Hexa­methyl­enetetraminium 2,4,6‐tri­nitro­phenolate

In the title complex, the 1:1 ionic adduct of hexa­methyl­enetetraminium and 2,4,6‐tri­nitro­phenolate, C₆H₁₃N₄⁺·­C₆H₂N₃O₇^?, the cation acts as a donor for bifurcated hydrogen bonds to the O atoms of the phenolate and one of the nitro groups of the 2,4,6‐tri­nitro­phenolate anion. The crystal structure is built from sheets of cations and anions, and is stabilized by intermolecular C—H?O and C—H?π interactions.     

The ternary complex 4‐(2‐pyridyl)pyridinium–3,5‐di­nitro­benzoate–3,5‐di­nitro­benzoic acid (1/1/1)

In the title ternary complex, C₁₀H₉N₂⁺·C₇H₃N₂O₆^?·C₇H₄N₂O₆, the pyridinium cation adopts the role of the donor in an intermolecular N—H?O hydrogen‐bonding interaction with the carboxyl­ate group of the 3,5‐di­nitro­benzoate anion. The mol­ecules of the ternary complex form molecular ribbons perpendicular to the b direction, which are stabilized by one N—H?O, one O—H?O and five C—H?O intermolecular hydrogen bonds. The ribbons are further interconnected by three intermolecular C—H?O hydrogen bonds into a three‐dimensional network.     

Preparation, Crystal Structure and Properties of a Pentametallic 3-Ferrocenyl-2-crotonic acid-Bridged Copper（Ⅱ） Complex

The synthesis and characterization of the copper (II) complex [Cu₂(OOCCH = C(CH₃)Fc)₃(phen)₂]CIO₄ · 2H₂O (1) are reported. The structure of the complex was determined by single‐crystal X‐ray analysis. The compound crystallizes in the monoclinic system, space group Pc, with Z =2, a = 1.2799(4) nm, b =0.9969 (4) nm, c = 2.5228 nm, and β = 91.576 (1) °. The cationic part of 1 indicates a penametallic core in which three 3‐ferrocenyl‐2‐crotonic acid salt (FCA) groups act as (O, O') bridging ligands between two copper (II) ions with a square‐pyramidal environment. Cyclic voltammetric experiments in acetonitrile have been performed mainly to examine the Fe(II) → Fe(III) one‐electron oxidation in FCA and its complex. The variable‐temperature magnetic susceptibility measurements revealed very weak intramolecular anti‐ferromagnetic coupling. Fitting parameters are 2J = ‐0.2 cm^?1, g = 2.114, and θ = 0K.     

Preparation,Characterization, and Pharmacological Investigation of Withaferin-A Loaded Nanosponges for Cancer Therapy; In Vitro,In Vivo and Molecular Docking Studies

The rapidly growing global burden of cancer poses a major challenge to public health and demands a robust approach to access promising anticancer therapeutics. In parallel, nanotechnology approaches with various pharmacological properties offer efficacious clinical outcomes. The use of new artificial variants of nanosponges (NS) as a transporter of chemotherapeutic drugs to target cells has emerged as a very promising tool. Therefore, in this research, ethylcellulose (EC) NS were prepared using the ultrasonication assisted-emulsion solvent evaporation technique. Withaferin-A (WFA), an active ingredient in Withania somnifera, has been implanted into the nanospongic framework with enhanced anticancer properties. Inside the polymeric structure, WFA was efficiently entrapped (85 ± 11%). The drug (WFA) was found to be stable within polymeric nanosponges, as demonstrated by Fourier transform infrared (FTIR) spectroscopy and differential scanning calorimetry (DSC) studies. The WFA-NS had a diameter of 117 ± 4 nm and zeta potential of −39.02 ± 5.71 mV with a polydispersity index (PDI) of 0.419 ± 0.073. In addition, scanning electron microscopy (SEM) revealed the porous surface texture of WFA-NS. In vitro anticancer activity (SRB assay) results showed that WFA–NS exhibited almost twice the anticancer efficacy against MCF-7 cells (IC₅₀ = 1.57 ± 0.091 µM), as quantified by flow cytometry and comet tests. Moreover, fluorescence microscopy with DAPI staining and analysis of DNA fragmentation revealed apoptosis as a mechanism of cancer cell death. The anticancer activity of WFA-NS was further determined in vivo and results were compared to cisplatin. The anticancer activity of WFA-NS was further investigated in vivo, and the data were consistent to those obtained with cisplatin. At Day 10, WFA-NS (10 mg/kg) significantly reduced tumour volume to 72 ± 6%, which was comparable to cisplatin (10 mg/kg), which reduced tumour volume to 78 ± 8%. Finally, the outcomes of molecular modeling (in silico) also suggested that WFA established a stable connection with nanosponges, generating persistent hydrophobic contacts (polar and nonpolar) and helping with the attractive delayed-release features of the formulation. Collectively, all the findings support the use of WFA in nanosponges as a prototype for cancer treatment, and opened up new avenues for increasing the efficacy of natural product-derived medications.     

