In this investigation, deep eutectic solvent based on propionic acid and choline chloride was used to prepare polyaniline, polypyrrole, and poly(aniline-co-pyrrole) samples using chemical oxidation and polymerization. Quantum mechanical calculations were conducted using time-dependent density functional theory to determine the electronic, spectroscopic properties and structure of homopolymers and the copolymer which were compared with the respective experimental data. Furthermore, the synthesized materials were characterized using Fourier transform IR spectroscopy, scanning electron microscopy (SEM), UV-visible spectroscopy, and thermogravimetric analysis. IR and UV-visible spectra confirmed copolymerization, and SEM revealed that the copolymer had a mixed morphology uniting features of both polyaniline and polypyrrole. Furthermore, the copolymer composite was more thermally stable than both homopolymeric materials. The quantum-chemical investigation revealed significant variations in the electron affinities and ionization energies of three polymers. The copolymer has the highest HOMO electronic density, indicating its superior electron-donating capability, while also having the highest LUMO density, suggesting a strong electron-accepting potential. Further, it also exhibits the smallest energy gap (2.384 eV), implying its high chemical reactivity, low stability, and high degree of polarization. The findings suggest that a larger energy gap correlates with greater molecular hardness and lower electronic softness, with polyaniline exemplifying these properties.
The purpose of this research was to prepare, characterize, and evaluate the new antimicrobial peptide KSL peptide encapsulated in poly(D,L-lactide-co-glycolide) (PLGA)composite microspheres. KSL was loaded in poly(acryloyl hydroxyethyl) starch (acHES) micropar-ticles, and then the peptide-containing microparticles were encapsulated in the PLGA matrix by a solvent extraction /evaporation method.
KSL-loaded PLGA microspheres were also prepared without the starch hydrogel microparticle microspheres for comparison study. KSL peptide microspheres were characterized for drug content, surface morphology, microspheres size determination, polymers stability , in vitro microspheres degradation and in vitro release. KSL peptide
... Show MoreThe tetradentate N2O2 Schiff base ligand, which is produced via the condensation reaction of 2-hydroxynaphthaldehyde with phthalohydrazide, is prepared in this work with a fair yield. The prepared ligand was characterized using a microanalysis technique (C.H.N), UV-vis, FTIR, 1H-,13C-NMR, mass spectrometry, and thermal gravimetric analysis (TGA). New complexes were synthesized by a reaction between ligand (N'1E,N'2Z)-N'1,N'2-bis((1-hydroxynaphthalen-2yl)methylene)phthalohydrazide and metal chloride of Co+2, Ni+2, and Zn+2 ions in absolute ethanol. The present complexes are also characterized by techniques such as C.H.N, UV-vis, FTIR, TGA, molar conductivity, atomic absorption, and magnetic moment measurements. The in vitro antimicro
... Show MorePurpose This study was design to investigate of Purpose This study was design to investigate of P. aeruginosa, an example of Gram-negative bacteria, in seven primary and secondary schools of Baghdad city, and the effects of Ethanol and Dettol of P. aeruginosa biofilm. Design/methodology/approach Seventy swabs were collected from seven primary and secondary schools of Baghdad city, Iraq, during November -December 2022. Swabs were collected from classes desk, doors handles, students hands and water taps. Standard microbiological testing methods were used on the samples for isolation and identification. The ability of bacteria to form biofilm and the effects of Ethanol and Dettol on “preformed” biofilms was examined by microtiter plate wi
... Show MoreIonic liquids (ILs) and deep eutectic solvents (DESs) have been found to be highly effective as electrolytes in TiO2 NTAs-graphite cells when combined with additives that enhance conductivity by reducing the viscosity of these liquids. The presence of CaCl2.6H2O: Acetamide DES with DI water as an additive resulted in a cell voltage of 1.31V and an internal resistance of 19 ohm. This can be attributed to the concentration and quality of the ionic species. The cells exhibited an interesting response to the AlCl3-chloroacetamide IL with dichloromethane DCM as an additive, with a cell voltage of 1.81V and an internal resistance of 5.0 ohm. Once again, this is influenced by the quality and concentration of the ionic species. Furthermore,
... Show MoreThe spectroscopic properties, potential energy curve, dipole moments, total charge density, Electrostatic potential as well as the thermodynamic properties of selenium diatomic halides have been studied using code Mopac.7.21 and hyperchem, semi-empirical molecular orbital of MNDO-method (modified neglected of differential overlap) of parameterization PM3 involving quantum mechanical semi-empirical Hamiltonian. The relevant molecular parameters like interatomic distance, bond angle, dihedral angle and net charge were also calculated.
Actinomycetes are free, spore-forming, high (G+C) ratio (>55%) saprophytic microorganisms that are widely distributed in most soils, colonize plants, and are prevalent in water. This is frequently accompanied by the production of filament airborne mycelium. Actinomycetes are well-known microcolonies for creating antibiotics and other critical bioactive components that are beneficial to humans. Approximately 70% to 80% of commercially available medications and antiviral active compounds have been synthesized so far. Secondary metabolites produced by microbes have the potential to be used in a variety of sectors, including antimicrobial agents, enzyme technology, pigment manufacture, antitumor agents against cancer cells, and toxin pr
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In this work, pure Polypyrrole (PPy) and Polypyrrole (PPy)/Graphene (GN) was synthesized by in-situ polymerization in different weight percentages (0.1, 0.3, 0.5, 1, 3 and 5 wt.% (g)) of GN nano particles using chemical oxidation method at room temperature. The FTIR, SEM and electrical properties were studies for the nano composites. The result show that when concentration of GN Nano particle increase, the electrical conductivity increased and the graphene sheets were merging to form a continuous area of the GN through the polypyrrole base material. The FTIR spectra shows that the characteristics absorption peaks of polypyrrole that is, 1546.80, 1463.87 and 3400.27 cm-1(stretching vibration in the pyrrol
... Show MoreA total of 150 deep eutectic solvents (DESs) with varying salt, hydrogen bond donor, and molar ratios were studied to develop a screening tool for separating toluene-heptane mixtures. The activity coefficient at infinite dilution (γ∞) of each DES was predicted using COSMO-RS, and selectivity (S∞), capacity (C∞), and performance index (PI) were calculated. Key DES properties, including density, viscosity, melting/freezing point, surface tension, and conductivity, were compiled from the literature to create a DES property library. A comprehensive screening tool with four evaluation criteria was developed, which identified ethyl triphenylphosphonium bromide:ZnCl2 (1:4) as the optimal solvent for toluene-heptane separation. Tetrabutyl- b
... Show MoreThis research explores the integration of multi-walled carbon nanotubes (MWCNTs) into polyvinyl alcohol (PVA) matrices to enhance their structural, electrical and thermal properties. Fourier-transform infrared spectroscopy analysis confirms the formation of a PVA-MWCNT complex. The incorporation of MWCNTs, even at low concentrations, leads to increased electrical conductivity, making the composite material suitable for applications in flexible electronics and sensors. Dielectric studies reveal frequency-dependent electrical behavior, attributed to interfacial polarization, suggesting potential uses in capacitors and energy storage devices. The introduction of MWCNTs into PVA leads to N-type semiconductor behavior, as indicated by the Hall c
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