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Your search keyword '"Ikeuba, Alexander I."' showing total 147 results
Start Over Author "Ikeuba, Alexander I."
147 results on '"Ikeuba, Alexander I."'

38. Anti-corrosion and adsorption properties of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl) ethanol: electrochemical and computational chemistry investigation.

Author

Ogoba, Abima Julian, Adalikwu, Stephen Adie, Abeng, Fidelis Ebunta, and Ikeuba, Alexander I.

Subjects
CARBON steel, ETHANOL, ELECTROCHEMICAL analysis, COMPUTATIONAL chemistry, QUANTUM chemistry
Abstract

Because conventional inhibitors are nonbiodegradable and harmful, the development of ecofriendly corrosion inhibitors is gaining popularity. The anti-corrosive efficacy of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl) ethanol on carbon steel in an chloride solution was evaluated in this study using a variety of approaches such as electrochemical measurements and computational studies. The results showed that increasing the concentration of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl) ethanol from 0.1 to 3.0 g/L enhanced the inhibition efficiency (IE%) to 90.18-91.71 %. The high ΔE(eV) value of 0.239 and the interaction and binding energies of - 995.45 and 995.45 for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl) ethanol molecules onto Fe (110) substrate were further supported by quantum chemical analytics, which also supported the empirical results. The results show that 2-(2-Methyl-5-nitro-1H-imidazol-1-yl) ethanol has a bright future as an effective and environmentally safe inhibitor for preventing carbon steel from corroding in corrosive media. [ABSTRACT FROM AUTHOR]

Published
2024

39. Computational insights into the electronic structure and adsorption properties of CN, CNCl, and NO2 on metal (Na, Zn, and Al,) doped fullerene surfaces.

Author

Asogwa, Fredrick C., Igwe, Cynthia C., Edet, Henry O., Ikeuba, Alexander I., Imojara, Anna, Igomah, Godwin O., and Odey, Diana O.

Abstract

The hazards of pollution are highlighted by gas exposure, and creating effective adsorbents is essential for maintaining clean air, the environment, and human health. In our study, employing the DFT/M062x/def2svp level of theory, the potentials of metal-doped (Na, Zn, and Al) fullerene surfaces as efficient adsorbents for CN, CNCl, and NO2 gases were evaluated. Investigation revealed that the introduction of metal dopants has visible impacts on the structural and electronic properties of fullerene surfaces. Specifically, a slight increase in the bond length of C–C bonds, with protruded bonds forming between the doped atoms and carbon atoms, was observed. The obtained energy gap (Eg) demonstrated a consistent reduction across the doped surfaces, indicative of heightened sensitivity toward the gas analytes. C59Al exhibited a higher Eg (3.876 eV), while C59Zn displayed a lower value (3.103 eV) compared to C59Na. Topology analysis using the quantum theory of atoms in molecules (QTAIM) predicted non-covalent interactions between gas analytes and metal-doped fullerene surfaces, a finding that was further substantiated by the analysis of non-covalent interactions. Focusing on CN gas adsorption, distinct behaviors emerged, where C59Na exhibited strong adsorption (Eads = −2.67 eV), surpassing C59Al (−1.82 eV) and C59Zn (−0.64 eV). A similar trend was observed for CNCl and NO2 gas adsorption, with C59Na consistently showing higher adsorption energies. This alignment was corroborated by frontier molecular orbital (FMO) and natural bond orbital (NBO) analyses. The results for dipole moment and recovery time emulated those of adsorption energy, emphasizing the stability and uniformity in adsorbed states. This collective evidence highlights the potential of doped surfaces to effectively adsorb specific gas molecules, offering insights into their applicability in gas sensing and environmental remediation. [ABSTRACT FROM AUTHOR]

Published
2024
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42. Computational insights into the electronic structure and adsorption properties of CN, CNCl, and NO2on metal (Na, Zn, and Al,) doped fullerene surfaces

Author

Asogwa, Fredrick C., Igwe, Cynthia C., Edet, Henry O., Ikeuba, Alexander I., Imojara, Anna, Igomah, Godwin O., and Odey, Diana O.

