1‐Acetyl‐3‐[1‐(4‐methoxyphenyl)‐2‐oxopropylidene]‐1H‐indol‐2(3H)‐one: a twinned crystal

The crystal of the title compound, C₂₀H₁₇NO₄, which was used for collecting intensity data was twinned. Each of the two crystallographically independent mol­ecules in the asymmetric unit has a planar indole moiety perpendicular to a planar oxo­propyl moiety. The distribution of the bonds at the central C atom joining the oxo­propyl, phenyl and indole substituents is also planar. The packing is stabilized by intermolecular C—H?O interactions, as well as by dipole–dipole and van der Waals interactions.     

Synthesis of substituted salicylamines and dihydro-2H-1,3-benzoxazines

Phenols were converted to their magnesium salts with the MgCl₂-Et₃N base system and subsequently reacted with Eschenmoser's salt, affording N,N-dimethyl substituted benzylamines in high to excellent yields. A series of mono N-substituted benzylamines were prepared in one-pot syntheses by ortho-formylation of phenols to corresponding salicylaldehydes, which in turn reacted with amines to imines. The imines were subsequently reduced to mono N-substituted benzylamines. Some of these benzylamines were further converted, without work-up, to mono N-substituted dihydro-2H-1,3-benzoxazines.     

Kinetics and mechanism of the oxidation of a ternary complex involving nitrilotriacetatocobaltate(II) and succinic acid by N-bromosuccinimide

The kinetics of oxidation of [Co^IINS(H₂O)₂]^3– by N-bromosuccinimide (NBS) in aqueous solution has been studied spectrophotometrically in the 20–40 °C range. The reaction is first order each in [NBS] and [Co^IINS(H₂O)₂]^3–, and the rate of reaction increases with increasing pH between 6.64 and 7.73. The thermodynamic activation parameters have been calculated. The experimental rate law is consistent with a mechanism in which the deprotonated [Co^IINS(H₂O)(OH)]^4– is considered to be the most reactive species compared to its conjugate acid. It is assumed that electron transfer takes place via an inner-sphere mechanism.     

Aggregation dependent fluorescence switching in benzothiazole derivative based H-bonded mesogen

In this work, hydrogen-bonded liquid crystal exhibiting phase dependent fluorescence has been reported. The H-bonded materials were prepared using pyridenyl benzothiazole and alkoxy benzoic acid as H-bond acceptor and donor respectively. The formation of the target materials was confirmed via different spectroscopic technique and their mesogenic behaviour has been studied through polarising optical microscope, differential scanning calorimetry and 2D-X-ray diffraction. The H-bonded mesogenic material showed aggregation dependent fluorescence switching when subjected to transformation from isotropic-nematic-crystalline phase sequence. Computational studies were performed to probe into fluorescence switching behaviour of the mesogenic material.     

Green Synthesis of Silver Nanoparticles Using an Aqueous Extract of <Emphasis Type="Italic">Monotheca buxifolia</Emphasis> (Flac.) Dcne

This study deals with the synthesis and physicochemical investigation of silver nanoparticles using an aqueous extract of Monotheca buxifolia (Flac.). On the treatment of aqueous solution of silver nitrate with the plant extract, silver nanoparticles were rapidly fabricated. The synthesized particles were characterized by using UV–visible spectrophotometry (UV), Fourier transform infrared spectroscopy (FTIR), Energy dispersive X-ray (EDX) and Scanning electron microscopy (SEM). The formation of AgNPs was confirmed by noting the change in colour through visual observations as well as via UV–Vis spectroscopy. UV–Vis spectrum of the aqueous medium containing silver nanoparticles showed an absorption peak at around 440 nm. FTIR was used to identify the chemical composition of silver nanoparticles and Ag-capped plant extract. The presence of elemental silver was also confirmed through EDX analysis. The SEM analysis of the silver nanoparticles showed that they have a uniform spherical shape with an average size in the range of 40–78 nm. This green system showed better capping and stabilizing agent for the fine particles. Further, in vitro the antioxidant activity of Monotheca buxifolia (Flac.) and Ag-capped with the plant was also evaluated using FeCl₃/K₃Fe (CN)₆ essay.     

Structural evolution of the chromophore in the primary stages of trans/cis isomerization in photoactive yellow protein

We have studied the structural changes induced by optical excitation of the chromophore in wild-type photoactive yellow protein (PYP) in liquid solution with a combined approach of polarization-sensitive ultrafast infrared spectroscopy and density functional theory calculations. We identify the nuC8-C9 marker modes for solution phase PYP in the P and I0 states, from which we derive that the first intermediate state I0 that appears with a 3 ps time constant can be characterized to have a cis geometry. This is the first unequivocal demonstration that the formation of I0 correlates with the conversion from the trans to the cis state. For the P and I0 states we compare the experimentally measured vibrational band patterns and anisotropies with calculations and find that for both trans and cis configurations the planarity of the chromophore has a strong influence. The C7=C8-(C9=O)-S moiety of the chromophore in the dark P state has a trans geometry with the C=O group slightly tilted out-of-plane, in accordance with the earlier reported structure obtained in an X-ray diffraction study of PYP crystals. In the case of I0, experiment and theory are only in agreement when the C7=C8-(C9=O)-S moiety has a planar configuration. We find that the carboxylic side group of Glu46 that is hydrogen-bonded to the chromophore phenolate oxygen does not alter its orientation on going from the electronic ground P state, via the electronic excited P state to the intermediate I0 state, providing conclusive experimental evidence that the primary stages of PYP photoisomerization involve flipping of the enone thioester linkage without significant relocation of the phenolate moiety.     

A new spectrophotometric method for the determination of promethazine-HCl from pure and pharmaceutical preparations

Promethazine-HCl reacts with potassium persulphate to give a pinkish red color complex exhibiting maximum absorbance at 515 nm. The reaction is selective for promethazine-HCl, with 1 μg/mL as visual limit of identification and provides a basis for a new spectrophotometric determination method. The color forming reaction obeys Beer's Law from 0.001 to 0.125 mg/mL of promethazine-HCl. The relative standard deviation does not exceed 0.005 mg/mL. The method is successfully applied to pure and pharmaceutical formulations of promethazine-HCl. The quantitative assessment of tolerable amounts of possible interferants was also studied. The results are reproducible within ±1% and in good agreement with those obtained by the standard procedure.     

Viscosities and Refractive Indices of Binary Mixtures of Dimethylsulphoxide with Some Aromatic Hydrocarbons at Different Temperatures: An Experimental and Theoretical Study

The viscosities, η, and refractive indices, n, of pure dimethylsulphoxide (DMSO), benzene, toluene, o‐xylene, m‐xylene, p‐xylene and mesitylene, and those of their 54 binary mixtures, with DMSO as common component, covering the whole composition range have been measured at 298.15, 303.15, 308.15, 313.15, and 318.15 K. From the experimental data, the deviations in viscosity, Δη and deviations in molar refraction, ΔR_m have been calculated. The variation of these parameters with composition and temperature of the mixtures have been discussed in terms of molecular interaction in these mixtures. The effect of the number and position of the methyl groups in these aromatic hydrocarbons on molecular interactions in these mixtures has also been discussed. The free energies, ΔG^*, enthalpies, ΔH^* and entropies, ΔS^* of activation of viscous flow have also been obtained by using Eyring viscosity equation. The ΔH^* values were found independent of temperature. The dependence of these thermodynamic parameters on composition of the mixtures has been discussed. Further, the viscosities and refractive indices of these binary mixtures were calculated theoretically from pure component data by using various empirical and semi‐empirical relations and the results were compared with the experimental findings.