Communication in Physical Sciences

Computational Study of the Reaction Mechanism for the Formation of 4,5-Diaminophthalonitrile from 4,5-Dibromo-1,2-Diaminobenzene and Copper Cyanide

Kayode Sanusi — Fri, 02 Aug 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(4):654-668

Author: Kayode Sanusi

Received: 17 June 2024/Accepted: 30 July 2024

This study investigates the mechanism of the reaction between 4,5-dibromo-1,2-diaminobenzene and copper cyanide using Density Functional Theory (DFT) calculations. The kinetics and the thermodynamic properties of the reaction were analyzed, revealing two major steps with activated complexes AC1 and AC2. Scheme 3 accurately depicts the reaction pathway. A triangular Cu-C=N moiety was found in the calculated transition states (TS), AC1 and AC2. The thermodynamic parameters for the first step show ΔG = -606.8 kJ mol^-1 , ΔH = -610.7 kJ mol^-1and ΔS = -0.0132 kJ mol^-1K^-1while for the second step ΔG = -600.1 kJ mol^-1, ΔH = -603.6 kJ mol^-1, and ΔS = -0.0117 kJ mol^-1K^-1 were obtained. The activation energies (E_a and E_c) for steps 1 and 2 are 189.0 kJ mol^-1 and 210.6 kJ mol^-1, respectively. The positive values of and confirm the presence of energy barriers in both steps.These findings provide critical insights into the energetics and mechanism of the DDB reaction with copper cyanide, which is very crucial in understanding the strategy for the development of efficient synthetic procedures for the phthalonitrile.

Crystal Structure, in Silico Studies and Anti-diabetic Potentials of 3-e-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)hyd -razinylidene]pentane-2,4-dione(hdpp)and its Cu(II) and Ni(II) complexes

Sun, 23 Jul 2023 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(3): 589-606

Authors: Ndidiamaka. Justina Agbo, Pius Onyeoziri Ukoha, Uchechukwu Susan Oruma*, Oguejiofo T. Ujam, Tania Groutso, Okereke Solomon Ejike

Received: 02 April 2024/Accepted: 06 July 2024

The hydrazone, 3-E-[2-(1,5-Dimethyl-3-oxo-2-Phenyl-2,3-Dihydro-1h-Pyrazol-4-yl)Hydrazinylidene]Pentane-2,4-dione, HDPP was synthesized by coupling diazotized 4-aminoantipyrine with pentan-2,4-dione at < 5 ⁰C. The Cu(II) and Ni(II) complexes were prepared by refluxing stoichiometric amounts of metal salts and HDPP in ethanol for 6 h at 60 ⁰C. The ligand and complexes were characterized by UV-Vis, IR, NMR, and mass spectroscopies as well as by C, H, N, S elemental analysis, conductivity measurement, quantitative chloride determination and single crystal X-ray diffraction analysis. The compounds were screened in vitro for antibacterial activity against P. aeruginosa, S. aureus, Ecoli(Eco 6), E. coli(13), B. subtilis, S. pneumonia, P. mirabilis, S. intermedius and K. pneumoniae. The compounds were assayed for in silico molecular docking and in vivo anti-diabetic potentials. FTIR data showed shifts in ⱱ(C=O), ⱱ(N=H) and ⱱ(C=N) of the complexes implicating the involvement of these groups in complexation. Proton NMR shifts accounted for the methyl, phenyl and N-H protons of the ligand but indecipherable for the complexes due to paramagnetic effects. Conductivity values of HDPP and complexes showed the ligand and its complexes to be neutral. X-ray crystallographic data of HDPP show the ligand to have orthorhombic crystals with pbca unit cell a = 28.501(4) Å, α = 90°, b = 15.0494(19) Å, β = 90°; and c = 7.3234(9) Å, γ = 90° with Z=8. HDPP and its complexes exist in hydrazo form instead of azo form. It showed no activity against test organisms, but the complexes showed various degrees of sensitivities against the test bacterial strain at 10μg/cm³. Acute toxicity (LD₅₀) tests showed that HDPP and [Cu(HDPP)₂Cl₂] were non-toxic. In silico studies proved them to be drug candidates for diabetes with good oral bioavailability. In vivo, antidiabetic tests showed HDPP and [Cu(HDPP)₂Cl₂] to reduce the blood level of diabetic rats to within 61 to 67% better than the control drug glibenclamide within 14 days of treatment.

