The stoichiometry, kinetics and mechanism of the electron transfer reaction between tetraoxoiodat... more The stoichiometry, kinetics and mechanism of the electron transfer reaction between tetraoxoiodate (VII) ion and 1,3-benzenediol have been investigated at 30±0.5 o C. The reaction follows the rate law:
Overproduction of free radicals in the body may result in oxidative stress, which plays an active... more Overproduction of free radicals in the body may result in oxidative stress, which plays an active role in the development of various health disorders. Consequently, the development of efficient free radical scavengers and evaluation of their antioxidant properties is a research area of interest. In the present research, computational quantum chemical approach based on the density functional theory (DFT) method was employed to elucidate the free radical scavenge of chalcone derivatives via thermodynamic studies. New set of chalcone antioxidants were designed. Their reactivity towards hydroperoxyl (HOO·) and methyl peroxyl (CH3OO·) radicals were investigated through systematic study of their mechanism of free radical scavenge. Various reaction enthalpies and Gibbs free energy that characterize the various steps in these mechanisms were computed in the gas phase and aqueous solution, in order to identify the main channels of reaction. Results in the gas phase indicate that hydrogen atom transfer (HAT) and sequential proton loss electron transfer (SPLET) mechanisms represent the most plausible reaction pathways, while single electron transfer followed by proton transfer (SET-PT) mechanism was thermodynamically unfeasible. However, these mechanisms were thermodynamically favoured in aqueous solution. Also, these chalcone derivatives were observed to be more effective in scavenging HOO· than CH3OO· radicals in both phases. Based on the exergonicity of the obtained results, the molecule MCHM 17 ((E)-1-(3-bromo-5-hydroxyphenyl)-3-(2,5-dihydroxyphenyl)prop-2-en-1-one) at the 5-OH site was found to exhibit the greatest potential to scavenge HOO· and CH3OO· radicals in both phases. This research is a gateway to the efficient exploitation of these compounds in pharmacy and food chemistry.
Through an eco-friendly solvothermal approach, a reduced graphene oxide (rGO) was successfully fa... more Through an eco-friendly solvothermal approach, a reduced graphene oxide (rGO) was successfully fabricated for the convenient removal of diethyl phthalate (DEP) and di(2-ethylhexyl) phthalate (DEHP) from water streams. The morphological and spectroscopical characterization of the prepared rGO was accomplished using SEM, FTIR, EDX and UV-visible spectroscopy. The adsorption properties of rGO was explored using static adsorption experiments. Kinetics, isotherms, thermodynamics and computational studies were performed to evaluate the adsorption process. The results disclosed that the experimental data were compatible with pseudo-second-order kinetics and the Freundlich adsorption isotherm. The kinetic diffusion model revealed that intraparticle diffusion is present but may not be the sole rate-limiting factor. Thermodynamic analysis indicated that the test adsorbent spontaneously adsorbed DEP and DEHP, driven mainly by entropy change. In the light of theoretical quantum studies, the fr...
Oxidation of L-cysteine by tetrakis(2,2’-bipyridine)-μ-oxodiiron (III) ion has been investigated ... more Oxidation of L-cysteine by tetrakis(2,2’-bipyridine)-μ-oxodiiron (III) ion has been investigated in aqueous acidic medium by measuring increase in the absorbance of the product solution at 520nm. The reaction displayed 1:1 stoichiometry and obeyed the rate law: ] [ ] [ 2 1 4 2 2 + + = O Fe k dt Fe d
This study aimed to examine the prophetic tradition in modern healing, and to obtain a comprehens... more This study aimed to examine the prophetic tradition in modern healing, and to obtain a comprehensive overview on the discourse from the divine revelation and sunnah, although they are basically sources of Islamic law, which covered to a large extent all aspects of man’s mundane affairs, most of which have been demonstrated in the sayings, actions and judgements of the prophet (peace be upon him). The Islamic religion, as a guide to man in all aspects of life ramifications, has a serious concern with the general principle of medicine be it personal hygiene or public health. The Qur’anic verses on this topic are numerous, where medicine is also discussed and practiced, and there are many sayings of the prophet, (peace be upon him), that deal with health, disease, hygiene and other issues in the field of medicine. Diseases such as leprosy, pleura and eye surgery have been mentioned. Likewise, it suggests treatments such as cupping, honey and home remedies. These group of hadith in medi...
