A safe minimum standard,the elasticity of substitution,and the cleanup of the Ganges in Varanasi

Despite repeated calls for a thorough cleanup of water pollution in the Ganges river, there are only two papers in the social sciences by Batabyal and Beladi (2017, 2019) that have shed theoretical light on this cleanup problem and its connection to the sustainability of tourism in Varanasi. Hence, we extend the above‐mentioned analyses and focus on two specific questions. First, we introduce the notion of a safe minimum standard (SMS) into the study and show how to analyze a probabilistic model of the Ganges cleanup problem when the SMS is accounted for. Second, for a representative citizen of Varanasi, we study how the magnitude of the elasticity of substitution between a composite consumption good and water quality in the Ganges—modeled by the SMS—affects the tradeoff between consumption and water quality maintenance.     

An Anthracene-Based Metal-Organic Framework for Selective Photo-Reduction of Carbon Dioxide to Formic Acid Coupled with Water Oxidation

A Zr-based metal-organic framework has been synthesized and employed as a catalyst for photochemical carbon dioxide reduction coupled with water oxidation. The catalyst shows significant carbon dioxide reduction property with concomitant water oxidation. The catalyst has broad visible light as well as UV light absorption property, which is further confirmed from electronic absorption spectroscopy. Formic acid was the only reduced product from carbon dioxide with a turn-over frequency (TOF) of 0.69 h⁻¹ in addition to oxygen, which was produced with a TOF of 0.54 h⁻¹. No external photosensitizer is used and the ligand itself acts as the light harvester. The efficient and selective photochemical carbon dioxide reduction to formic acid with concomitant water oxidation using Zr-based MOF as catalyst is thus demonstrated here.     

An Expedient Synthesis of 5,11-Dimethylindolo[3,2-b]-carbazole,A Potent Ligand for the Receptor for TCDD

A new and efficient synthesis has been developed for the title indolocarbazole which has been indicated by a recent computer-aided study to be a potent ligand for the receptor for the naturally occurring carcinogen, TCDD.     

Recent advances of lead-free metal halide perovskite single crystals and nanocrystals: synthesis,crystal structure,optical properties,and their diverse applications

Lead halide hybrid perovskites have received massive research attention because of their unique inherent photophysical properties that driven them for potential application in the fields of photovoltaics, light-emitting devices, lasing, X-ray detector, and so on. Perovskite single crystals and nanocrystals are generally synthesized via various low-cost solution-processed techniques. The emergence of simple growth approaches of perovskite structures enable to fabricate low-cost and highly efficient devices. However, toxicity of Pb atoms and instability of perovskite structures obstruct further commercialization of these technologies. Recent efforts have been shifted to discover novel, eco-friendly, and stable lead-free metal halide perovskite (LFHP) materials and exploring their different growth processes for various device applications. This review aims to provide an up-to-date analysis of recent progress report on LFHPs and will mainly focus on their growth processes in the single crystalline and nanocrystalline forms. This review also tries to understand how the perovskite crystal structure impacts on their fundamental properties. In addition, we discuss the current progress in various field of applications and their future aspects.     

Theoretical investigation of the molecular structure,vibrational spectra,and molecular docking of tramadol using density functional theory

The optimized molecular structures, harmonic vibrational wavenumbers, and the corresponding vibrational assignments of (1S,2S)-tramadol and (1R,2R)-tramadol are computationally examined using the B3LYP density functional theory method together with the standard 6–311++G(d,p) and def2-TVZP basis sets. The optimized structures show that phenolic rings of both 1R,2R and 1S,2S tramadol adopt planar geometry, which are slightly distorted due to the substitution at the meta-position; and the six-membered cyclohexane adopts a slightly distorted chair conformation. The 1S,2S enantiomer is energetically more favorable than 1R,2R with the energy differences of 1.32 and 1.03 kcal/mol obtained at B3LYP/6–311++G(d,p) and B3LYP/Def2-TVZP levels, respectively. The analysis of the binding pocket in the silico molecular docking with the m-opioid receptor shows that it originated two clusters with the 1S,2S enantiomer and one cluster with the 1R,2R enantiomer of tramadol. The results point to a more stable complex of the m-opioid receptor with the 1R,2R enantiomer of tramadol.     