Abstract

The hazards of pollution are highlighted by gas exposure, and creating effective adsorbents is essential for maintaining clean air, the environment, and human health. In our study, employing the DFT/M062x/def2svp level of theory, the potentials of metal-doped (Na, Zn, and Al) fullerene surfaces as efficient adsorbents for CN, CNCl, and NO2gases were evaluated. Investigation revealed that the introduction of metal dopants has visible impacts on the structural and electronic properties of fullerene surfaces. Specifically, a slight increase in the bond length of C–C bonds, with protruded bonds forming between the doped atoms and carbon atoms, was observed. The obtained energy gap (Eg) demonstrated a consistent reduction across the doped surfaces, indicative of heightened sensitivity toward the gas analytes. C59Al exhibited a higher Eg (3.876 eV), while C59Zn displayed a lower value (3.103 eV) compared to C59Na. Topology analysis using the quantum theory of atoms in molecules (QTAIM) predicted non-covalent interactions between gas analytes and metal-doped fullerene surfaces, a finding that was further substantiated by the analysis of non-covalent interactions. Focusing on CN gas adsorption, distinct behaviors emerged, where C59Na exhibited strong adsorption (Eads = −2.67 eV), surpassing C59Al (−1.82 eV) and C59Zn (−0.64 eV). A similar trend was observed for CNCl and NO2gas adsorption, with C59Na consistently showing higher adsorption energies. This alignment was corroborated by frontier molecular orbital (FMO) and natural bond orbital (NBO) analyses. The results for dipole moment and recovery time emulated those of adsorption energy, emphasizing the stability and uniformity in adsorbed states. This collective evidence highlights the potential of doped surfaces to effectively adsorb specific gas molecules, offering insights into their applicability in gas sensing and environmental remediation.

Published
2024
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46. Strategies for the delay of food spoilage in copper-bearing antibacterial wares: A focused review

Author

Kolawole, Sharafadeen Kunle, primary, Etim, Ini-Ibehe N., additional, Uzoma, Paul C., additional, Ekerenam, Okpo O., additional, Emori, Wilfred, additional, Ikeuba, Alexander I., additional, Udoh, Inime I., additional, Njoku, Chigoziri N., additional, Njoku, Demian I., additional, Olanrele, Olajire S., additional, Okonkwo, Bright, additional, Etim, Iniobong P., additional, and Daniel, Enobong F., additional

Published
2023
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48. Role of Fe oxide in the underdeposit corrosion of pipeline steel in oilfield produced water containing SRB.

Author

Udowo, Victor Malachy, Yan, Maocheng, Liu, Fuchun, and Ikeuba, Alexander I.

Subjects
PIPELINE corrosion, OIL field brines, WATER pipelines, STEEL corrosion, SULFATE-reducing bacteria, OXIDES, SURFACE analysis
Abstract

The corrosion behavior of C20 pipeline steel was studied under Fe oxide and sand deposits in oilfield produced water containing sulfate‐reducing bacteria (SRB) via electrochemical techniques and surface analyses. A galvanic current of about 2 μAcm−2 was detected when the Fe oxide deposited sample and the bare steel were coupled in zero resistance ammeter (ZRA) mode, with the former being the anodic member of the couple. The Fe oxide deposited steel recorded severe localized corrosion after 14 days of testing in the SRB inoculated oilfield produced water. Corrosion severity decreased on the sand‐deposited steel, with general corrosion as the dominant morphology of surface attack. The development of product film was a vital factor in steel corrosion under the Fe oxide deposit. [ABSTRACT FROM AUTHOR]

Published
2024
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49. Handling heat‐stable salts in post‐combustion CO2 capture: A detailed survey.

