysis. According to electronic and magnetic calculations, CoSe is a Dirac half-metal (DHM) with several Dirac cones around the Fermi level in the spin-down channel and exhibits intrinsic ferromagnetism with a high Curie temperature.

Estimation of methane gas by LandGEM model from Yasuj municipal solid waste landfill, Iran.

CH has a high potential for energy production and by utilizing the proper technology, large amounts of energy can be extracted from it. This study aimed to estimate the amounts of methane emissions from the municipal solid waste landfill in Yasuj city using LandGEM software. The LandGEM model which is used for this aim is based on input data of open landfill year, land closure year, methane production rate, potential methane production capacity, and waste acceptance rate.

Effect of Organic Solvents on Porcine Pancreatic Lipase Thermal Aggregation.

Background: Proteins tend to form inactive aggregates under harsh conditions used in industrial processes. Lipases are enzymes that hydrolyse triglycerides to glycerol and free fatty acids, but are able to catalyse various other transformations in the presence of organic solvents.

Objectives: The main objective of this study was to investigate lipases behavior at high temperature and in presence of organic solvents.

Ocular brachytherapy dosimetry for 103Pd and 125I in the presence of gold nanoparticles: a Monte Carlo study.

The aim of the present Monte Carlo study is to evaluate the variation of energy deposition in healthy tissues in the human eye which is irradiated by brachytherapy sources in comparison with the resultant dose increase in the gold nanoparticle (GNP)-loaded choroidal melanoma. The effects of these nanoparticles on normal tissues are compared between 103Pd and 125I as two ophthalmic brachytherapy sources. Dose distribution in the tumor and healthy tissues has been taken into account for both brachytherapy sources.