Analyzing Market Price Equilibrium Dynamics with Differential Equations: Incorporating Government Intervention and Market Forces

Tue, 23 Jul 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(3): 607-627

Authors: Augustine Osondu Friday Ador^,Isaac Mashingil Mankili, Franka Amaka Nwafor^,Silas Abahia Ihedioha, Bright Okore Osu

Received: 12 March 2024/Accepted : 15 July 2024

This study seeks to investigate price stability in a dynamic market, where prices are subject to sudden impacts akin to those observed during the Covid-19 lockdown in 2020, as well as other influences introduced naturally or by price regulatory agencies. By examining functions derived from price observations, changes in prices, and changes in the rate of price changes, the study analyzes their stability amidst various influences. These influences are incorporated by examining factors affecting supply and demand quantities, which are modelled using a second-order linear differential equation; . This study builds upon the research of Espinoza and Bob Foster, who analyzed a second-order differential equation with a constant inhomogeneity. It employs matrix methods to assess the stability of systems of differential equations. To analyze impulsive price changes modelled using the Dirac delta function and persistent price changes modelled with Heaviside's unit step function, the Laplace technique and its general inversion formula are applied. The study identifies conditions under which stability in the system can be maintained.

Stress Concentration at a Sharp Corner of an Elastic Strip under Anti-Plane Strain

Franca Amaka Nwafor , Augustine Friday Osondu Ador — Mon, 12 Aug 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(4): 750-756

Authors: Franca Amaka Nwafor* and Augustine Friday Osondu Ador

Received: 12 May 2024/Accepted: 16 July 2024

In this study, we investigated the behaviour of crack propagation and stress fields in power-law materials using finite element analysis. The study investigated how different power-law exponents influence stress intensity factors and crack growth. We observed from the results of the study significant variations in stress intensity factors with changes in the power-law exponent, which confirmed the critical role of material properties in predicting fracture behaviour. Materials with higher power-law exponents exhibited greater resistance to crack growth. These results promoted the necessity of considering material-specific properties, particularly the power-law exponent, in designing structural components to predict material performance and failure accurately. Based on the findings, it is recommended that engineers and material scientists prioritize the power-law behaviour of materials in structural design to improve fracture resistance. Future research should aim to develop more sophisticated models and incorporate a broader range of material behaviours and environmental conditions. Also, experimental validation and multi-scale analysis techniques should be employed to enhance the understanding of fracture behaviour in power-law materials. Establishing industry standards for assessing and reporting power-law behaviour will facilitate better application of research findings across various engineering disciplines.

Stress Concentration at a Sharp Corner of an Elastic Strip under Anti-Plane Strain

Franca Amaka Nwafor, Augustine Friday Osondu Ador — Mon, 12 Aug 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(4): 750-756

Authors: Franca Amaka Nwafor* and Augustine Friday Osondu Ador

Received: 12 May 2024/Accepted: 16 July 2024

Assessment of Gaseous Pollutants, Particulate Matter and Meteorological Parameters Around Ibom Power Plant in Ikot Abasi Local Government Area Of Akwa Ibom State, Nigeria

Akanimo Edet Jonah, Stevens Azubuike Odoemelam, Marc Ogbuagu — Mon, 12 Aug 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(4):696-710

Authors: Akanimo Edet Jonah, Stevens Azubuike , Odoemelam, and Marc Nwosu Ogbuagu
Received: 12 April 2024/Accepted: 04 August 2024:

This study investigates the concentrations of gaseous pollutants, particulate matter, and meteorological parameters around the Ibom Power Plant in Ikot Abasi Local Government Area, Akwa Ibom State, Nigeria, over one year. Using standard analytical methods, key pollutants such as NO₂, SO₂, CO, TVOC, CH₂O, PM₂.5, and PM₁₀ were monitored, alongside meteorological parameters like temperature, relative humidity, pressure, and wind speed. The monthly average concentrations of pollutants exceeded the Federal Environmental Protection Agency (FEPA) standards for NO₂, SO₂, CO, TVOC, CH₂O, PM₂.5, and PM₁₀. Seasonal analysis showed significant differences in pollutant levels between wet and dry seasons, with higher concentrations generally observed during the dry season. Notably, the Air Quality Index (AQI) indicated severe pollution levels for most pollutants throughout the study period, except for occasional moderate levels of SO₂ and CO. Correlation analysis revealed significant relationships between various pollutants, suggesting common sources or similar influencing factors. Geographic Information System (GIS) mapping further highlighted critical concentrations of NO₂ and CH₂O, with moderate levels of TVOC and low concentrations of SO₂, CO, PM₂.5, and PM₁₀. These findings underscore the potential health risks associated with prolonged exposure to elevated pollutant levels in the study area.

