JournalTOCs

Advanced Journal of Chemistry, Section B
Number of Followers: 1

This is an Open Access Journal

Open Access journal
ISSN (Online) 2716-9634
Published by Sami Publishing Company

[3 journals]

Evaluation of the Stability of Compound 2-Fluoro-1, 3, 2-Dioxaphosphinane
in Axial and Equatorial Conformations by NBO Analysis
- Abstract: Cyclohexane and hetero cyclohexane are good models for studying stereo electronics. The derivatives of 1, 3-dioxane are the good examples of ground and transition states of hyper-conjugated reactions. The structural and thermodynamic parameters for 1, 3-dioxane derivatives are investigated by MP2 and B3LYP methods for axial and equatorial conformations. By NBO analysis, the stabilization energy electron delocalization associated with LP2O→σ*P-F is reported in the axial conformation 13.16 and equatorial conformations 1.93, 3.45 kcal/mol for the MP2 and B3LYP methods, respectively. The stabilization of energy electrons delocalization in the axial conformation is higher than that of the equatorial one, indicating that the electrons delocalization transfer occurs more in the axial conformation. The studies on vibrational frequency and bond lengths P-O and P-F have also confirmed this issue. By calculating HOMO and LUMO energy, the hardness and softness, electronegativity, electron affinity energy, ionization energy, and electrophilicity index are examined.
Isolation and Characterization of Neoduline from the Rhizome of Dolichos
pachyrhizus Harm
- Abstract: Dolichos is a genus of twining plants found in both the Northern and Southern hemispheres, with the most frequently grown and used species being Dolichos biflorus and Dolichos lablab. Antimicrobial, antioxidant, anticancer, anti-schistosomal, and anti-inflammatory properties have been reported in various parts of the Dolichos species, including the leaves, roots, bark, and stem. The rhizome of Dolichos pachyrhizus was cut, air-dried at ambient temperature, and macerated with n-hexane, dichloromethane, ethyl acetate, and methanol for 72 hours each using a conventional maceration procedure, with regular shaking at intervals. The mixture was decanted, filtered, and concentrated at 40 °C using a rotavapor to yield crude n-hexane, dichloromethane, ethyl acetate, and methanol extracts (R110). To obtain the pure isolate, a methanol crude extract of the rhizome of Dolichos pachyrhizus (D. pachyrhizus) was chromatographed on a silica gel column using various eluents. The preliminary phytochemical investigation of the methanolic rhizome extract of Dolichos pachyrhizus revealed the presence of seven (7) different phytochemicals, including; - alkaloids, flavonoids, glycosides, phenols, tannins, saponins and steroids. The structure of the pure isolate was successfully identified, characterized and confirmed using spectroscopic techniques such as; - Fourier transform spectroscopy (FT-IR), Gas chromatography-mass spectrometry (GC-MS) and Nuclear magnetic resonance (NMR) be Neoduline.
Investigation of physicochemical and fatty acid composition of oils from
ripe and unripe Blighia fruit
- Abstract: Blighia sapida, commonly known as ackee, is an inherent tree crop of West Africa which is prevalent in tropical and subtropical environments. Various parts of the ackee tree are employed in traditional medicine for treatment of several ailments. However, limited information exists on the health benefits and composition of the fruit oils, thus the need for scientific knowledge of the composition, nutritional, antioxidant, physicochemical parameters, and the other properties of the fruit oils for its efficient utilization/ developmental purposes. Physicochemical properties and fatty acid composition of oils from the arils and seeds of ripe and unripe Blighia sapida (ackee) were quantified using standard analytical techniques. The specific gravity of the seed oils ranged between 0.85 - 0.88; saponification value of the oil of the ripe arils (146.74 ± 0.71) was much higher than those of the other oils under investigation, while the oil of the unripe seed had the lowest saponification value (76.10 ± 2.32). The ripe aril oil had the lowest acid value of 11.20 ± 4.65 mg/g, and ripe seed oil recorded the highest acid value of 42.09 ± 0.01 mg/g. The other parameters investigated include the ester value, iodine value, peroxide value, and the % Free Fatty Acid. The fatty acid composition of the oil of the ripe aril are arachidic acid (4.9%), gondoic acid (7.76%), oleic acid (31.76%), palmitic acid (49.20%), palmitoleic acid (1.28%), and stearic acid (5.00%); while arachidic acid (8,58%), behenic acid (36.28%), oleic acid (8.75%), palmitic acid (36.05%), and stearic acid (10.34%) are the fatty acids present in the unripe aril oil. This study concludes that ackee oils may find usage as industrial oil. The results confirmed ackee fruit to be a moderately oily fruit that can be exploited, with proper refining, to produce edible oil, soap, cosmetics, and the other industrial products. 
