Greener approach toward synthesis of biologically active s-Triazine (TCT) derivatives: A recent update

The greener methodology to synthesize s-triazine derivatives (also known as TCT) is described, including synthesis through microwave, ultrasound, and solvent-free conditions. This review mainly focuses on reactions of TCT (2,4,6-trichloro-1,3,5-triazine) with various substituents having amine and hydroxy functionalities to give corresponding triazine derivatives under a greener approach. The results of reactions indicate that, unlike classical methods, green methods result in better yields of the product, through a rapid reaction, under mild reaction conditions, and by easy workup procedures.     

Electrocatalytic sensing of omeprazole

Ionics - A novel, simple, sensitive, and highly selective omeprazole sensor based on the synergistic effect of polyaniline (PANI) and multiwalled carbon nanotubes (MWCNTs) has been developed. The...     

Activities of Hydrolases and Oxidases as Influenced by the Application of Monocrotophos in Sandy Loam Soil of Rajasthan

Continuous and repeated use of pesticides affects soil microbial flora and fauna and hence indirectly affects the activity of diverse microbial enzymes present within it. The present study investigates the interaction effect of different concentrations of monocrotophos on diverse hydrolases and oxidases, viz., protease, alkaline phosphatase, acid phosphatase, cellulase, amylase, invertase, arginine deaminase, and dehydrogenase, present in sandy loam soil of Rajasthan under in vitro conditions for 30 days. Soil sample was inoculated with three different concentrations of monocrotophos, viz., 50, 100, and 150 μg kg^-1, and incubated in dark at room temperature. At regular interval of 5 days, sample was withdrawn and enzyme activity was calculated and compared with that of control. Application of various concentrations of monocrotophos enhanced the activity of diverse enzymes present in soil. Therefore, the study revealed synergistic or additive effect of monocrotophos on all the tested microbial enzyme entities. Increasing concentration of the pesticide, however, poses an antagonistic interaction on the increment of different enzymes activities. Therefore, it can be concluded from the study that monocrotophos impose a positive effect at low concentration of pesticide, whereas high concentration poses negative effect on the activity of different enzymes present in soil.     

Synthesis and characterization of some acetoxime-modified hetero-metal alkoxide precursors of zinc(II) and aluminum(III) for sol–gel transformation to nano-sized ZnAl2O4

Reactions of [ZnAl₂(OPr_i)₈] [A] with acetoxime in different molar ratios in refluxing anhydrous benzene, yield complexes of the type [ZnAl₂(OPrⁱ)_8?n{(CH₃)₂CNO}_n] {where, n = 1–4}. All the complexes are transparent viscous/foamy solids. They were characterized by elemental analyses, FT-IR and NMR (¹H, ¹³C {¹H}) spectral studies. ²⁷Al NMR spectrum of [ZnAl₂(OPrⁱ)₄{(CH₃)₂CNO}₄] [4] in CDCl₃ suggests presence of four coordination around both the aluminum atoms. IR spectra suggest that the oximato ligands bind the aluminum atoms in a side on manner in all the complexes. The ESI-mass spectrum of the representative derivative [4] suggests its monomeric nature while the thermo-gravimetric curve shows its low thermal stability. Sol–gel transformations of the precursors (A), (1), and (4) yielded nano-sized ZnAl₂O₄ samples (a), (b) and (c) at ~500 °C, respectively. The XRD patterns of (a), (b) and (c) indicate formation of cubic phase nano-sized zinc aluminate in all the samples. Surface morphologies of these samples were investigated by SEM images. IR spectra as well as EDX analyses indicate formation of pure zinc aluminate in all the cases. TEM image of sample (c) shows spherical (~5–8 nm) morphology.     

Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory

Thermal storage and transfer fluids have important applications in industrial, transportation, and domestic settings. Current thermal fluids have relatively low specific heats, often significantly below that of water. However, by introducing a thermochemical reaction to a base fluid, it is possible to enhance the fluid's thermal properties. In this work, density functional theory (DFT) is used to screen Diels–Alder reactions for use in aqueous thermal fluids. From an initial set of 52 reactions, four are identified with moderate aqueous solubility and predicted turning temperature near the liquid region of water. These reactions are selectively modified through 60 total functional group substitutions to produce novel reactions with improved solubility and thermal properties. Among the reactions generated by functional group substitution, seven have promising predicted thermal properties, significantly improving specific heat (by as much as 30.5%) and energy storage density (by as much as 4.9%) compared to pure water.     