Heavy Metal Status and Health Risks Assessment of Some Local Alcoholic and Non-Alcoholic Beverages Consumed in Aba, Nigeria

Sat, 03 Aug 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(4):680-695

Authors: Emeka Chima Ogoko*, Aletan Uduak I, Osu Charles Ikenna, Henrietta Ijeoma Kelle and Nnamdi Ibezim Ogoko
Received: 15 May 2024/Accepted: 29 July 2024

The study was carried out to evaluate the levels heavy metals and health risk assessment in some local alcoholic (local gin, palm wine and herbal gin) and non-alcoholic beverages (zobo drink, kunu aya, and smoothies) consumed in Aba, Nigeria. Heavy metal concentrations were determined using atomic absorption spectrophotometer. The concentrations of Cr, Cd and Pb exceeded their respective standard maximum permissible limits. Computed hazard quotient was within safe limit (HQ<1) in all the studied samples, indicating that there were no potential non-carcinogenic health risks associated with consumption of these beverages with respect to Mn, Cr, Cd, Zn, Co, Cu, Fe and Pb. The incremental life cancer risk for Pb were within safe limit while the cancer risks of Cd in children exceeded the safe limit. The incremental life cancer risk for ingestion of Cr through alcoholic and non-alcoholic beverages were higher than the safe limit (<1.0 x 10-4). The unacceptable high values of incremental life cancer risk for Cd and Cr demonstrated high prospect of potential life carcinogenic health risks in Nigerian child and adult population.

Identification of Potential Aedes aegypti Juvenile Hormone Inhibitors from Methanol Extract of Leaves of Solanum erianthum: An In Silico Approach

Taye Temitope Alawode — Tue, 06 Aug 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(4):669-679

Author: Taye Temitope Alawode
Received: 24 April 2024/Accepted: 28 July 2024

This study explores the potential of phytoconstituents from the methanol extract of Solanum erianthum leaves as inhibitors of
juvenile hormones in Aedes aegypti using an in silico approach. Gas Chromatography-Mass Spectrometry (GC-MS) analysis identified key compounds in the extract, including γ-sitosterol (40.25%), Ergost-5-en-3-ol (8.75%), and Stigmasterol (8.17%). Molecular docking simulations with the juvenile hormone-binding protein (PDB ID: 5V13) revealed that Ergost5-en-3-ol (−8.316 kcal/mol) and 9,19- cycloergost-24(28)-en-3-ol (−8.388 kcal/mol) exhibited superior binding affinities compared to the standard juvenile hormone inhibitor Pyriproxyfen (−6.081 kcal/mol). Additionally, Phenol, 2,4-bis(1,1-dimethylethyl) (−7.063 kcal/mol) and DL-α-Tocopherol (−6.411 kcal/mol) showed moderate binding affinities. The physicochemical properties of these compounds, including their potential for intestinal absorption and blood-brain barrier penetration, were favourable. These findings suggest that the identified compounds may serve as promising bioinsecticides for controlling Aedes aegypti and mitigating the
spread of vector-borne diseases.

Statistical Characterization of Surface Duct Conditions and their Implications on Microwave Propagation Over Lagos, Nigeria

Olalekan Lawrence Ojo, Joseph Sunday Ojo, Omotoyosi Omotayo Omoyele — Tue, 23 Jul 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(3): 628-640

Authors: Olalekan Lawrence Ojo, Joseph Sunday Ojoand Omotoyosi Omotayo Omoyele

Received: 04 April 2024/Accepted: 11 July 2024

Surface ducts, and atmospheric layers that trap and guide radio waves can significantly impact microwave signal propagation. Consequently, in this study, we analyzed their statistical occurrence in Lagos, Nigeria, using five years (2018-2022) of meteorological data from the European Centre for Medium-Range Weather Forecasts (ECMWF) ERA-5 reanalysis. The investigation focused on how factors like temperature, humidity, and pressure influence radio refractivity and the formation of surface ducts at different heights (100 m and 300 m) and observation times (00:00 and 12:00 hours). The results reveal a higher prevalence of surface ducts at 100 meters, particularly during the dry season (November-March) and at noon (12:00 hour). This implies that microwave signals are more likely to be trapped and travel farther during these periods, potentially causing interference with distant communication systems. Our findings establish the importance of considering surface ducts when designing and deploying communication infrastructure in coastal regions like Lagos.

