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Furthermore, the value predicted by the DAEM was in good agreement with the experimental one.A novel structured composite of polyaniline/pristine graphene (PG)-bacterial cellulose (BC) as electrodes fabricated in a facile approach and the foldable all-solid-state supercapacitors with high performance were reported in this work. The shear mixed PG-BC substrate was fixed with in situ polymerized polyaniline as a solder, improving its charge carrier transfer rate and cycling stability, while hydrophilic BC greatly improved the ion diffusion rate of the electrolyte. The as-prepared composites possessed a high areal capacitance of 3.65 F/cm2 at 5 mA/cm2, and the electrode was able to be bent into different shapes without fracture. The assembled all-solid-state supercapacitor was flexible and exhibited excellent areal capacitance of 1389 mF/cm2, energy density of 9.80 mWh/cm3, and 89.8% retention of its initial capacitance after 5000 cycles at a current density of 2 mA/cm2. The composite is expected to have applications in making flexible supercapacitors applied in wearable devices.Using first-principles calculations, the structural, electronic, and optical properties of CO2, CO, N2O, CH4, H2, N2, O2, NH3, acetone, and ethanol molecules adsorbed on a diazine monolayer were studied to develop the application potential of the diazine monolayer as a room-temperature gas sensor for detecting acetone, ethanol, and NH3. We found that these molecules are all physically adsorbed on the diazine monolayer with weak adsorption strength and charge transfer between the molecules and the monolayer, but the physisorption of only NH3, acetone, and ethanol remarkably modified the electronic properties of the diazine monolayer, especially for the obvious change in electric conductivity, showing that the diazine monolayer is highly sensitive to acetone, NH3, and ethanol. Further, the adsorption of NH3, acetone, and ethanol molecules remarkably modifies, in varying degrees, the optical properties of the diazine monolayer, such as work function, absorption coefficient, and the reflectivity, whereas adsorption of other molecules has infinitesimal influence. The different adsorption behaviors and influences of the electronic and optical properties of molecules on the monolayer show that the diazine monolayer has high selectivity to NH3, acetone, and ethanol. The recovery time of NH3, acetone, and ethanol molecules is, respectively, 1.2 μs, 7.7 μs, and 0.11 ms at 300 K. Thus, the diazine monolayer has a high application potential as a room-temperature acetone, ethanol, and NH3 sensor with high performance (high selectivity and sensitivity, and rapid recovery time).Quantum dots have unique size-dependent properties and promising applications. However, their use in many applications remains hindered by mechanical, thermal, and chemical instability and the lack of viable quantum dot mass-production processes. TD-139 manufacturer Embedding quantum dots in matrices such as silica counteracts the instability challenges in some applications while preserving their unique properties and applicability. Here, we synthesize quantum dots of four different metal oxides embedded in a silica matrix in a one-step mass-production process using flame spray pyrolysis.Alternative candidate precursors to [Hf(BH4)4] for low-temperature chemical vapor deposition of hafnium diboride (HfB2) films were identified using density functional theory simulations of molecules with the composition [Hf(BH4)2L2], where L = -OH, -OMe, -O-t-Bu, -NH2, -N=C=O, -N(Me)2, and -N(CH2)5NH2 (1-piperidin-2-amine referred to as Pip2A). Disassociation energies (E D), potential energy surface (PES) scans, ionization potentials, and electron affinities were all calculated to identify the strength of the Hf-L bond and the potential reactivity of the candidate precursor. Ultimately, the low E D (2.07 eV) of the BH4 ligand removal from the Hf atom in [Hf(BH4)4] was partially attributed to an intermediate state where [Hf(BH4)3(H)] and BH3 is formed. Of the candidate precursors investigated, three exhibited a similar mechanism, but only -Pip2A had a PES scan that indicated binding competitive with [Hf(BH4)4], making it a viable candidate for further study.Meloidogyne incognita is an important plant-parasitic nematode that causes significant crop losses all over the world. The primary control strategy for this pathogen is still based on nematicides, which are hazardous to human health and the environment. Considering these problems, this study aimed to determine the efficacy of different concentrations (25, 50, and 100 ppm) of silver nanoparticles against M. incognita on Trachyspermum ammi. Silver nanoparticles synthesized from Senna siamea were thoroughly characterized using various physicochemical techniques, viz., UV-visible spectrophotometer, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and energy-dispersive X-ray analyzer (EDX). Results revealed that plants treated with 50 ppm silver nanoparticles one week before M. incognita inoculation (T2) exhibited maximum and significant (p ≤ 0.05) increases in plant growth, biochemical characteristics, and activities of defense enzymes such as peroxidase, catalase, superoxide dismutase, and ascorbate peroxidase over the inoculated control (IC) plants. Furthermore, the maximum reduction in the number of galls, egg masses, and root-knot indices was recorded in plants treated with 100 ppm silver nanoparticles (T3) followed by plants treated with 50 ppm silver nanoparticles before nematode inoculation (T2), over inoculated plants (IC). Anatomical studies showed accumulation of lignin in the transverse section (TS) of roots treated with 50 ppm silver nanoparticles. As a result, the present finding strongly suggests that silver nanoparticles synthesized from S. siamea had nematicidal activity, and it could be an efficient, safe, cost-effective, and affordable alternative to chemical nematicide.A series of 3-amino-2-hydroxybenzofused 2-phosphalactones (4a-l) has been synthesized from the Kabachnik-Fields reaction via a facile route from a one-pot three-component reaction of diphenylphosphite with various 2-hydroxybenzaldehyes and heterocyclic amines in a new way of expansion. The in vitro anti-cell proliferation studies by MTT assay have revealed them as potential Panc-1, Miapaca-2, and BxPC-3 pancreatic cell growth inhibitors, and the same is supported by molecular docking, QSAR, and ADMET studies. The MTT assay of their SAHA derivatives against the same cell lines evidenced them as potential HDAC inhibitors and identified 4a, 4b, and 4k substituted with 1,3-thiazol, 1,3,4-thiadiazol, and 5-sulfanyl-1,3,4-thiadiazol moieties on phenyl and diethylamino phenyl rings as potential ones. Additionally, the flow cytometric analyses of 4a, 4b, and 4k against BxPC-3 cells revealed compound 4k as a lead compound that arrests the S phase cell cycle growth at low micromolar concentrations. The ADMET properties have ascertained their inherent pharmacokinetic potentiality, and the wholesome results prompted us to report it as the first study on anti-pancreatic cancer activity of cyclic α-aminophosphonates.