Semiconducting materials, especially with a direct band gap, are helpful for modern photovoltaic and optoelectronic device fabrication. Here, based on density functional theory calculations, we predict the electronic magnetic properties of Rb2Mn3S4 by using full potential local orbital code. Considering different configurations such as nonmagnetic, ferromagnetic, ferrimagnetic, antiferro...

Infectious bursal disease (IBD) is an acute, highly contagious, and immunosuppressive avian disease caused by IBD virus (IBDV). MicroRNAs (miRNAs) are involved in host-pathogen interactions and innate immune response to viral infection. However, the role of miRNAs in host response to IBDV infection is not clear. We report here that gga-miR-155 acts as an anti-virus host factor inhibiting IBDV r...

Iron oxides are materials of wide interest that exhibit diverse electric, magnetic, optical, and catalytic properties; therefore, many studies to gain complete understanding of their polytypic phase boundary have been pursued. However, firstprinciples investigations of iron oxides using conventional density functional theory (DFT) calculations often yield a gross error due to the strong electro...

We report structural and electronic properties of ZrS2 monolayer within density functional theory (DFT) by inclusion of Hubbard on-site Coulomb and exchange interactions. The importance of on-site interactions for both ZrS2 bulk and monolayer has been highlighted that significantly improves the electronic band-gap. It is demonstrated that mechanical strain induces structural phase transition th...

In this study, theoretical investigations of Li2MSiO4 family cathode materials, including Li2MnSiO4, Li2FeSiO4, Li2CoSiO4, and Li2NiSiO4 are performed using density functional theory (DFT), by GGA and GGA+U methods. The materials properties including electrical conductivity and rate cap...

Absrract-This work IS a continuation of our earlier work on the Generalized Guard-zones Algorithm (GGA) for self-supervised parameter learning. An atlempt is made here for the automatic determination of the guard-zone parameter i' N (i.e. the threshold used for discarding doubtful or mislabeled samples) at every instant of learning, for the general m-elass N-featu re pattern recognition problem...

Acute ultraviolet (UV) B exposure causes photokeratitis and induces apoptosis in corneal cells. Geranylgeranylacetone (GGA) is an acyclic polyisoprenoid that induces expression of heat shock protein (HSP)70, a soluble intracellular chaperone protein expressed in various tissues, protecting cells against stress conditions. We examined whether induction of HSP70 has therapeutic effects on UV-phot...