Absorption Studies of Some Agricultural Solid Wastes as Biosorbent for the Clean-up of Oil Spill

Tue, 23 Jul 2024 00:00:00 +0000

Authors: Henrietta Ijeoma Kelle*, Maureen Nkemdilim Chukwu, Emily Osa Iduseri, Emeka Chima Ogoko and Rawlings Abem Timothy

Received: 02 May 2024/Accepted: 19 July 2024

Oil spills are a major environmental threat, causing ecological, economic, and health issues. Traditional cleanup methods like chemical dispersants, in-situ burning, and synthetic sorbents have drawbacks such as secondary pollution and high costs. This study investigates the use of agricultural solid wastes—pineapple leaves, pineapple peels, and oil palm empty fruit bunch (OPEFB)—as biosorbents for oil spill cleanup. The biosorbents were evaluated for their oil sorption capacities under different temperatures and contact times. The oil sorption capacity for the milled samples at 25 °C showed that the standard synthetic sorbent had the highest capacity, reaching 14.08 g/g, while pineapple leaves had a peak capacity of 7.92 g/g at 3 minutes before stabilizing around 5.5 - 6.0 g/g. Pineapple peel and OPEFB exhibited lower capacities of 1.30 g/g and 2.66 g/g, respectively. At 30 °C, the standard sorbent again had the highest capacity at 14.73 g/g, with pineapple leaves reaching 8.13 g/g, OPEFB at 3.02 g/g, and pineapple peels at 1.96 g/g. The reusability and recovery efficiency of these materials were also assessed, with pineapple leaves showing high reusability (90 ± 0.01%) and recovery efficiency (90 ± 1.35%) at 25°C. The study demonstrates the potential of pineapple leaves as a viable biosorbent for oil spill remediation, given their relatively high and consistent oil sorption capacity and reusability. Pineapple peel and OPEFB, while less effective, could be considered for low-cost or supplementary adsorption materials. Further research is recommended to optimize these biosorbents and explore their practical applications in varying environmental conditions.

The Geochemistry and Petrogenesis of the Iron-Bearing Sediments of Mfamosing, Southeastern (SE), Nigeria: Evidence from Major Oxides and Its Implication for Industrial Utilization

Mon, 26 Aug 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(4): 767-784

Authors: Benjamin Odey Omang^*, Temple Okah Arikpo, Eyong Gods’will Abam, Asinya Enah Asinya, Godwin Terwase Kave and Anthony Adesoji Onasanwo

Iron ore, a critical resource for global industrial activities, plays a pivotal role in driving economic development and sustaining essential sectors such as construction, manufacturing, and infrastructure. Nigeria is endowed with substantial iron ore reserves, including the Mfamosing area, which has recently garnered attention for its untapped potential. However, limited comprehensive studies hinder a clear understanding of the iron ore occurrences and their industrial viability. This study addresses this gap by investigating the geochemistry of the iron-bearing metasediments in the Mfamosing area, utilizing X-ray fluorescence (XRF) to analyze major oxides. Field and laboratory studies were conducted, involving the collection of twenty-five (25) sediment samples from the Mfamosing area and subsequent XRF analysis. The results revealed a high content of Fe₂O₃ (hematite) in the range of 62.64–80.45 wt.%, indicating the dominance of iron-rich minerals. The presence of SiO₂, Al₂O₃, and other oxides suggests potential gangue minerals and aids in understanding the ore's composition. The petrogenesis study compares the geochemical characteristics of the Mfamosing iron ore with other iron-bearing formations globally. The findings indicate a sedimentary origin, with hydrothermal influence evidenced by Fe/Al and Fe/Si ratios. The low concentration of detrital materials further supports a primarily seawater-derived iron source. The iron ore has low concentrations of deleterious elements. Classification based on Fe₂O₃ content places most samples in the high-grade category, making them suitable as a primary raw material for steel production. Comparisons with other iron formations in Nigeria and worldwide affirm the Mfamosing iron ore's competitiveness on a global scale.

Assessment of Growth and Adaptation Rate of Mung Beans (vigna radiata) Planted in Different Planting Periods in Abagana, South Eastern Nigeria

Sat, 24 Aug 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(4): 757-766

Authors: Chukwura Nnabike Francis, Cletus Onyemeforo Ezidi, Abdullahi Mustapha, Ebelechukwu Christiana Mmuta, Chinyere Eucharia Umeocho and Rita Ogechukwu Ohakwe