Design and pharmacophoric identification of flavonoid scaffold-based aromatase inhibitors

Aromatase is a crucial enzyme for the catalysis of aromatization reaction at the last and rate-limiting step involved in the conversion of androgenic substrates to an estrogenic substrate. A hormone-dependent breast cancer in postmenopausal woman can be cured by inhibition of estrogen biosynthesis by the help of aromatase inhibitors (AIs). The mode of interactions of flavonones with the active site of aromatase has been studied in search of potent and selective AIs as a substitute of the natural steroidal ligand. Structure-based computational approach namely, molecular docking simulations were performed to investigate the structural features of the docked complex of aromatase and flavonoid ligands. A nonsteroidal flavonoid pharmacophore showing electrostatic and steric features for selective binding within the main pocket of the catalytic active site of aromatase has been identified as an outcome of the study. The binding affinity of quercetin and isoflavone were predicted within aromatase. Isoflavone was used as a negative control to compare its binding affinities with the selected dataset. The predicted binding affinity of negative control isoflavone was in accordance with its in vitro AI efficacy. Isoflavone showed poor binding affinity and ranked last in terms of MolDock score (−86.309 kcal/molÅ) compared to dataset molecules. The generated pharmacophoric information will be helpful for the synthetic chemist to design and synthesize selective AIs with comparable binding affinity to the natural steroidal ligand.     

Phosphonate‐Modified UiO‐66 Brønsted Acid Catalyst and Its Use in Dehydra‐Decyclization of 2‐Methyltetrahydrofuran to Pentadienes

Phosphorus‐modified all‐silica zeolites exhibit activity and selectivity in certain Brønsted acid catalyzed reactions for biomass conversion. In an effort to achieve similar performance with catalysts having well‐defined sites, we report the incorporation of Brønsted acidity to metal–organic frameworks with the UiO‐66 topology, achieved by attaching phosphonic acid to the 1,4‐benzenedicarboxylate ligand and using it to form UiO‐66‐PO₃H₂ by post‐synthesis modification. Characterization reveals that UiO‐66‐PO₃H₂ retains stability similar to UiO‐66, and exhibits weak Brønsted acidity, as demonstrated by titrations, alcohol dehydration, and dehydra‐decyclization of 2‐methyltetrahydrofuran (2‐MTHF). For the later reaction, the reported catalyst exhibits site‐time yields and selectivity approaching that of phosphoric acid on all‐silica zeolites. Using solid‐state NMR and deprotonation energy calculations, the chemical environments of P and the corresponding acidities are determined.     

Alteration in Cross Diffusivities Governs the Nature and Dynamics of Spatiotemporal Pattern Formation

Realizing spatiotemporal patterns out of a chemical reaction diffusion system remains an experimental challenge owing to the difficulty in overcoming the stringent condition of diffusion driven instability. Herein, by considering the spatially extended Gray-Scott model system, we have investigated how the cross diffusivities of the reactants involved influence the nature and dynamics of spatiotemporal patterns. Our study unravels that in absence of diffusion driven instability, spatially inhomogeneous patterns can be obtained for the Gray-Scott model system, and unstable time dependent patterns can be stabilized just by adjusting cross diffusivities of the reactants. Interestingly, the effect of cross diffusion in presence of the diffusion driven instability can differentially alter the speed of pattern formation, and potentially modify the nature of the spatiotemporal patterns obtained under different parametric conditions. Experimental verification of our findings may allow us to observe spatiotemporal patterns beyond the regime of classical Turing instability.     

Temporal Instability of Acoustic Wave in a Semiconductor Plasma Medium under Momentum Mismatched Condition

Physics of the Solid State - Temporal instability of acoustic wave is investigated in an infinite semiconductor plasma using classical hydrodynamic approach. We consider a homogeneous semiconductor...     

Determination of isotopic composition of boron

Investigations were carried out on the determination of isotopic composition of boron using Cs₂BO ₂ ⁺ ion and thermal ionisation mass spectrometry. The results show distinct advantage over the normally used Na₂BO ₂ ⁺ ion.