Investigation of Standard Natural Gas Synthesis Technologies
- Abstract: Natural gas is often associated with oil and pushes oil out of the soil into extraction wells. As the oil-gas mixture rises in the wells, gas is released and carries the mixture to the top of the well. In oils which are not saturated with gas and are only under water pressure, the amount of dissolved gas is less and in supersaturated oils, the amount of gas is higher. There are also streams which contain only natural gas and no oil. The term synthetic gas refers to the gas mixtures which contain Co and H2 in different proportions. H2 and Co are two important substances in the chemical industry and have many uses. Co is used in the production of paints, plastics, foams, insecticides, herbicides, acids, etc., including the use of hydrogen, ammonia production, hydrogenation, and hydrocracking. Synthesis gas is a very valuable raw material for the production of various chemical substances. Using this gas and various processes, it is possible to produce many different chemical substances which depending on the production method, different ratios of hydrogen to Co are obtained. Likewise in industrial use, different ratios are required depending on the process in which the gas is used. Synthetic gas feeds can be hydrocarbons, coal, oil, natural gas, and then vegetable and animal products.
A brief overview of the preparation and application of additives in
lubricating oils in industry
- Abstract: Mineral lubricants derived from crude oil are relatively inexpensive products used in very expensive engines and industrial machinery and have a direct impact on the efficiency and life of these devices, so it must be ensured to ensure the correct operation of machinery. The quality of oils used is quite good, but unfortunately it has been seen that this important issue is not paid enough attention even by technical experts and in our country much less than it should be valued the quality of oil and how to control it. Petroleum products are the most complex in terms of the relationship between physical and chemical properties and practical efficiency. We know that the type and ratio of different compounds that exist in crude oil in different parts of the world, a country or a region, is very variable. Even in an oil well, especially at different depths, there are different types and percentages of chemicals in crude oil. Petroleum lubricating oils therefore contain a wide variety of hydrocarbons and their derivatives, especially as the components of lubricating oils are generally composed of very large molecules (C15 to C30).
Chemical Evaluation of the Effects of Analgesics on the Body's Chemical
Cells
- Abstract: Pain is a sensory state and indicates a disorder in the body. It can be affected in two ways. First, the sensitivity of the relevant receptors can be reduced to such an extent that their excitability is reduced or eliminated by pain waves, which results in a reduction or disappearance of the sensation of pain. It is also possible to induce analgesia by attenuating or eliminating pain waves which enter the thalamus and affect sensitive cortices in the brain. With the synthesis and discovery of new analgesics, the classification of analgesics into non-narcotic compounds and other narcotic compounds is no longer common, and today they are divided into two main groups in terms of potency: weak analgesics and strong analgesics. The first group consists of compounds which are suitable for the treatment of simple and moderate pain and most of them have antipyretic, anti-inflammatory (anti-inflammatory), and anti-rheumatic effects. Very severe pain such as pain from surgery, cancer pain, renal colic, and biliary cannot be relieved with the first group of compounds, and for this, strong analgesics are used which are mostly drugs. 
Phytochemical Screening and the Effect of Methanolic Leaves Extract of
Senna mimosoides on Inflammatory Stimulus-Induced Leukocyte Mobilization
(In-vivo)
- Abstract: In traditional medicine, the leaves of Senna mimosoides, has been used to cure oedema and breastfeeding poisoning in newborns. The animal model experiment included a total of twenty-five (25) Wistar albino rats of both sexes, with A (control) receiving 0.2 ml of normal saline. B, C and D received 100, 250 and 500 mg/kg of the methanolic extract respectively, and E receiving 25 mk/kg of the indomethacin standard drug. Preliminary phytochemical screening of the Senna mimisoides methanolic leaves extract indicated the presence of ten (10) different secondary metabolites, including; carbohydrates, glycosides, tannins, reducing sugars, phenols, steroids, terpenoids, saponins, alkaloids and flavonoids. When compared to the control, the total leukocyte count of the groups treated with various dosages of extracts increased in a dose-dependent manner, whereas the group treated with indomethacin fell dramatically. The extract dramatically increased leukocyte mobilization, according to the findings. The results of this investigation showed that the methanolic leaves extract of Senna mimosoides contains medically relevant bioactive components, indicating that it can be used in traditional medicine to treat ailments. The anti-inflammatory property of the extract is not at the level of leuckocyte mobilization. According to this study, however, the extract’s ability to stimulate leukocytes implies that it may have a function in immunological response. 
