Electronic Structure of Two New Bis-Schiff Base Ligands using DFT Method

Two bis-Schiff Bases 1 and 2 are ligands that can coordinate with manganese metal to form stable complexes and have biological activity. Thermodynamic parameters, HOMO-LUMO energy levels and FTIR spectra of two ligands have been computed using B3LYP/6-311++G(d,p) functional of the DFT calculations. Both ligands are favored thermodynamically, and the ligand 1 has been shown to be more stable than ligand 2. The Polarizability values of two ligands have been investigated. The results refer that ligand 2 interacts earlier than ligand 1 to the metal ion. The FTIR spectra of two ligands have been evaluated. All results show the good agreement between the theoretical and experimental data.

Knowledge and Attitude towards Label Claim and Health Benefits of Dark Chocolates among Customers of Oman—Cross-Sectional Survey

Dark chocolate is one of the most studied foods in the recent period due to its potential effects and health benefits. Admittedly, people's attitudes and acceptance of dark chocolate are still unknown. The cross-sectional study was aimed to determine the usage and effect of dark chocolate on health. It also aimed to study the attitude of young adults in Oman towards the consumption of dark chocolate and to discover the most preferred brands of DC in the Omani market. The study was conducted from spring 2020 to Fall 2021 in Oman. Two types of surveys were conducted. Firstly, a product survey was done to compare some brands according to the price, ingredient, expiry date, and country of origin. Secondly, across sectional-based survey was done focusing on the health benefits of consuming dark chocolate. Three hundred and forty-five (345) respondents participated in completing this survey. The results proved that many people are now aware of the health benefits of dark chocolate. The majority of the participants expressed their knowledge of the health aspect of dark chocolate and their interest in choosing the best product by examining the ingredients - especially the cocoa percentage- of the product before purchasing.

Development of Poly Herbal Cream Formulations Containing Wild Growing Omani Medicinal Plants

Acne is derived from the Greek word “acme” which means “prime of life”. It is mostly considered to be benign and self-limiting condition but if it is ignored than it can progress to lifetime presence and scaring of the skin. Almost 85% of adolescence are affected by acne and from here males are at higher ration that female due to testosterone level that causes increase size in sebaceous gland which in turn causes more production of sebum (oil production). Women are affected more during adulthood due to imbalance of premenstrual hormones and over use of oil based cosmetics. There are many different factors that contribute to acne formation and it has many different forms. Herbal medication are considered safer than allopathic medicines because allopathic medicines are associated with various side effects such as like contact allergy, local irritation, scaling, photosensitivity, itching, redness, skin peeling, necrosis of the skin etc. In this study there are 3 herbal plants were used to prepare cream formulation that were used to investigate the anti-acne property. The aim of this research work was to develop formulations and to perform its evaluation as an herbal anti-acne cream. The objective of this study was to focus on the ant-acne or anti-bacterial effect of the formulated polyherbal cream containing three plants, Thyme, Aloe Vera and Basil. The results showed that the formulation 10 showed potential anti-acne property had that twice more concentration of aloe Vera than basil and thyme.

Solvo-thermal Assisted-Synthesis; Experimental and Theoretical Characterization; and Biological Evaluations of Azo-Chelator-Ligand Chelates of Fe(II) and Zn(II) ions

