Rashba splitting in polar-nonpolar sandwich heterostructure : A DFT Study

In this study, we employ density functional theory (DFT) based first-principles calculations to investigate the spin-orbit effects in the electronic structure of a polar-nonpolar sandwich heterostructure namely LAO$_{2.5}$/STO$_{5.5}$/LAO$_{2.5}$. Our focus on the Ti-3d bands reveals an inverted ordering of the STO-$\rm t_{2g}$ orbital near the n-type interface, consistent with earlier experimental work. In contrast, toward the p-type interface, the orbital ordering aligns with the natural ordering of STO orbitals, influenced by crystal field splitting. Interestingly, we have found a strong inter-orbital coupling between $t_{2g}$ and $e_g$ orbital, which has not been reported earlier in $\rm SrTiO_3$ based 2D system. Additionally, our observations highlight that the cubic Rashba splitting in this system surpasses the linear Rashba splitting, contrary to experimental findings. This comprehensive analysis contributes to a refined understanding of the role of orbital mixing in Rashba splitting in the sandwich oxide heterostructures

Evidence of linear and cubic Rashba effect in non-magnetic heterostructure

The LaAlO3/KTaO3 system serves as a prototype to study the electronic properties that emerge as a result of spin-orbit coupling. In this article, we have used first-principles calculations to systematically study two types of defect-free (0 0 1) interfaces, which are termed as Type-I and Type-II. While the Type-I heterostructure produces a two-dimensional electron gas, the Type-II heterostructure hosts an oxygen-rich two-dimensional hole gas at the interface. Furthermore, in the presence of intrinsic spin-orbit coupling, we have found evidence of both cubic and linear Rashba interactions in the conduction bands of the Type-I heterostructure. On the contrary, there is spin-splitting of both the valence and the conduction bands in the Type-II interface, which are found to be only linear Rashba type. Interestingly, the Type-II interface also harbours a potential photocurrent transition path, making it an excellent platform to study the circularly polarized photogalvanic effect

Hidden human capital: psychological empowerment and adolescent girls’ aspirations in India

This paper studies the role of social-emotional or psychological capital in determining the education and employment aspirations of adolescent girls and young women in India. The study finds that girls’ self-efficacy and mental health are important determinants of their educational and employment aspirations, suggesting that these hidden forms of human capital may serve as critical targets for interventions aiming to alter girls’ educational and economic trajectories. The study also identifies factors that correlate with girls’ level of self-efficacy, and finds that an “enabling” and supportive family and community environment appears to be important

Therapeutic role of resveratrol against hepatocellular carcinoma: A review on its molecular mechanisms of action

Introduction: Resveratrol is an important phenolic phytochemical isolated from grapes and peanuts. Consumption of grapes and peanuts in the form of wines and delicacies has been a traditional practice since ancient times because of its flavor and therapeutic potential against wide range of diseases. The current review article aims to summarize various metabolic and cell signaling pathways that are modulated by resveratrol in order to inhibit development and progression of hepatocellular carcinoma. Methodology: An extensive literature survey of major scientific journals databases including ScienceDirect and Medline was undertaken using keywords “hepatocellular carcinoma, resveratrol”. A detailed analysis of relevant research articles has led to delineation of various mechanisms of action of resveratrol against hepatocellular carcinoma models. Results: Literature search resulted in screening of 144 research publications, of which 103 research publications were published in last 10 years. However, in the last decade, no review article has been published summarizes various mechanisms of action of resveratrol against hepatocellular carcinoma. Our detailed analysis of relevant research publications led to summarization of reports of various mechanism of actions of resveratrol against hepatocellular carcinoma. Discussion/conclusion: Resveratrol has the potential to protect the liver against development of early-stage hepatocellular carcinoma. It also triggers apoptosis of abnormally proliferating hepatocytes. Metastasis and angiogenesis that are hallmarks of advanced cancer stage, are also significantly attenuated by resveratrol. Additionally, resveratrol, in combination with standard drugs and nutraceuticals may significantly enhance their therapeutic efficacy via chemosensitization and synergistic mechanisms, respectively

Lipid-based nanocarrier efficiently delivers highly water soluble drug across the blood–brain barrier into brain

Delivering highly water soluble drugs across blood–brain barrier (BBB) is a crucial challenge for the formulation scientists. A successful therapeutic intervention by developing a suitable drug delivery system may revolutionize treatment across BBB. Efforts were given here to unravel the capability of a newly developed fatty acid combination (stearic acid:oleic acid:palmitic acid = 8.08:4.13:1) (ML) as fundamental component of nanocarrier to deliver highly water soluble zidovudine (AZT) as a model drug into brain across BBB. A comparison was made with an experimentally developed standard phospholipid-based nanocarrier containing AZT. Both the formulations had nanosize spherical unilamellar vesicular structure with highly negative zeta potential along with sustained drug release profiles. Gamma scintigraphic images showed both the radiolabeled formulations successfully crossed BBB, but longer retention in brain was observed for ML-based formulation (MGF) as compared to soya lecithin (SL)-based drug carrier (SYF). Plasma and brain pharmacokinetic data showed less clearance, prolonged residence time, more bioavailability and sustained release of AZT from MGF in rats compared to those data of the rats treated with SYF/AZT suspension. Thus, ML may be utilized to successfully develop drug nanocarrier to deliver drug into brain across BBB, in a sustained manner for a prolong period of time and may provide an effective therapeutic strategy for many diseases of brain. Further, many anti-HIV drugs cannot cross BBB sufficiently. Hence, the developed formulation may be a suitable option to carry those drugs into brain for better therapeutic management of HIV

Probing the binding interaction of zinc (II) Schiff bases with bovine serum albumin: A spectroscopic and molecular docking study

Entrapping of potent Schiff base with biomimetic environment using fluorescence properties enables better understanding of their interaction for drug-based application. A detailed photophysical study of zinc (II) Schiff bases, 2,6-bis((E)-((2-(dimethylamino) ethyl)imino)methyl)-4-R-phenol, where R = methyl/tertiary butyl/chloro is reported by utilizing bovine serum albumin (BSA) as the bio membrane. Steady state absorption and emission studies of Schiff base-protein system have been found to get altered by change in the compartmental ligand. Alternation of polarity caused by such compartmental ligands is reported by comparing the fluorescence behavior of the probes in microheterogeneous environment in a mixture of dioxane and water of varying composition. Hildebrand equation accounts for negative binding constants among BSA with Schiff base with Cl (-I) group as the compartmental ligand in contrast to the positive magnitudes with ligands exhibiting +I effect. Functionality of such compartmental ligands (intra interactions studied using Hirshfeld analyses) upon binding with the protein is also studied in terms of quenching and denaturation studies. Schiff base with Me is found to be the most favorable ligand that bound to BSA as corroborated from the binding, quenching, micropolarity, and docking studies. Molecular docking studies predict the affinity energies for suitable binding conformations to be similar to - 6 kcal mol(-1) for BSA-Schiff base (with Me ligand)