Green synthesis of Copper Nanoparticles and Investigation of its
Antimicrobial Properties
- Abstract: Nanoparticles containing copper metal ions and their derivatives are being used for different medical purposes to prevent infections, ulcers etc. The aim of this study was to qualitatively determine the phytochemicals present in the ethanolic extract of Kigelia africana fruit (which are responsible for the reduction of the copper ions as well as stabilization of the nanoparticles), the synthesis of copper nanoparticles (CuNPs) through a green synthesis route from the ethanolic extract of Kigelia africana fruit and the anti-microbial assessment of the synthesized CuNPs. The synthesized nanoparticles were characterized by UV-Vis Spectrophotometer. Phytochemical screening revealed the presence of alkaloids, glycosides, flavonoids, phenols, steroids, tannins, carbohydrate and terpenoids. The synthesized CuNPs were confirmed by the change in colour from dark yellow to dark green. The CuNPs displayed promising antibacterial activity on Pseudomonas aeruginosa, Shigella sp., Staphylococcus aureus, Salmonella typhi, E. coli. The highest inhibition activity was exhibited by Pseudomonas aeruginosa (17.0 ± 4.24 mm). The CuNPs showed considerable antifungal activity against Aspergillus flavus and Aspergillus niger with inhibition activity of 8.0 ± 2.83 mm and 3.0 ± 4.24 mm respectively. Conclusively, the synthesized CuNPs from Kigelia africana should be incorporated as a therapeutic drug for microbial infectious disease and other health associated disorders.
Strychnos innocua (Delile): Phytochemical and Antimicrobial Evaluations of
its root bark extracts
- Abstract: The antifungal and antibacterial effects of medicinal plants have long been known. The root bark decoction of Strychnos innocua (a Loganiaceae plant) has been used to treat skin infections, candidiasis, and other disorders. Hence, the aim of this study is to determine the phytochemical, antibacterial, and antifungal properties of root bark extracts of S. innocua. This is the first time a study of this nature is been conducted using the root bark of the plant. Maceration with n-hexane, ethyl acetate, and methanol as solvents was used in the extraction process, while the phytochemical analysis of the extracts followed a standard procedure. This confirmed the presence of flavonoids, coumarines, triterpenes, steroids, saponins, tannins, phenols, anthraquinones, quinones, carbohydrates, phlobatannins, glycosides, cardiac and alkaloids. The extracts exhibited antimicrobial activities against MRSA, B. subtilis, P. aeruginosa, S. aureus, C. krusei, A. fumigatus, C. albicans while no activity against E. coli, S. pyogenes, S. typhii, A. niger and K. Pneumoniae were observed. MIC and MBC/MFC were also determined. In conclusion, the root bark of S. innocua is thought to be rich in phytochemicals and has antifungal and antibacterial effects against some of the tested pathogens.
Synthesis, crystal structure, Hirshfeld surface, crystal voids, energy
frameworks, DFT and molecular docking analysis of
(2,6-dimethoxyphenyl)acetic acid
- Abstract: (2,6-dimethoxyphenyl)acetic acid exists in the triclinic crystal system having space group P-1 and lattice  dimensions = 7.66(4) Å, b = 8.16(4) Å, c = 8.65(3) Å, V = 503(4) Å3 and Z = 2. The molecular and crystal structure was elucidated using X-ray crystallographic techniques. The refinement of all the structural parameters was done using the full-matrix least-squares method and it yielded the final R-factor as 0.0579 for 1711 observed reflections. In the crystal packing, molecules are consolidated by intermolecular O-H....O and intramolecular C-H....O interactions. The O-H….O interaction makes a dimer corresponding to R22 (8) graph-set motif. Hirshfeld surface (HS) analysis has been complemented to envisage the conformity of the molecular structure. The void-volume analysis has been made to obtain the mechanical strength of the crystal structure. The energy frameworks have been constructed to know the stability of the structure and the kind of dominant energy present in it. The optimized structure using density functional theory (DFT), HOMO–LUMO energy and the charge on the atoms has been examined using B3LYP method. The inhibitory activity of (2,6-dimethoxyphenyl)acetic acid against microbial targets has been assessed using the docking process.