Background and Objectives: The resistance of microbes against anti-bacteriological drugs leading to countless deaths and terminal ailments remains a basis for concern. Hence, the main interest of this study was to design, synthesize and report unusual compounds with basic hydrophilic moieties plus hydrophobic functions for anti-bacteriological studies. Materials and Methods: Analytical (melting points, micro-analysis (C. H.N.S) magnetic susceptibility (µeff), molar conductance plus solubility test) methods; spectral (Fourier Transform Infrared(FTIR)), electrospray ionization mass spectrometry (ESI-MS), nuclear magnetic resonance (1H- plus 13C-NMR), electronic(UV-Vis)) measurements; theoretical (DFT) evaluations were utilized for the characterization of the chelator and its chelates. All synthesized compounds were examined for antimicrobial and antioxidant potentials while the chelator was singly evaluated for solvent extractive capacity. Results: A nitrogenous based chelator-ligand, (E)-1-(((4,6-dimethylpyrimidin-2-yl)imino)methyl) naphthalen-2-ol(LH) synthesized through reflux-condensation reaction of 2-amino-4,6-dimethylpyrimidine with 2-hydroxy-1-napthaldehyde was acquired. Further reflux of the chelator-ligand with bivalent ions of iron-sulphate and zinc-acetate salts plus 2,2’-bipyridine resulted into separate bivalent-heteroleptic metallic chelates. The deprotonated nitrogen of the amine moiety and carbon of the carbonyl gave rise to the chelator-ligand with N2O2 chromophore detected around the metallic atom in the chelates. The µeff data plus UV-Vis spectral values of the chelates conformed to 6-coordinate octahedral geometry. All the chelates were high spin and non-ionic in dimethylsulfoxide (DMSO). The antimicrobial and antioxidant screening of the compounds presented moderate to fantastic results, while the metallic extractive proficiency of the chelator showed outstanding extractability for Fe2+ and Zn2+ions with an efficiency of 79.34% and 51.92% correspondingly. Conclusion: All the synthesized compounds are novel and demonstrated prospective biological, plus metallic ions’ extractive potentials required for designs plus isolation of products also for such actions.

Pollution Status and Health Risk Assessment of Polycyclic Aromatic Hydrocarbons in Surface Water, Sediment and Fish from Ezu-River, Anaku, Anambra State, Nigeria

The distribution of the sixteen polycyclic aromatic hydrocarbons (PAHs) was studied in surface water, sediment and three fish species (African catfish (Clarias gariepinus), Trout fish (Mormyrus rume) and Hetrobranchus longefilis) from Ezu-river, Anaku, Anambra State, Nigeria. The samples were analysed for PAHs by means of Gas chromatography-mass spectrometry. The results of PAHs showed that, in surface water, the highest concentration was related to benzo(a)pyrene whereas benzo(k)fluoranthene was the most important pollutant in sediment. For the fish samples, Hetrobranchus longefilis recorded the highest concentration in Naphthalene while Anthracene was the most dominant pollutants in Mormyrus rume and in Clarias gariepinus benz(b) fluoranthene was the highest pollutants. The Health and exposure risk assessment was conducted for carcinogenic and non-carcinogenic exposure in adults and children which shows that the cumulative cancer risk and hazard index were within USEPA regulatory standard. Calculated Hazard Index for fish and water samples were less than one and thus be recommended for consumption.

Quartz Reinforced Unsaturated Polyester Resin Composites: Preparation and Characterization

Compression molding has produced quartz-reinforced polyester composites (QPCs) weighing 10 to 40 per cent quartz relative to the weight of unsaturated polyester resin. Synergistic changes were made in the composite properties and were superior to those of the individual components. The composite's physical and mechanical properties such as bulk density, water absorption , tensile strength, flexural strength, hardness have illustrated the competency of the composite being developed. It was found that for the resultant composite examined, the percentage of water absorption is very small. However, when quartz content were increased, water absorption grew very slowly. Enhancement of mechanical properties strongly corresponds to strong adhesion force of quartz with the matrix and it influenced by well-disperse quartz particles on the whole surface of composite. This paper also performed thermal characterization of the composites. Because of these remarkable properties, as prepared composite can find applications in packaging, fuel cell, solar cell, structural materials and households purposes.