Formaldehyde and proteins cross link adducts have variously been reported and also associated wit... more Formaldehyde and proteins cross link adducts have variously been reported and also associated with some health risk factors like diabetes. In this study, an 3,5diphenylamine-1,4 dihydro-2,6-dimethylpyridine dicarboxylate adduct was prepared from a mixture of Formaldehyde, Acetoacetinalide and Plasma Albumin and was characterized using melting point, IR, Uv spectra characteristics as well as the antimicrobial activity based on the method described by Hantzsch. The adduct was found to have a melting temperature range of (179.5 180.4°C). The result of the FTIR analysis showed the functional groups present in the adduct as follows: The band at 2948.85 cm -1 was assigned to aldehyde (HC=O) group. The ones at 3850.5 cm -1 3736.73 and 3617.47 were found to be (O-H) stretch for water of hydration and N-H stretches. The sharp 2356.87 band was found to be due to N-H stretch from amines in the adduct while the bands at 1739.68, 1547.01 cm -1 and 1032.63 cm -1 were attributed to C=O and C-H str...
Electric car is an alternative power source to reduce pollution and to minimize the usage of mine... more Electric car is an alternative power source to reduce pollution and to minimize the usage of mineral oil, and the system also release zero imitation. Moreover, the research of this technology have been started in early 1880s, and gaining popularity in the late 19th century. This technology are started forgotten when the advances technology in the internal combustion engine, and this technology provide a low cost and high efficient in that time. The basic of electric vehicles technology divide into three parts; power source (battery), controller and the motor. This technology become a trend nowadays following a rapid development and concernity to environment and health. There is two different technology widely used in automotive industry, there is the brushless and also the induction motor. Where the induction motor using a looping of copper coil, while the brushless motor using a permanent magnet as a rotor. In this study, the induction motor is used to drive the vehicle. Induction ...
The impacts of the secular education system on the Muslims are very alarming. It has been creatin... more The impacts of the secular education system on the Muslims are very alarming. It has been creating doubts, errors, fantasies, disconnections and confusions in the mind of the Muslims and most importantly the youth. This pathetic scenario metamorphoses and it has been causing the youths too greatly in losing their self-identity as Muslims. The inability to learn and experience the uniqueness of the educational pedagogy of Prophet Muhammad (PBUH) has failed many people woefully to see the beauty of Islam in its holistic approach with regards to its educational pedagogy. Different pedagogical theories that have been formulated by the secular educationists carried out the notion of different belief systems from the west and its Eurocentric ideology. However, having studied the life and teachings of a man who has been considered as the best exemplary and the modest for the entire humanity by the Muslim and non-Muslims alike. It has been clearly noted that there are varieties of ways and ...
Beni-Suef University Journal of Basic and Applied Sciences
Background BiFeO3 shows promising applications in photocatalytic degradation, purification proces... more Background BiFeO3 shows promising applications in photocatalytic degradation, purification process, and in clean energy generation. The various fascinating properties of bismuth ferrite nanoparticles can be improved by doping the material at either of the A or B sites to give it extra photocatalytic advantage toward decreasing the energy bandgap and other photophysical properties of the material. Results In this research, pure Bi0.65K0.2Ba0.15FeO3 perovskite material was synthesized using the sol-gel method via citric acid route in the presence of sodium dodecyl sulfate (SDS). The powdered nanoparticles were annealed at different annealing temperatures of 600, 700, and 800 °C each for 4 h in a muffle furnace and coded K2BFO 600, K2BFO 700, and K2BFO 800 corresponding to the annealing temperature of each portion. The powder nanoparticles were characterized using powdered X-ray diffraction (PXRD) to determine the crystallite structure. The samples displayed similar peak patterns with ...
The 2, 2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging properties of selected hydrazon... more The 2, 2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging properties of selected hydrazone antioxidants was investigated by the application of Quantitative Structure Activity Relationship (QSAR). Density functional theory (DFT) was employed in the optimization of the molecular structures. Internal and external validation as well as y-randomization tests were conducted in order to confirm the statistical reliability and acceptability of the developed models. The leverage approach was employed in the assessment of the applicability domain of the developed model. While the relative contribution and strength of each descriptor in the model was obtained by estimating the variation inflation factor, mean effect, and degree of contribution of each descriptor in the developed model. Model 3 which gave the best validation results was chosen as the best of the five models. This model dictates that the most important descriptors that influence the free radical scavenging activities of ...
