The great interest attached to Copper nanoparticles (CuNPs) are traceable its distinctive properties such as rigidity, high yield strength, surface-to-volume ratio, hardness, flexibility and ductility. CuNPs have shown several applications catalytic, antiviral, antibacterial, anti-inflammatory, antioxidant, antifungal activities. Recently, Cu-NPs has gain a lot of importance comparable with gold silver in fields, it also offer additional benefit been cheaper. biosynthesis recommended...

<title>Abstract</title> Measles is a leading cause of death in children countries with suboptimal vaccination coverage. The disease caused by negative-strand RNA virus called measles virus. It uses receptors to invade cells and later establish infection namely the signalling lymphocyte activation molecule f1 (SLAMF1) nection-4 which expressed lung epithelium. Till date, there no specific drug for treatment measles. Thus, this research work explored twenty (20) bioactive compounds (flavonoids...

Ginger root( Zingiber officinal Rose) was analysed to identify its nutritional and anti-nutritional contents.The results showed that has 34.13% crude protein, 4.07% Ether Extract, 4.02% fibre content, 13.75% moisture 7.64% Ash content 1.036% vitamin C. Furthermore, ginger contains major minerals like: Zn 64.0 mg/l , Mn 5.90 mg/l, Fe 279.7 Cu 8.80 Ca 280.0 P 8068.0 mg/l.The result obtained confirmed the usefulness of root as a potential functional food could be explored further in new product...

Bamboo supported manganese (BS-Mn) nanocomposite was prepared in a single pot system via bottom-up approach using chemical reduction method. Langmuir surface area, BET and Single pore area were 349.70 m2/g, 218.90 213.50 respectively. The size (24.34 Ȧ); volume (0.489 cm3); point of zero charge (5.8); bulk density (0.0035 gcm-3); specific (33.00 m2/g) by Saer’s method functional group BS Mn determined Fourier Transform Infrared Spectrophotometer (FTIR). Various operational parameters...

In this work, the potential of corrosion inhibition four chloroquine derivatives; N4-(7-Chloroquinolin-8-ol-4-yl)-N1,N1-diethylpentane-1,4 diamine (M2), N4-(7-Chloroquinolin-8-amino-4-yl)-N1,N1-diethylpentane-1,4 (M3) and N4-(5-bromo-7-Chloroquinolin-8-amino-4-yl)-N1,N1-diethylpentane-1,4-diamine (M4) were investigated. Their chemical descriptors which include molecular volume, softness, hardness, electronegativity, fraction (ΔN) electrophilicity index (ω) dipole moments, surface molecule,...

Great attention is being shifted to Dye-sensitized solar cells because of their structural and electronic tunability, high performance, low cost compared conservative photovoltaic devices. In this work, B3LYP/6-31G** level theory was used study the molecular architecture donor-π-acceptor (D-π-A) type. This contains a series dyes with 2-cyano-2-pyran-4-ylidene-acetic acid (PLTP-dye) 2-cyanoprop-2-enoic (CLTP-dye) units as acceptors; donor groups thiophene-based π-linkers. The properties,...

The continuous havoc wrecked by tuberculosis among humans worldwide remains colossal. In this work, twenty-one (21) 2-(quinoline-4-yloxy)acetamide analogues were observed against Mycobacterium catalase-peroxidase (This enzyme shields bacteria from poisonous drug-like molecules) (PDB ID: 1sj2) using density functional theory method, QSAR study material studio software and docking method via PyMol, AutoDock Tool, Vina Discovery 2017 as well ADMET admetSAR2. Twelve descriptors obtained the...

The corrosion inhibition potential of purine and its twelve derivatives was theoretically investigated. Their chemical descriptors: dipole moments, softness, electronegativity, hardness, molecular weight in conjunction with the electronic parameters such as, EHOMO (highest occupied orbital energy); ELUMO (lowest unoccupied energy) energy difference (ΔE) which determine effectiveness as inhibitors, were estimated using Density Functional Theory (DFT) method. A statistically ordinary least...

Abstract This study investigated the sustainable chitosan supported magnetite nanocomposites (C-Fe 3 O 4 ) for sequestration of Rhodamine B (RhB) Dye from environment. The synthesis C-Fe , its physicochemical characterization and synergistic influence initial concentration dye time contact with adsorbent during sorption on were studied. properties indicated better equilibration via bulk density 0.731 g/cm moisture content 7.2, point zero charge (PZC) suitability RhB. Functional group...

Abstract The Ebola virus disease causing hemorrhagic fever in human, has been known for nearly about 40 years, with the most recent outbreak being West Africa creating humanitarian crisis, where over 11,308 deaths were recorded as reported 30 th March, 2016 (World Health Organization). Till now, drugs have far from achieving regulatory FDA approval, and coupled toxicity of these drugs, it is become imperative to appraise available trail well looking into alternative natural resources...