Comparative Assessment of the Bioremediation Potential of Polychaetes (Lug worm-Arenicola marina sp and Syllidae Worm-Syllis prolifera sp) in Aquaculture Pond Sediment

Polychaetes play an important role in nutrient cycling and remediation of coastal ecosystems. Large quantities of organic matter that could lead to pollution of pond and coastal waters are generated by aquaculture waste. To assess the remediation prospects of Arenicola marina and Syllis prolifera species, laboratory sediment microcosm experiments were conducted where large size Arenicola marina and Syllis prolifera were introduced to sediment in microcosm A, large size Arenicola marina to sediment in microcosm B, large sized Syllis prolifera to sediment in microcosm C and no polychaetes to sediment in microcosm D. Microcosm A′, B′ and C′ as replicates for small size polychaetes were also set up, respectively. After 30 days, microcosm A, B and C had significant decrease in organic carbon levels with microcosm B being the highest (Total organic carbon (TOC); 27.87%; p< 0.05). Both large and small polychaetes promoted significant decrease in sulphur (S) content (mean=62.76±0.21; 62.81±0.21%) and iron(Fe) (mean=49.43±1.47; 36.28±5.90%) respectively. Increase in pH by 31.15±0.13% was found in the presence of large size polychaetes, most likely associated with the burrowing process involving oxidation of Fe to Fe2O3. Large size polychaetes had better survival (mean=92±0.82%) than their small size counterpart (mean=55±4.08%). The extent of biodegradation B>A>C>D observed revealed that large size Arenicola marina was a better bioremediator of organic matter (OM), Fe and S enriched aquaculture pond sediment, probably due to its biological characteristics, well suited for the aquaculture than other species of sea worms that produce free swimming larvae. Therefore, large size Arenicola marina significantly improved sediment quality as well as increased its pH without compromising their survival. As the search for a better bioremediator of organically enriched sediment continues, our result revealed large size Arenicola marina as a more promising candidate compared to other species documented elsewhere in the world. Hence, rearing of large size Arenicola marina sp is recommended as their feeding habits are well suited for aquaculture.

Chemical Composition and Biological Activities of Eugenia caryophyllata Thunb Essential Oil

Aims: In this study the antibacterial and antioxidant activities of the essential oil of Eugenia caryophyllata were investigated. Study design: The study contains determination of the chemical composition of the essential oil of E. caryophyllata and the in vitro evaluation of the antibacterial and antioxidant activity of this oil. Place and Duration of Study: The study was carried out at the laboratory of research on local animal products of Ibn-Khaldoun University, Tiaret, Algeria during the period from December 2020 to March 2021. Methodology: The essential oil composition was characterized by gas chromatography/mass spectrophotometrical analyses. The antibacterial activity of this oil was tested against four pathogenic bacteria: Pseudomonas aeruginosa ATCC 27853, Escherichia coli ATCC 25922, Staphylococcus aureus ATCC 33862, Bacillus cereus ATCC 11778 by using disc diffusion method and agar incorporation method to determine the Minimum Inhibitory Concentration (MIC) of the tested oil. The antioxidant activity was evaluated by using DPPH radical scavenging, hydrogen peroxide scavenging assays and ferric reducing antioxidant power (FRAP) assay. Results: Our results have shown a greater antibacterial effect of E. caryophyllata essential oil against all the bacterial tested strains with inhibition zone diameters varied from 17.5 to 20.5 mm and minimal inhibition concentration (MIC) ranged between 0.8 μl / ml and 4.4 μl / ml, B. cereus and S. aureus are the most sensitive species with a MIC value of 0.8 μl / ml, however P. aeruginosa is the most resistant species with a MIC value of 4.4 μl / ml. The result of the antioxidant effect showed that the essential oil of E. caryophyllata is a powerful antioxidant that expresses a higher antioxidant activity than the standard antioxidants: gallic acid, vitamin C and BHT. Conclusion: The obtained results suggest that the essential oil of E. caryophyllata has a strong antibacterial and antioxidant effect and it may be an alternative natural source medicine to prevent and treat many diseases caused by pathogenic bacteria and oxidative stress.

