Emerging Mesoporous Polyacrylamide/Gelatin-Iron Lanthanum Oxide Nanohybrids towards the Antibiotic Drugs Removal from the Wastewater.

The polyacrylamide/gelatin-iron lanthanum oxide (P-G-ILO nanohybrid) was fabricated by the free radical grafting co-polymerization technique in the presence of N,N-methylenebisacrylamide (MBA) as cross linker and ammonium persulfate (APS) as initiator. The P-G-ILO nanohybrid was characterized by the various spectroscopic and microscopic techniques that provided the information regarding the crystalline behavior, surface area, and pore size. The response surface methodology was utilized for the statistical observation of diclofenac (DF) adsorption from the wastewater. The adsorption capacity (qe, mg/g) of P-G-ILO nanohybrid was higher (254, 256, and 258 mg/g) than the ILO nanoparticle (239, 234, and 233 mg/g). The Freundlich isotherm model was the best fitted, as it gives the higher values of correlation coefficient (R2 = 0.982, 0.991 and 0.981) and lower value of standard error of estimate (SEE = 6.30, 4.42 and 6.52), which suggested the multilayered adsorption of DF over the designed P-G-ILO nanohybrid and followed the pseudo second order kinetic model (PSO kinetic model) adsorption. The thermodynamic study reveals that adsorption was spontaneous and endothermic in nature and randomness onto the P-G-ILO nanohybrids surface increases after the DF adsorption. The mechanism of adsorption of DF demonstrated that the adsorption was mainly due to the electrostatic interaction, hydrogen bonding, and dipole interaction. P-G-ILO nanohybrid was reusable for up to five adsorption/desorption cycles.

Nanograss-Assembled NiCo2S4 as an Efficient Platinum-Free Counter Electrode for Dye-Sensitized Solar Cell.

Dye-sensitized solar cells (DSSCs) are often viewed as the potential future of photovoltaic systems and have garnered significant attention in solar energy research. In this groundbreaking research, we introduced a novel solvothermal method to fabricate a unique "grass-like" pattern on fluorine-doped tin oxide glass (FTO), specifically designed for use as a counter electrode in dye-sensitized solar cell (DSSC) assemblies. Through rigorous structural and morphological evaluations, we ascertained the successful deposition of nickel cobalt sulfide (NCS) on the FTO surface, exhibiting the desired grass-like morphology. Electrocatalytic performance assessment of the developed NCS-1 showed results that intriguingly rivaled those of the acclaimed platinum catalyst, especially during the conversion of I3 to I- as observed through cyclic voltammetry. Remarkably, when integrated into a solar cell assembly, both NCS-1 and NCS-2 electrodes exhibited encouraging power conversion efficiencies of 6.60% and 6.29%, respectively. These results become particularly noteworthy when compared to the 7.19% efficiency of a conventional Pt-based electrode under similar testing conditions. Central to the performance of the NCS-1 and NCS-2 electrodes is their unique thin and sharp grass-like morphology. This structure, vividly showcased through scanning electron microscopy, provides a vast surface area and an abundance of catalytic sites, pivotal for the catalytic reactions involving the electrolytes in DSSCs. In summation, given their innovative synthesis approach, affordability, and remarkable electrocatalytic attributes, the newly developed NCS counter electrodes stand out as potent contenders in future dye-sensitized solar cell applications.

Hydrothermal extraction and physicochemical characterization of biogenic hydroxyapatite nanoparticles from buffalo waste bones for in vivo xenograft in experimental rats.

Hydroxyapatite (HA) can be used in odontology and orthopedic grafts to restore damaged bone due to its stable chemical characteristics, composition, and crystal structural affinity for human bone. A three-step hydrothermal method was used for the extraction of biogenic calcined HA from the buffalo waste bones at 700 °C (HA-700) and 1000 °C (HA-1000). Extracts were analyzed by thermogravimetric analysis, differential scanning calorimetry, X-ray fluorescence, X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, and in vivo examination of HA xenografts for femoral lesions in experimental rats. Crystallinity, purity, and morphology patterns showed that the HA main phase purity was 84.68% for HA-700 and 88.99% for HA-1000. Spherical HA nanoparticles were present for calcined HA-700 samples in the range 57-423 nm. Rats with critical bone lesions of 3 mm in diameter in the left femur treated with calcined HA-700 nanoparticles healed significantly (p < 0.001) faster than rats treated with HA-1000 or negative controls. These findings showed that spherical biogenic HA-700 NPs with a bud-like structure have the potential to stimulate both osteoconduction and bone remodeling, leading to greater bone formation potential in vivo. Thus, the calcined biogenic HA generated from buffalo waste bones may be a practical tool for biomedical applications.

In Silico Prediction of Protein Adsorption Energy on Titanium Dioxide and Gold Nanoparticles.

The free energy of adsorption of proteins onto nanoparticles offers an insight into the biological activity of these particles in the body, but calculating these energies is challenging at the atomistic resolution. In addition, structural information of the proteins may not be readily available. In this work, we demonstrate how information about adsorption affinity of proteins onto nanoparticles can be obtained from first principles with minimum experimental input. We use a multiscale model of protein-nanoparticle interaction to evaluate adsorption energies for a set of 59 human blood serum proteins on gold and titanium dioxide (anatase) nanoparticles of various sizes. For each protein, we compare the results for 3D structures derived from experiments to those predicted computationally from amino acid sequences using the I-TASSER methodology and software. Based on these calculations and 2D and 3D protein descriptors, we develop statistical models for predicting the binding energy of proteins, enabling the rapid characterization of the affinity of nanoparticles to a wide range of proteins.

Interaction between functionalized gold nanoparticles in physiological saline.

The interactions between functionalized noble-metal particles in an aqueous solution are central to applications relying on controlled equilibrium association. Herein, we obtain the potentials of mean force (PMF) for pair-interactions between functionalized gold nanoparticles (AuNPs) in physiological saline. These results are based upon >1000 ns experiments in silico of all-atom model systems under equilibrium and non-equilibrium conditions. Four types of functionalization are built by coating each globular Au144 cluster with 60 thiolate groups: GS-AuNP (glutathionate), PhS-AuNP (thiophenol), CyS-AuNP (cysteinyl), and p-APhS-AuNP (para-amino-thiophenol), which are, respectively, negatively charged, hydrophobic (neutral-nonpolar), hydrophilic (neutral-polar), and positively charged at neutral pH. The results confirm the behavior expected of neutral (hydrophilic or hydrophobic) particles in a dilute aqueous environment, however the PMF curves demonstrate that the charged AuNPs interact with one another in a unique way-mediated by H2O molecules and an electrolyte (Na(+), Cl(-))-in a physiological environment. In the case of two GS-AuNPs, the excess, neutralizing Na(+) ions form a mobile (or 'dynamic') cloud of enhanced concentration between the like-charged GS-AuNPs, inducing a moderate attraction (∼25 kT) between them. Furthermore, to a lesser degree, for a pair of p-APhS-AuNPs, the excess, neutralizing Cl(-) ions (less mobile than Na(+)) also form a cloud of higher concentration between the two like-charged p-APhS-AuNPs, inducing weaker yet significant attractions (∼12 kT). On combining one GS- with one p-APhS-AuNP, the direct, attractive Coulombic force is completely screened out while the solvation effects give rise to moderate repulsion between the two unlike-charged AuNPs.