Ultra-Low-Power,High-Accuracy 434 MHz Indoor Positioning System for Smart Homes Leveraging Machine Learning Models

Global navigation satellite systems have been used for reliable location-based services in outdoor environments. However, satellite-based systems are not suitable for indoor positioning due to low signal power inside buildings and low accuracy of 5 m. Future smart homes demand low-cost, high-accuracy and low-power indoor positioning systems that can provide accuracy of less than 5 m and enable battery operation for mobility and long-term use. We propose and implement an intelligent, highly accurate and low-power indoor positioning system for smart homes leveraging Gaussian Process Regression (GPR) model using information-theoretic gain based on reduction in differential entropy. The system is based on Time Difference of Arrival (TDOA) and uses ultra-low-power radio transceivers working at 434 MHz. The system has been deployed and tested using indoor measurements for two-dimensional (2D) positioning. In addition, the proposed system provides dual functionality with the same wireless links used for receiving telemetry data, with configurable data rates of up to 600 Kbauds. The implemented system integrates the time difference pulses obtained from the differential circuitry to determine the radio frequency (RF) transmitter node positions. The implemented system provides a high positioning accuracy of 0.68 m and 1.08 m for outdoor and indoor localization, respectively, when using GPR machine learning models, and provides telemetry data reception of 250 Kbauds. The system enables low-power battery operation with consumption of <200 mW power with ultra-low-power CC1101 radio transceivers and additional circuits with a differential amplifier. The proposed system provides low-cost, low-power and high-accuracy indoor localization and is an essential element of public well-being in future smart homes.     

Modulation instability analysis,optical and other solutions to the modified nonlinear Schrödinger equation

This paper studies the new families of exact traveling wave solutions with the modified nonlinear Schrödinger equation, which models the propagation of rogue waves in ocean engineering. The extended Fan sub-equation method with five parameters is used to find exact traveling wave solutions. It has been observed that the equation exhibits a collection of traveling wave solutions for limiting values of parameters. This method is beneficial for solving nonlinear partial differential equations, because it is not only useful for finding the new exact traveling wave solutions, but also gives us the solutions obtained previously by the usage of other techniques (Riccati equation, or first-kind elliptic equation, or the generalized Riccati equation as mapping equation, or auxiliary ordinary differential equation method) in a combined approach. Moreover, by means of the concept of linear stability, we prove that the governing model is stable. 3D figures are plotted for showing the physical behavior of the obtained solutions for the different values of unknown parameters with constraint conditions.     

Adsorption Behavior and Dynamic Interactions of Anionic Acid Blue 25 on Agricultural Waste

In this study, adsorption characteristics of a negatively charged dye, Acid Blue 25 (AB25), on pomelo pith (PP) was studied by varying the adsorption parameters, with the aim of evaluating the adsorption mechanism and establishing the role of hydrogen bonding interactions of AB25 on agricultural wastes. The kinetics, intraparticle diffusion, mechanism, and thermodynamics of the AB25 adsorption were systematically evaluated and analyzed by pseudo-first-order and pseudo-second-order kinetic models, the Weber–Morris intraparticle and Boyd mass transfer models, the Langmuir, Freundlich, Dubinin–Radushkevich, and Temkin isotherm models, and the Van’t Hoff equation. It was found that AB25 adsorption followed pseudo-second-order kinetics, governed by a two-step pore-volume intraparticle diffusion of external mass transfer of AB25 onto the PP surface. The adsorption process occurred spontaneously. The adsorption mechanism could be explained by the Langmuir isotherm model, and the maximum adsorption capacity was estimated to be 26.9 mg g⁻¹, which is comparable to many reported adsorbents derived from agricultural wastes. Changes in the vibrational spectra of the adsorbent before and after dye adsorption suggested that AB25 molecules are bound to the PP surface via electrostatic and hydrogen bonding interactions. The results demonstrated that the use of pomelo pith, similar to other agricultural wastes, would provide a basis to design a simple energy-saving, sustainable, and cost-effective approach to remove negatively charged synthetic dyes from wastewater.     

Recent trends in ring opening of epoxides by amines as nucleophiles

β-Amino alcohols are versatile intermediates in the synthesis of various biologically potent compounds, which can also be achieved by ring opening of epoxides by amines. In the present review, focus has been placed on the ring opening of epoxides with amines under a variety of reaction parameters reported during 2011–2015. All the factors that resulted in excellent yields and high regioselectivity, are environmentally benign, and use mild conditions have been discussed in detail. In addition, the applications of these methods in the synthesis of biologically active compounds such as β-blockers have also been described.     

Kinetics of thermal dehydration of some bis-(4-aminosalicylato)-diaquo complexes of transition metal ions

The kinetics of thermal dehydration of bis-(4-aminosalicylato)-diaquo complexes of VO(II), Cu(II), Ni(II), Co(II), Fe(II) and Mn(II), were studied. The activation energies and other kinetic parameters have been evaluated. The observed kinetic parameters indicate a first-order reaction. The activation energy of the thermal dehydration decreases in the order: VO(II) > Cu(II) > Co(II) > Ni(II) > Fe(II) > Mn(II), which is also the order for the covalency in the MO bonds.