Author

Emori, Wilfred, Udoh, Inime I., Ekerenam, Okpo O., Ikeuba, Alexander I., Etim, IniIbehe N., Njoku, Chigoziri N., Daniel, Enobong F., Njoku, Demian I., Uzoma, Paul C., Kolawole, Sharafadeen K., and Olanrele, Olajire S.

Subjects
CARBON sequestration, ION exchange (Chemistry), CHEMICAL industry, SALT, DISTILLATION, RESEARCH personnel, SOLVENT extraction, ELECTRODIALYSIS
Abstract

The generation of heat‐stable salts (HSSs) in alkanolamine solutions for CO2 capture processes, which is adapted for power plant technologies, exists irrespective of the class of amine solution used for the capture process. Their presence do not only trigger decrements in the CO2 absorption capacities of the solvents and contribute to further alkanolamine degradation, but also result in foaming and loss of solvents, which impacts system economics and threatens the environment. HSSs also promote the corrosiveness of the metallic structures of capture systems by lowering the pH and increasing the conductivity of the absorbent solutions. Overall, these effects substantially subvert the reliability and integrity of CO2 capture units. This survey affords sufficient background on the existence of HSSs by unraveling the flow process in a typical alkanolamine‐based CO2 capture unit with respect to their formation points and potential threats. Furthermore, the major HSSs removal and alkanolamine reclamation methodologies (electrodialysis, distillation, ion exchange, electromagnetic separation, and solvent extraction) were comprehensively explored. We believe that this review paper will benefit researchers across disciplines as we continue to explore new and complex solvent formulations to minimize the cost of CO2 capture while maximizing efficiency. © 2023 Society of Chemical Industry and John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Published
2023
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50. Modeling of Dipeptide Sulfonamides as Anti-PlasmodialDrugs: Synthesis, Characterization, DFT and In Silico Studies

Author

Ekoh, Ogechi C., Timothy, Rawlings A., Asogwa, Fredrick C., Gber, Terkumbur E., Ikeuba, Alexander I., Ugwu, David I., and Louis, Hitler

Abstract

Protein–ligand interactions play a pivotal role in the design of structurally based drugs. In this study, we sought to identify potential candidates for malaria treatment by investigating their interactions with receptor proteins 7k76, 5tbo, and 7jum. Using a computational approach at the DFT/B3LYP/6-311++G(d,p) level of theory, we determined interaction energy values. Compound A, docked with receptor 7k76, exhibited − 5.8 kcal/mol, compared to the commercial drug's − 6.5 kcal/mol. Compound B showed an impressive − 9.0 kcal/mol with receptor 5tbo, surpassing the commercial drug's − 6.8 kcal/mol. Compound C, docking with receptor 7jum, displayed − 6.9 kcal/mol, while the commercial drug had − 9.3 kcal/mol for the same receptor. Compounds B show promise as malaria drugs, with higher binding energies than the commercial drug. Among the proposed drugs, compound B is highly recommended for antimalarial treatment due to its exceptional binding affinity and strong receptor interaction. Of all the proposed drugs, compound B stands out as a highly recommended candidate for antimalarial treatment due to its exceptional binding affinity and strong interaction with the receptor. Moreover, the optimized compounds exhibited varying reactivity levels, with compound C showing the highest reactivity at 2.8575 eV, followed by compound B at 4.8578 eV and compound A at 5.3960 eV. This indicates the superior reactivity of compound C compared to its counterparts. Significant transitions, including π* → π*, π → π*, σ → σ*, σ* → σ*, LP → σ, and LP → π*, were observed, with higher perturbation E(2) energies. Future research should explore the ADME/T properties of these compounds through laboratory testing, paving the way for potential clinical trials. These investigations will provide crucial insights into the suitability and efficacy of these compounds as potential antimalarial drugs, offering promising avenues for effective malaria treatment.

Published
2024
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