Received: 36 March 2024/Accepted: 30 July 2024

Research was conducted to compare the growth characteristics, adaptation rate and attributes of mung beans (Vigna radiata) planted in different planting periods in Abagana, South Eastern Nigeria. The experiment was carried out at Bioresources Development Centre, Abagana, Anambra State, between February to April, May to July and August to October all in 2021. Mung beans seeds were planted using a planting distance of 30cm by 60cm in each planting period. The mung beans cultivated matured from nine to ten weeks after planting in each planting period and data was collected weekly in some phenotypic characteristics of the crop from the first week to the tenth week after planting. The highest mean values per plant of some agronomic characters collected from the field such as plant height (cm), number of leaves, length of leaves (cm), width of leaves (cm) and number of pods were 17.2cm, 18, 6.0cm, 4.8cm and 20 for those grown between Februaryto April while those grown between May to July were 35.4cm, 39, 14.6cm, 12.9cm and 37, and those of August to October were 34.6cm, 37, 13.8cm, 13.0cm and 35.There were no significant difference (P>0.05) between the mung beans planted from May to July and those planted from August to October with respect to the above agronomic characters. Significant difference (P<0.05) existed between the mung beans planted from February to April when compared with those of May to July and August to October with respect to the above-mentioned agronomic characters. The result of the data collected from the field which was used as the plant adaptation parameters suggested that the mung beans grown between May to July and August to October had a better adaptation to the planting periods when compared with those grown from February to April 2021.

Development and Applications of the Type II Half-Logistic Inverse Weibull Distribution

Yakubu Isa, Radiya Muhammad Said, Juliet Wallen Piapna, Abdulhaq Bashir — Mon, 12 Aug 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(4): 721-733

Author: Yakubu Isa^*, Radiya Muhammad Said, Juliet Wallen Piapna’an and Abdulhaq Bashir

Received: Received: 24 May 2024/Accepted: 05 August 2024

A variety of distribution classes have emerged by expanding or generalizing well-known continuous distributions to enhance their flexibility and adaptability across various fields. One such distribution is the Inverse Weibull (IW) distribution, introduced by Keller and Kanath in 1982, which has proven effective in modelling failure characteristics. Over the years, several extensions of the IW distribution have been developed, including the Beta Inverse Weibull, Kumaraswamy-Inverse Weibull, and many others. This paper introduces a novel extension called the Type II Half-Logistic Inverse Weibull (TIIHLEtIW) distribution, derived from the Type II Half-Logistic Exponentiated-G (TIIHLEt-G) family proposed by Bello et al. in 2021. The TIIHLEtIW distribution incorporates two additional shape parameters, enhancing its flexibility. We provide the cumulative distribution function (cdf), probability density function (pdf), and key statistical properties, including moments, moment-generating function, reliability function, hazard function, and quantile function. Maximum likelihood estimation (MLE) is employed for parameter estimation, and a simulation study evaluates the performance of the MLEs. Finally, the applicability and superiority of the TIIHLEtIW distribution are demonstrated through a comparative study using two real datasets, showcasing its improved fit over several established distributions.

Pore Parameters Analysis of Echinochloa pyramidalis leaf Dopped Silver Nanoparticles

Nyeneime William Akpanudo, Ojeyemi Matthew Olabemiwo — Sun, 15 Sep 2024 00:00:00 +0000

Communication in Physical Sciences, 2024, 11(4): 711-720

Authors: Nyeneime William Akpanudo* and Ojeyemi Matthew Olabemiwo

Received: 02 April 2024/Accepted: 18 August 2024

Nanoparticles are significant products that have attracted a high level of market demand because of their outstanding surface properties. Silver nanoparticles are preferred in numerous industrial applications including water purification because of their thermal stability, particle size, surface area and other pore properties. In this study, silver nanoparticles (AgNPs) were synthesised using leaf extract of Echinochloa pyramidalis and later doped with the powder leaf sample. The products were analysed for their fundamental properties (i.e surface and pore properties) using nitrogen adsorption methods based on the BET models. The results, derived from Density Functional Theory (DFT) and differential pore volume (dV(d)) data, reveal that AgNPs exhibit a mesoporous structure with pore diameters ranging from 1.7656 to 2.7691 nm. The cumulative pore volume increases with pore width, reaching 5.52 × 10⁻² cm³/g, while the cumulative surface area grows to 47.1 m²/g, indicating a broad distribution of pore sizes. The differential analysis identifies key pore diameters at 2.3129, 2.4194, 2.5307, and 2.6472 nm as significant contributors to the material's pore volume and surface area. The average pore diameter is calculated to be approximately 4.69 nm. Langmuir and BET models for nitrogen adsorption provide surface area estimates of 522.586 m²/g and 167.780 m²/g, respectively, highlighting the high surface area to volume ratio of the nanoparticles. The findings confirm that the mesoporous nature of AgNPs, with a diverse range of pore sizes contribute to their significant surface area and adsorption capacity.