Band Gap Tuning in Mercaptoacetic Acid Capped Mixed Halides Perovskites and Effect of Solvents on Their Fluorescence Dynamics: A Potential Sensor for Polarity.

From synthesis to application, there are always certain interactions between the polar solvents and perovskite nanocrystals (NCs). To explain the effect of solvent polarity especially on the photoluminescence (PL) properties of NCs is highly desirable, especially for sensing applications. Herein We have synthesized the methylammonium lead mixed halides (MAPbClBr, where n = 0, 0.

Engineering of self-assembled silver-peptide colloidal nanohybrids with enhanced biocompatibility and antibacterial activity.

Several bacterial strains have developed resistance against commercial antibiotics, and interestingly, supramolecular nanomaterials have shown considerable advantages for antibacterial applications. However, the main challenges in adopting nanotechnology for antibacterial studies are random aggregation, compromised toxicity, multi-step preparation approaches, and unclear structure-function properties. Herein, we designed the amphiphilic tripeptide that acts as a reducing and capping agent for silver metal to form silver-peptide colloidal nanohybrids with the mild assistance of UV light (254 nm) through the photochemical reduction method.

Efficient O-O Coupling at Catalytic Interface to Assist Kinetics Optimization on Concerted and Sequential Proton-Electron Transfer for Water Oxidation.

A catalyst kinetics optimization strategy based on tuning active site intermediates adsorption is proposed. Construction of the M-OOH on the catalytic site before the rate-determining step (RDS) is considered a central issue in the strategy, which can optimize the overall catalytic kinetics by avoiding competition from other reaction intermediates on the active site. Herein, the kinetic energy barrier of the O-O coupling for as-prepared sulfated Co-NiFe-LDH nanosheets is significantly reduced, resulting in the formation of M-OOH on the active site at low overpotential, which is directly confirmed by in situ Raman and charge transfer fitting results.

In Silico Structural and Functional Analyses of NLRP3 Inflammasomes to Provide Insights for Treating Neurodegenerative Diseases.

Inflammasomes are cytoplasmic intracellular multiprotein complexes that control the innate immune system's activation of inflammation in response to derived chemicals. Recent advancements increased our molecular knowledge of activation of NLRP3 inflammasomes. Although several studies have been done to investigate the role of inflammasomes in innate immunity and other diseases, structural, functional, and evolutionary investigations are needed to further understand the clinical consequences of NLRP3 gene.

Antifungal Drugs Shortage in India amidst Looming Increase in Invasive Fungal Infections among COVID-19 Patients: An Impending Crisis.

The widespread prevalence of fungal infections in the second wave of COVID-19 pandemic could be owed to ubiquitous and injudicious use of steroids and immunosuppressive nature of the virus. However, these fungal infections also meant increased use of antifungal drugs, hence endangering their supply. Amphotericin B is the first line drug for mucormycosis which was declared as an epidemic in India during the second wave.

BrainNet: Optimal Deep Learning Feature Fusion for Brain Tumor Classification.

Early detection of brain tumors can save precious human life. This work presents a fully automated design to classify brain tumors. The proposed scheme employs optimal deep learning features for the classification of FLAIR, T1, T2, and T1CE tumors.

Spontaneous Coronary Artery Dissection in a Postpartum Female: Case Report and Simplified Algorithm for its Diagnosis and Management.

Spontaneous coronary artery dissection is a rare, life-threatening cause of acute myocardial infarction that must always be considered in the differential diagnosis, particularly in young, healthy women with a paucity of typical risk factors for heart disease. We present a case of a 39-year-old White woman, three months postpartum, presenting with severe epigastric chest pain radiating to her neck. Subsequent workup using coronary angiography revealed spontaneous dissection of the distal left anterior descending artery.

Effect of Ni charge states on structural, electronic, magnetic, and optical properties of InN.

The first-principles study of Ni-doped InN has been carried out to explore the doping effect of various charge states of Ni on the structural, electronic, magnetic, and optical properties of InN using generalized gradient approximation. Structural properties like lattice parameters, aspect ratios, bond lengths, and formation energies of (In, Ni) N are used to determine the stability of each doped system. The formation energies of (In, Ni)N systems decrease with the increase in charge state of nickel, while the bond lengths show an opposite trend.

Fabrication and electrical characterization of p-Cu2O/n-ZnO heterojunction.

The conducting metal oxide (ZnO, Cu2O) films were used for fabrication of p-n heterojunction by rf sputtering and electrodeposition techniques respectively. The as synthesized films were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), UV spectroscopy and electrical techniques. The electrical properties of the p-Cu2O/n-ZnO heterojunction were examined using the current-voltage measurements.

Structural, elastic constant, and vibrational properties of wurtzite gallium nitride: a first-principles approach.

Perdew-Wang proposed generalized gradient approximation (GGA) is used in conjunction with ultrasoft pseudopotential to investigate the structural, elastic constant, and vibrational properties of wurtzite GaN. The equilibrium lattice parameters, axial ratio, internal parameter, bulk modulus, and its pressure derivative are calculated. The effect of pressure on equilibrium lattice parameters, axial ratio, internal parameter (u), relative volume, and bond lengths parallel and perpendicular to the c-axis are discussed.

First-principle electronic, elastic, and optical study of cubic gallium nitride.

The ab initio pseudopotential (PP) method within the generalized gradient approximation (GGA) has been used to investigate the electronic, elastic constants, and optical properties of zinc-blende GaN. An underestimated band gap along with higher DOS and squeezed energy bands around the fermi level is obtained. The d-band effect is briefly discussed for electronic band structure calculations.