The prevalence of degenerative diseases in recent time has triggered extensive research on their ... more The prevalence of degenerative diseases in recent time has triggered extensive research on their control. This condition could be prevented if the body has an efficient antioxidant mechanism to scavenge the free radicals which are their main causes. Curcumin and its derivatives are widely employed as antioxidants. The free radical scavenging activities of curcumin and its derivatives have been explored in this research by the application of quantitative structure activity relationship (QSAR). The entire data set was optimized at the density functional theory (DFT) level using the Becke's three-parameter Lee-Yang-Parr hybrid functional (B3LYP) in combination with the 6-311G basis set. The training set was subjected to QSAR studies by genetic function algorithm (GFA). Five predictive QSAR models were developed and statistically subjected to both internal and external validations. Also the applicability domain of the developed model was accessed by the leverage approach. Furthermor...
International Letters of Chemistry, Physics and Astronomy, 2016
The kinetics of redox reaction of neutral red, NR+, with nitrite ion, NO2-, was studied in aqueou... more The kinetics of redox reaction of neutral red, NR+, with nitrite ion, NO2-, was studied in aqueous hydrochloric acid medium under pseudo-first order conditions at 25 ± 1°C, [H+] = 2.0 × 10-3mol dm-3, I = 0.1 mol dm-3(NaCl) and λmax= 525 nm. The reaction was first order with respect to [NR+], [NO2-] and [H+]. The reaction displayed a negative Bronsted-Debye salt effect. There was no evidence of the formation of an intermediate complex of significant stability and free radicals are probably not present in the reaction. The observations above, coupled with the result of Michaelis-Menten plot suggests an outer sphere mechanism for the reaction. The reaction obeys the rate law: -d [NR+]/dt = (a + b [H+])[NR+][NO2-]. A plausible mechanism has been proposed for the reaction.
... in aqueous perchloric acid AD Onu ∆ JF Iyun ∆ SO Idris ... A stock solution of acid was made ... more ... in aqueous perchloric acid AD Onu ∆ JF Iyun ∆ SO Idris ... A stock solution of acid was made by dilut-ing analar grade perchloric acid (70%, specific gravity AD Onu ¡ JF Iyun ¡ SO Idris Department of Chemistry, Ahmadu Bello University, Zaria, Nigeria ...
The stoichiometry, kinetics and mechanism of the electron transfer reaction between tetraoxoiodat... more The stoichiometry, kinetics and mechanism of the electron transfer reaction between tetraoxoiodate (VII) ion and 1,3-benzenediol have been investigated at 30±0.5 o C. The reaction follows the rate law:
Overproduction of free radicals in the body may result in oxidative stress, which plays an active... more Overproduction of free radicals in the body may result in oxidative stress, which plays an active role in the development of various health disorders. Consequently, the development of efficient free radical scavengers and evaluation of their antioxidant properties is a research area of interest. In the present research, computational quantum chemical approach based on the density functional theory (DFT) method was employed to elucidate the free radical scavenge of chalcone derivatives via thermodynamic studies. New set of chalcone antioxidants were designed. Their reactivity towards hydroperoxyl (HOO·) and methyl peroxyl (CH3OO·) radicals were investigated through systematic study of their mechanism of free radical scavenge. Various reaction enthalpies and Gibbs free energy that characterize the various steps in these mechanisms were computed in the gas phase and aqueous solution, in order to identify the main channels of reaction. Results in the gas phase indicate that hydrogen atom transfer (HAT) and sequential proton loss electron transfer (SPLET) mechanisms represent the most plausible reaction pathways, while single electron transfer followed by proton transfer (SET-PT) mechanism was thermodynamically unfeasible. However, these mechanisms were thermodynamically favoured in aqueous solution. Also, these chalcone derivatives were observed to be more effective in scavenging HOO· than CH3OO· radicals in both phases. Based on the exergonicity of the obtained results, the molecule MCHM 17 ((E)-1-(3-bromo-5-hydroxyphenyl)-3-(2,5-dihydroxyphenyl)prop-2-en-1-one) at the 5-OH site was found to exhibit the greatest potential to scavenge HOO· and CH3OO· radicals in both phases. This research is a gateway to the efficient exploitation of these compounds in pharmacy and food chemistry.
