Correction and removal of expression of concern: Enhancement of anti-leukemic potential of 2-hydroxyphenyl-azo-2'-naphthol (HPAN) on MOLT-4 cells through conjugation with Cu(ii).

[This corrects the article DOI: 10.1039/C3RA44765K.].

High-Throughput Computational Search for Half-Metallic Oxides.

Half metals are a peculiar class of ferromagnets that have a metallic density of states at the Fermi level in one spin channel and simultaneous semiconducting or insulating properties in the opposite one. Even though they are very desirable for spintronics applications, identification of robust half-metallic materials is by no means an easy task. Because their unusual electronic structures emerge from subtleties in the hybridization of the orbitals, there is no simple rule which permits to select a priori suitable candidate materials.

Mechanical Properties of Chemically Modified Clay.

Serpentine clay minerals are found in many geological settings. The rich diversity, both in chemical composition and crystal structure, alters the elastic behavior of clay rocks significantly, thus modifying seismic and sonic responses to shaley sequences. Computation of the elastic properties is a useful tool to characterize this diversity.

Improved electronic structure and magnetic exchange interactions in transition metal oxides.

We discuss the application of the Agapito Curtarolo and Buongiorno Nardelli (ACBN0) pseudo-hybrid Hubbard density functional to several transition metal oxides. For simple binary metal oxides, ACBN0 is found to be a fast, reasonably accurate and parameter-free alternative to traditional DFT  +  U and hybrid exact exchange methods. In ACBN0, the Hubbard energy of DFT  +  U is calculated via the direct evaluation of the local Coulomb and exchange integrals in which the screening of the bare Coulomb potential is accounted for by a renormalization of the density matrix.

Diterpenoids- potential chemopreventive and chemotherapeutic agents in leukemia.

Leukemia remains a major cause of death in both developing as well as developed nations worldwide. Development of novel therapeutic approaches is perceived to be the best strategy to combat this disease. Availability of limited effective drugs with least side effects is the major hurdle in treating leukemia.

Curcumin induces caspase mediated apoptosis in JURKAT cells by disrupting the redox balance.

Background: Curcumin has has been reported to exert anti-inflammatory, anti-oxidation and anti-angiogenic activity in various types of cancer. It has also been shown to induce apoptosis in leukemia cells. We aimed to unravel the role of the redox pathway in Curcumin mediated apoptosis with a panel of human leukemic cells.