Synthesis of bagasse nanocellulose-filled composite polyurethane xerogel for the efficient adsorption of Rhodamine-B dye from aqueous solution: investigation of adsorption parameters

In this study, polyurethane (PU)-based xerogels were synthesized by using the biobased polyol derived from chaulmoogra seed oil. These polyol was used for the preparation of PU xerogels using methylene diphenyl diisocyanate hard segment and polyethylene glycol (PEG6000) as soft segment with 1,4-diazabicyclo[2, 2, 2]octane as catalyst. Tetrahydrofuran, acetonitrile and dimethyl sulfoxide were used as the solvents. Nanocellulose (5 wt %) prepared from bagasse were added as filler, and the obtained composite xerogels were evaluated for chemical stability. The prepared samples were also characterized by using SEM and FTIR. Waste sugarcane bagasse nanocellulose proved as a cheap reinforcer in the xerogel synthesis and for the adsorption of Rhodamine-B dye from the aqueous solution. The factors that affect the adsorption process have been studied including the quantity of the adsorbent (0.02–0.06 g), pH (6–12), temperature (30–50) and time (30–90). Central composite design for four variables and three levels with response surface methodology has been used to get second-order polynomial equation for the percentage dye removal. RSM was confirmed by the measurement of analysis of variance. Increase in the pH and quantity of the adsorbent was found to increase the sorption capacities of the xerogel (NC-PUXe) towards rhodamine B, maximum adsorption

Enhanced dielectric and electrical performance of phosphonic acid-modified tantalum (Ta)-doped potassium sodium niobate (KNaNbO

PA-KNNT-P(VDF-HFP) composite films were synthesized using facile solution casting technique. Due to their wide range of applications in dielectric and electrical systems, phosphonic acid (PA)-modified tantalum-doped potassium sodium niobate (KNNT)–polyvinylidene fluoride co-hexafluoropropylene P(VDF-HFP) composite films have piqued the interest of academic researchers. Microstructural analysis showed that PA layers incorporated onto the KNNT particles within the polymer matrix. The PA-KNNT-P(VDF-HFP) composite exhibited improved dielectric and electrical performance over a broad range of frequency, and the value of the dielectric constant of the P(VDF-HFP) composites is improved by ≈119 over the P(VDF-HFP) matrix at a filler loading 19 wt.%. Moreover, PA-KNNT-P(VDF-HFP) composite also reveals higher dielectric constant (≈ 119) and AC conductivity than P(VDF-HFP)-KNNT composites, while maintaining suppressed dielectric loss ($$\le 1.3$$ at 102 Hz). It is also observed that the PA-KNNT-P(VDF-HFP) composite exhibited an insulator–conductor transition with a percolation threshold of fKNNT = 13.4 wt.%. As a result of their exceptional dielectric and electrical characteristics, PA-KNNT-P(VDF-HFP) composites have the potential to find exciting practical applications in a variety of electronic domains

Understanding the Interaction Mechanism between the Epinephrine Neurotransmitter and Small Gold Nanoclusters (Au_<i>n</i>; <i>n</i> = 6, 8, and 10): A Computational Insight

In this study, the interaction between the neurotransmitter epinephrine and small gold nanoclusters (AunNCs) with n = 6, 8, and 10 is described by density functional theory calculations. The interaction of Au6, Au8, and Au10 nanoclusters with epinephrine is governed by Au-X (X = N and O) anchoring bonding and Au···H-X conventional hydrogen bonding. The interaction mechanism of epinephrine with gold nanoclusters is investigated in terms of electronic energy and geometrical properties. The adsorption energy values for the most favorable configurations of Au6NC@epinephrine, Au8NC@epinephrine, and Au10NC@epinephrine were calculated to be −17.45, −17.86, and −16.07 kcal/mol, respectively, in the gas phase. The results indicate a significant interaction of epinephrine with AunNCs and point to the application of the biomolecular complex AunNC@epinephrine in the fields of biosensing, drug delivery, bioimaging, and other applications. In addition, some important electronic properties, namely, the energy gap between HOMO and LUMO, the Fermi level, and the work function, were computed. The effect of aqueous media on adsorption energy and electronic parameters for the most favorable configurations was also studied to explore the influence of physical biological conditions