Cementation of Cd Ions on Zinc Using a Rotating Fixed Bed Impeller Basket Reactor

Cementation or metal displacement reaction is one of the most effective techniques for removing toxic metals from industrial waste solutions. Aims: The main purpose of this work is to study the rate of cementation of cadmium by using a rotating bed of Zn Raschig rings packed in a perforated impeller basket for the investigation of the removal of Cd 2+ from waste solution. Study Design: The reactor was tested for Cd2+ concentration removed, the diameter of Zinc Raschig rings, and the rotational speed of the basket. Methodology: The results indicate that there are two rates of cementation for Cd-Zn system, a high rate at the beginning, followed by a lower rate after the initial period. The results also show that percentage removal of Cd2+ ions from solution increases by increasing the speed of basket rotation, and as the diameter of Zn Raschig ring packed in the basket reactor, increases the removal of Cd2+ decreases. The cadmium deposits on zinc as powder. Results: The removal of Cd2+ is optimum for ring diameter of 0.5 cm, initial concentration of 100 ppm, and basket rotation speed of 500 rpm. The experimental data fit the following equation: Sh=0.041 Sc0.33Re0.40. This equation can be used for the design scale-up and operation of reactors used to remove Cd2+ from wastewater by cementation. Conclusion: Rates of cementation were expressed in terms of the rate of mass transfer, the mass transfer coefficient increases as the rotational speed of the basket increases.

Assessment of Total Petroleum Hydrocarbons and Polycyclic Aromatic Hydrocarbons in Wastewater from Selected Flow Stations in Agbada II, Rivers State

Aims: This study evaluates total petroleum hydrocarbon (TPH) and polycyclic hydrocarbons (PAHs) concentrations in wastewaters from three locations of the oil-producing flow station in Rivers State. Study Design: By experiment and the results obtained by analytical means. Place and Duration of Study: This work was conducted at the Department of Industrial Chemistry/Petrochemical Technology, School of Science and Laboratory Technology, University of Port Harcourt, Choba, Rivers State, Nigeria between February and August, 2021. Methodology: The evaluation was done using gas chromatography-Flame Ionization Detector (GC-FID), and Gas Chromatography-Mass Spectrometer Detector (GC-MSD). Results: Results obtained showed low levels of total petroleum hydrocarbons ranging from 0.051, 0.119, and 0.07 mg/l and 0.01, 0.06, and < 0.01 mg/l for polycyclic aromatic hydrocarbons for the three locations, respectively. The results also revealed that the concentrations of the total petroleum hydrocarbons of the samples from the three locations were highest at carbon atom 17 suggesting a biogenic contribution of organic matter. The chromatographs obtained gave evidence that the nature of the contamination was minimally crude oil, because crude oil normally distributes in broad range, as observed in the locations samples as against the narrower carbon range of C8 to C40 characteristics of refined products. The pristane/phytane ratios, which were 0.925, 0.891 and 0.372 for the three samples, depicted an oxygenated environment. The C17/pristane ratios (39.53, 38.93, and 31.48) for all three locations revealed that the wastewaters were slightly weathered. The low concentrations as well as absence of high molecular weight polycyclic aromatic hydrocarbons and higher concentrations of low molecular weight polycyclic aromatic hydrocarbons support the petrogenity of the wastewaters. The phenanthrene/anthracene ratios (1.26, 0, and 0) for the three samples confirm the nature of the wastewaters. In addition, the absence of benzo(a)anthracene to chrysene ratio for all three samples point to proper treatment of the wastewaters. Conclusion: From this study, the level of total petroleum hydrocarbons (TPH) and polycyclic hydrocarbons (PAHs) obtained from all the samples were lower than the maximum recommended levels by the Department of Petroleum Resources (DPR). This study recommends constant monitoring in the total petroleum hydrocarbons and polycyclic hydrocarbons concentrations because even at its low concentrations can be injurious to health of the people residing within the facility and beyond.