Through an eco-friendly solvothermal approach, a reduced graphene oxide (rGO) was successfully fa... more Through an eco-friendly solvothermal approach, a reduced graphene oxide (rGO) was successfully fabricated for the convenient removal of diethyl phthalate (DEP) and di(2-ethylhexyl) phthalate (DEHP) from water streams. The morphological and spectroscopical characterization of the prepared rGO was accomplished using SEM, FTIR, EDX and UV-visible spectroscopy. The adsorption properties of rGO was explored using static adsorption experiments. Kinetics, isotherms, thermodynamics and computational studies were performed to evaluate the adsorption process. The results disclosed that the experimental data were compatible with pseudo-second-order kinetics and the Freundlich adsorption isotherm. The kinetic diffusion model revealed that intraparticle diffusion is present but may not be the sole rate-limiting factor. Thermodynamic analysis indicated that the test adsorbent spontaneously adsorbed DEP and DEHP, driven mainly by entropy change. In the light of theoretical quantum studies, the fr...
Oxidation of L-cysteine by tetrakis(2,2’-bipyridine)-μ-oxodiiron (III) ion has been investigated ... more Oxidation of L-cysteine by tetrakis(2,2’-bipyridine)-μ-oxodiiron (III) ion has been investigated in aqueous acidic medium by measuring increase in the absorbance of the product solution at 520nm. The reaction displayed 1:1 stoichiometry and obeyed the rate law: ] [ ] [ 2 1 4 2 2 + + = O Fe k dt Fe d
This study aimed to examine the prophetic tradition in modern healing, and to obtain a comprehens... more This study aimed to examine the prophetic tradition in modern healing, and to obtain a comprehensive overview on the discourse from the divine revelation and sunnah, although they are basically sources of Islamic law, which covered to a large extent all aspects of man’s mundane affairs, most of which have been demonstrated in the sayings, actions and judgements of the prophet (peace be upon him). The Islamic religion, as a guide to man in all aspects of life ramifications, has a serious concern with the general principle of medicine be it personal hygiene or public health. The Qur’anic verses on this topic are numerous, where medicine is also discussed and practiced, and there are many sayings of the prophet, (peace be upon him), that deal with health, disease, hygiene and other issues in the field of medicine. Diseases such as leprosy, pleura and eye surgery have been mentioned. Likewise, it suggests treatments such as cupping, honey and home remedies. These group of hadith in medi...
Formaldehyde and proteins cross link adducts have variously been reported and also associated wit... more Formaldehyde and proteins cross link adducts have variously been reported and also associated with some health risk factors like diabetes. In this study, an 3,5diphenylamine-1,4 dihydro-2,6-dimethylpyridine dicarboxylate adduct was prepared from a mixture of Formaldehyde, Acetoacetinalide and Plasma Albumin and was characterized using melting point, IR, Uv spectra characteristics as well as the antimicrobial activity based on the method described by Hantzsch. The adduct was found to have a melting temperature range of (179.5 180.4°C). The result of the FTIR analysis showed the functional groups present in the adduct as follows: The band at 2948.85 cm -1 was assigned to aldehyde (HC=O) group. The ones at 3850.5 cm -1 3736.73 and 3617.47 were found to be (O-H) stretch for water of hydration and N-H stretches. The sharp 2356.87 band was found to be due to N-H stretch from amines in the adduct while the bands at 1739.68, 1547.01 cm -1 and 1032.63 cm -1 were attributed to C=O and C-H str...
Electric car is an alternative power source to reduce pollution and to minimize the usage of mine... more Electric car is an alternative power source to reduce pollution and to minimize the usage of mineral oil, and the system also release zero imitation. Moreover, the research of this technology have been started in early 1880s, and gaining popularity in the late 19th century. This technology are started forgotten when the advances technology in the internal combustion engine, and this technology provide a low cost and high efficient in that time. The basic of electric vehicles technology divide into three parts; power source (battery), controller and the motor. This technology become a trend nowadays following a rapid development and concernity to environment and health. There is two different technology widely used in automotive industry, there is the brushless and also the induction motor. Where the induction motor using a looping of copper coil, while the brushless motor using a permanent magnet as a rotor. In this study, the induction motor is used to drive the vehicle. Induction ...
The impacts of the secular education system on the Muslims are very alarming. It has been creatin... more The impacts of the secular education system on the Muslims are very alarming. It has been creating doubts, errors, fantasies, disconnections and confusions in the mind of the Muslims and most importantly the youth. This pathetic scenario metamorphoses and it has been causing the youths too greatly in losing their self-identity as Muslims. The inability to learn and experience the uniqueness of the educational pedagogy of Prophet Muhammad (PBUH) has failed many people woefully to see the beauty of Islam in its holistic approach with regards to its educational pedagogy. Different pedagogical theories that have been formulated by the secular educationists carried out the notion of different belief systems from the west and its Eurocentric ideology. However, having studied the life and teachings of a man who has been considered as the best exemplary and the modest for the entire humanity by the Muslim and non-Muslims alike. It has been clearly noted that there are varieties of ways and ...