Investigation into the rotational bands of ~(185)Pt with the particle-rotor model

Theoretical calculations have been performed for the ν9/2+[624](i13/2) and ν7/2-[503](f7/2) bands of 185Pt in the framework of particle-rotor model. The band properties of signature splitting and configuration mixing have been analyzed. The level energy and signature splitting before the band crossing can be well interpreted by introducing triaxiality. The positive-parity yrast band is pro posed to be dominated by the ν9/2+[624](i13/2) component, while the negative-parity band shows strong mixing of ν7/2-[5...     

Electrical bistability and memory switching phenomenon in Cu2FeSnS4 thin films: role of p-n junction

Journal of Solid State Electrochemistry - Electrical bistability of Cu2FeSnS4 (CFTS) thin films fabricated via successive ionic layer adsorption and reaction (SILAR) method was studied here. The...     

Effect of absorbed pump power on the quality of output beam from monolithic microchip lasers

The dependence of the beam propagation factor (M ² parameter) with the absorbed pump power in the case of monolithic microchip laser under face-cooled configuration is extensively studied. Our investigations show that the M ₂ parameter is related to the absorbed pump power through two parameters (α and β) whose values depend on the laser material properties and laser configuration. We have shown that one parameter arises due to the oscillation of higher order modes in the microchip cavity and the other parameter accounts for the spherical aberration associated with the thermal lens induced by the pump beam. Such dependency of M ² parameter with the absorbed pump power is experimentally verified for a face-cooled monolithic microchip laser based on Nd³⁺ -doped GdVO₄ crystal and the values of α and β parameters were estimated from the experimentally measured data points.     

Modification of magnetic anisotropy in metallic glasses using high-energy ion beam irradiation

Heavy ion irradiation in the electronic stopping power region induces macroscopic dimensional change in metallic glasses and introduces magnetic anisotropy in some magnetic materials. The present work is on the irradiation study of ferromagnetic metallic glasses, where both dimensional change and modification of magnetic anisotropy are expected. Magnetic anisotropy was measured using Mössbauer spectroscopy of virgin and irradiated Fe₄₀Ni₄₀B₂₀ and Fe₄₀Ni₃₈Mo₄B₁₈ metallic glass ribbons. 90 MeV ¹²⁷I beam was used for the irradiations. Irradiation doses were 5×10¹³ and 7.5×10¹³ ions/cm². The relative intensity ratios D ₂₃ of the second and third lines of the Mössbauer spectra were measured to determine the magnetic anisotropy. The virgin samples of both the materials display in-plane magnetic anisotropy, i.e., the spins are oriented parallel to the ribbon plane. Irradiation is found to cause reduction in magnetic anisotropy. Near-complete randomization of magnetic moments is observed at high irradiation doses. Correlation is found between the residual stresses introduced by ion irradiation and the change in magnetic anisotropy.     

Human tryptophan dioxygenase: a comparison to indoleamine 2,3-dioxygenase

In contrast to the diverse superfamily of monooxygenases, there are only two classes of heme-containing dioxygenases in humans. One is tryptophan 2,3 dioxygenase (hTDO), and the other is indoleamine 2,3-dioxygenase (hIDO), both of which catalyze the oxidative degradation of Trp to N-formyl kynurenine. Although hTDO and hIDO catalyze the same reaction, they engage in distinct physiological functions. The molecular properties of hTDO, unlike hIDO, have never been explored in the past. Here, we report the first structural and functional characterization of hTDO with resonance Raman and optical absorption spectroscopies. We show that the proximal Fe-His stretching frequency of hTDO is 229 cm(-1), 7 cm(-1) lower than that of hIDO, indicating its weaker imidazolate character as compared to hIDO. In the CO derivative of the L-Trp-bound enzyme, the Fe-CO stretching and C-O stretching frequencies are 488 and 1972 cm(-1), respectively, suggesting that L-Trp binds to the distal pocket with its C2-C3 double bond facing the heme-bound ligand, in contrast to hIDO, in which the indole NH group forms an H-bond with the heme-bound ligand. Moreover, the Km values of hTDO for D-Trp and L-Trp are similar, but the kcat value for D-Trp is 10-fold lower than that for L-Trp. In contrast, in hIDO, the Km value for D-Trp is 700-fold higher than L-Trp, whereas the kcat values are comparable for the two stereoisomers. Taken together, the data indicate that the initial deprotonation reaction of the indole NH group in hTDO is carried out by the evolutionarily conserved distal His, whereas that in hIDO is performed by the heme-bound dioxygen; in addition, the stereospecificity of hTDO is determined by the efficiency of the dioxygen chemistry, whereas that in hIDO is controlled by the substrate affinity.