Tuberculosis is an airborne communicable syndrome, which has been observed to be among the top ten (10) causes of death worldwide. This work studied eleven molecular compounds via quantum chemical calculations, docking method, and ADMET (absorption, distribution, metabolism, excretion, toxicity). The selected obtained descriptors (Log P, HBA, HBD, weight) showed that have ability act drug-like. Compound D inhibited far better than other ligands as well standard. properties compound proved...

The reaction was studied via pseudo-first-order kinetics using a UV-1800 Shimadzu spectrophotometer with thermostated cell compartment and interfaced computer. showed first order respect to malachite green sugar hydroxyl ion concentrations. However, the independent of ionic strength no dependence on salt effect, indicating an inner sphere mechanism for reaction. There polymerization mixture acrylonitrile, absence radicals in course Michaelis-Menten plot indicated presence intermediate...

Six 1-benzyl-2-phenyl-1H-benzimidazole derivatives, A1-A6, were modeled computationally, and equilibrium optimization was carried out at the B3LYP/6-31G** level of theory. The geometrical parameters, IR, UV-Vis, molecular reactive properties predicted on basis density functional theory (DFT) calculations. electron-donating/accepting power (𝜔−/𝜔+) calculated 4.71/1.18, 5.675/1.766, 4.785/1.210 eV for A1, A2, A3, respectively, indicating good electron donors; while A4 A5 to be 8.13/3.60...

<title>Abstract</title> Four hundred Phytochemical (bio-active) compounds having predictive activity for treating Sickle Cell Anemia were screened, using PASS online computational resource. Twenty-six out of the four which showed high probability sickle further screened pharmacokinetics profiles (ADMET properties) SwissAdmet, AdmetSAR 2 and Pro-tox II resources. Only thirteen that displayed good ADMET properties from twenty -six used DFT calculations molecular docking against carbonmonoxy...

Four hundred Phytochemical (bio-active) compounds having predictive activity for treating Sickle Cell Anemia were screened, using PASS online computational resource. Twenty-six out of the four which showed high probability sickle further screened pharmacokinetics profiles (ADMET properties) SwissAdmet, AdmetSAR 2 and Pro-tox II resources. Only thirteen that displayed good ADMET properties from twenty-six used DFT calculations molecular docking against carbonmonoxy hemoglobin (PDB ID: 5E6E)....

This research sought to find a potent drug for the treatment of acne from six (6) flavones. DFT-B3LYP method was used determine molecular descriptors like HOMO, LUMO, Dipole moment, and volume ligands standard drugs. SWISSADMET employed ascertain pharmacokinetic properties ligands, docking achieved by using PyRx discovery studiosoft wares. It observed that flavones showed better inhibition against main protease than drugs, binding affinity results, 5-hydroxy-2-phenylchromen-4-one best...

Substrate Inhibition: Oxidation of D-Sorbitol and D-Dulcitol by Mn(VII) in Alkaline Medium Dayo Felix Latona, Adegoke Emmanuel Akinola Abstract The oxidation D-sorbitol D-dulcitol potassium permanganate alkaline medium showed substrate inhibition for both substrates due to the formation 1:1 manganese-sugar alcohol complex which resists oxidation. Consequently, reaction was inverse first order with respect sugar substrates, each [KMnO4], [OH-] independent ionic strength investigated....

The oxidation of propane-1,3-diol by potassium permanganate in aqueous solution was investigated at λmax 525 nm. rate the reaction found to increase with [KMnO4] and [Propane-1,3-diol]. showed first order dependence each [Propane-1,3-diol] independent ionic strength solution. values 〖∆H〗^#(kJ mol-1), 〖∆S〗^# (kJK-1mol-1) and〖 ∆G〗^#(kJmol-1) were 24.98, -0.22 90.50 respectively. Negative entropy activation revealed an ordered transition state for reaction. Spectroscopic studies FTIR analysis...

SARS-CoV-2 (Covid 19) continues to be a great threat lives globally as it causes illnesses such the common cold, severe acute respiratory syndrome and spreads easily among people. In this work, thirteen molecular compounds were studied via quantum chemical calculations, docking, dynamic simulation, ADMET (absorption, distribution, metabolism, excretion, toxicity). The obtained descriptors (Log P, HBA, HBD, weight) showed that have ability act drug. Thus, was detected all selected possess...

Mosquito control has relied solely on the eradication of adult mosquitoes by spraying aerosol under closed doors and windows.Apart from toxicity aerosol, this method been found ineffective because are becoming resistant to these insecticides.Herein, adequate effective mosquito was investigated towards elimination at larva stage oil mixtures aqueous breeding sites.These acting as larvicides: 'malaroil' observed in study kill larvae aquatic habitat asphyxia within twenty minutes...

The kinetics of ethanolamine oxidation by acidified KMnO4 was investigated in the absence and presence sodium dodecyl sulfate (SDS) using a pseudo-first-order approach, with [ethanolamine]o >> [KMnO4]o. measurements were conducted at λmax = 525 nm an ultraviolet/visible-1800 Shimadzu spectrophotometer. stoichiometry showed that 2 moles consumed 5 aqueous medium. reaction orders both micellar media remained same first-order dependence on [KMnO4] [ethanolamine] fractional-order [H+]. [H+] form...