Beni-Suef University Journal of Basic and Applied Sciences
Background BiFeO3 shows promising applications in photocatalytic degradation, purification proces... more Background BiFeO3 shows promising applications in photocatalytic degradation, purification process, and in clean energy generation. The various fascinating properties of bismuth ferrite nanoparticles can be improved by doping the material at either of the A or B sites to give it extra photocatalytic advantage toward decreasing the energy bandgap and other photophysical properties of the material. Results In this research, pure Bi0.65K0.2Ba0.15FeO3 perovskite material was synthesized using the sol-gel method via citric acid route in the presence of sodium dodecyl sulfate (SDS). The powdered nanoparticles were annealed at different annealing temperatures of 600, 700, and 800 °C each for 4 h in a muffle furnace and coded K2BFO 600, K2BFO 700, and K2BFO 800 corresponding to the annealing temperature of each portion. The powder nanoparticles were characterized using powdered X-ray diffraction (PXRD) to determine the crystallite structure. The samples displayed similar peak patterns with ...
The 2, 2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging properties of selected hydrazon... more The 2, 2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging properties of selected hydrazone antioxidants was investigated by the application of Quantitative Structure Activity Relationship (QSAR). Density functional theory (DFT) was employed in the optimization of the molecular structures. Internal and external validation as well as y-randomization tests were conducted in order to confirm the statistical reliability and acceptability of the developed models. The leverage approach was employed in the assessment of the applicability domain of the developed model. While the relative contribution and strength of each descriptor in the model was obtained by estimating the variation inflation factor, mean effect, and degree of contribution of each descriptor in the developed model. Model 3 which gave the best validation results was chosen as the best of the five models. This model dictates that the most important descriptors that influence the free radical scavenging activities of ...
The prevalence of degenerative diseases in recent time has triggered extensive research on their ... more The prevalence of degenerative diseases in recent time has triggered extensive research on their control. This condition could be prevented if the body has an efficient antioxidant mechanism to scavenge the free radicals which are their main causes. Curcumin and its derivatives are widely employed as antioxidants. The free radical scavenging activities of curcumin and its derivatives have been explored in this research by the application of quantitative structure activity relationship (QSAR). The entire data set was optimized at the density functional theory (DFT) level using the Becke's three-parameter Lee-Yang-Parr hybrid functional (B3LYP) in combination with the 6-311G basis set. The training set was subjected to QSAR studies by genetic function algorithm (GFA). Five predictive QSAR models were developed and statistically subjected to both internal and external validations. Also the applicability domain of the developed model was accessed by the leverage approach. Furthermor...
International Letters of Chemistry, Physics and Astronomy, 2016
The kinetics of redox reaction of neutral red, NR+, with nitrite ion, NO2-, was studied in aqueou... more The kinetics of redox reaction of neutral red, NR+, with nitrite ion, NO2-, was studied in aqueous hydrochloric acid medium under pseudo-first order conditions at 25 ± 1°C, [H+] = 2.0 × 10-3mol dm-3, I = 0.1 mol dm-3(NaCl) and λmax= 525 nm. The reaction was first order with respect to [NR+], [NO2-] and [H+]. The reaction displayed a negative Bronsted-Debye salt effect. There was no evidence of the formation of an intermediate complex of significant stability and free radicals are probably not present in the reaction. The observations above, coupled with the result of Michaelis-Menten plot suggests an outer sphere mechanism for the reaction. The reaction obeys the rate law: -d [NR+]/dt = (a + b [H+])[NR+][NO2-]. A plausible mechanism has been proposed for the reaction.
... in aqueous perchloric acid AD Onu ∆ JF Iyun ∆ SO Idris ... A stock solution of acid was made ... more ... in aqueous perchloric acid AD Onu ∆ JF Iyun ∆ SO Idris ... A stock solution of acid was made by dilut-ing analar grade perchloric acid (70%, specific gravity AD Onu ¡ JF Iyun ¡ SO Idris Department of Chemistry, Ahmadu Bello University, Zaria, Nigeria ...
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