Programme: Industrial Chemistry

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Here you will find works strictly related to Industrial Chemistry.

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    SYNTHESIS OF Cu–Mn–S TERNARY METAL CHALCOGENIDE QUANTUM DOTS AS POTENTIAL HIGH-PERFORMANCE OPTICAL NANOSENSORS
    (Covenant University, Ota, 2026-07) LASISI, Bolatito Lateefat; Covenant University, Dissertation
    The detection of environmentally relevant pollutants and biomedical biomarkers by traditional analytical techniques is often time-consuming, invasive, and insufficiently sensitive, underscoring the need for advanced optical nanosensor materials. In this study, the synthesis and characterisation of ternary metal chalcogenide quantum dots (TMC-QDs) of Cu-Mn-S were carried out as candidate materials for advanced optical nanosensors in environmental and biomedical applications. Eight Cu-Mn-S QDs (TMC-1 to TMC-8) were successfully synthesised via the modified solvothermal method. CuCl2, Mn(CH3COO)2, and thiourea were employed as precursors and sulfur source, respectively, in a 1:1 deionised water/ethylene glycol solvent, with two stoichiometries (CuMn2S2 and CuMn1.7S2), three varied temperatures (180 to 190 °C), and two reaction times (10 and 12 hrs). The synthesised QDs were characterised. The UV-Vis absorption measurements revealed a controllable wavelength range from 205 nm to 556 nm and visible-region excitonic absorption, indicating the optical activity of the CuS sub-phase in the samples at low temperatures. The XRD pattern of the resultant particles showed crystalline QDs with particle sizes ranging from 14.97 to 16.19 nm. The product is found to be of a single hexagonal CuS covellite phase except for TMC-6 and TMC-7, which are binary composites of hexagonal CuS covellite and cubic MnS alabandite. FTIR confirmed the presence of both phases, with CuS and MnS stretching. Thus, this work established, for the first time, the synthesis of ternary metal chalcogenide Cu-Mn-S QDs with controlled structural and optical properties. The ternary system conditions for phase segregation of a dual CuS covellite and α-MnS alabandite composite were also found to depend on reaction temperature and time, rather than just the stoichiometric ratio.
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    VIRTUAL SCREENING OF PHTHALIMIDE-BASED INHIBITORS TO OVERCOME PROSTATE CANCER RESISTANT DRUGS
    (Covenant University, Ota, 2026-07) Ojo, Abigail Victory; Covenant University Dissertation
    Despite the successes of traditional androgen-deprivation therapy, the emergence of therapeutic resistance has become one of the main hurdles to PC management, and efforts have been made to develop novel molecules that inhibit the activity of persistent AR pathways. The aim of this work is to use a comprehensive in silico virtual screening approach to identify and assess phthalimide derivatives as potential inhibitors of the mutated androgen receptor protein (PDB ID: 1GS4). To find drug-like molecules, the initial library of 1508 phthalimide derivatives was retrieved from the PubChem database and structurally filtered using Lipinski's Rule of Five and an e-pharmacophore hypothesis phase module (Schrodinger) to remove non-drug-like molecules, resulting in 54 molecules. Using the high-throughput, extra-precision molecular docking and Molecular Mechanics-Generalized Born Surface Area free energy calculations, 13 compounds with binding affinities better than the clinical standard (Bicalutamide) were identified. Of these, 5-(1,3-dioxoisoindol-4-yl)-pentanenitrile was selected as the initial lead owing to its ADMET and excellent electronic properties, as determined by DFT calculations. The lead structure was then optimized to address toxicological issues associated with the CN and CO groups, yielding six new structural analogues of the lead compound. The best thermodynamic stability and binding were observed for Lead Analog A (4-heptyl-3-methoxyisoindolin-1-one), with a docking score of −10.742 kcal/mol. Critical pharmacokinetic profiling and toxicity studies demonstrated that this next-generation derivative not only has a greatly diminished risk of hepatotoxicity and mutagenic potential, but also exhibits high membrane permeability and blood-brain barrier penetration. Altogether, these computational results support a synergy between the optimized phthalimide scaffold and its observed potency, revealing a viable targeted therapeutic for prostate cancer that can overcome resistance.
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    IN SILICO IDENTIFICATION OF POTENTIAL Plasmodium falciparum ACETYL-COA SYNTHETASE (PfACS) INHIBITORS USING DRUG REPURPOSING APPROACH
    (Covenant University, Ota, 2026-06) Akinwale, Oluwapelumi Lois; Covenant University Dissertation
    The persistent rise in malaria-related deaths among children and pregnant women underscores the ongoing global health challenge posed by this disease. Although preventive activities and first-line treatment options (which include artemisinin-based combination therapies) have been extensively used, the swift development of drug-resistant Plasmodium falciparum isolates has left malaria control efforts severely impaired. Drug repurposing provides an economical alternative to traditional drug discovery approaches by uncovering novel therapeutic uses for existing drugs with well-characterized safety profiles. This study focuses on Plasmodium falciparum acetyl-CoA synthetase (PfACS), an essential enzyme involved in acetate metabolism and histone acetylation, as a potential antimalarial drug target. Its structural divergence from human isoforms increases its likelihood of selective inhibition, with the lowest potential to induce toxicity in the host. A multistage computational drug repurposing workflow was employed to identify FDA-approved inhibitors of PfACS. Structural analysis identified the crystal structure of Coccidioides immitis acetyl-CoA synthetase (PDB: 7KQ6) as the most suitable template for PfACS modeling. The AlphaFold2-predicted PfACS structure was also validated. A library of 12,718 DrugBank compounds was sequentially selected using Lipinski’s Rule of Five and the Ersilia eos80ch machine-learning antiplasmodial activity model, yielding a dataset of 377 biologically enriched compounds. Molecular docking, binding free-energy estimation (MM/GBSA), pharmacophoric interaction analysis, and density functional theory (DFT) calculations and Molecular Dynamics (MD) Simulation were subsequently performed. Four lead compounds (Hit 01–04) demonstrated favorable binding affinity, interaction similarity with the reference inhibitor MMV693183, and supportive electronic reactivity profiles, with promising potential as PfACS inhibitors and antimalarial agents.
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    COMBUSTION PERFORMANCE OF PALM KERNEL SHELL BIOCHAR BRIQUETTE MODIFIED WITH ACID-LEACHED NEEM LEAF ASH
    (Covenant University, Ota, 2026) ADEYEYE, PEACE IFEOLUWA; Covenant University, Dissertation
    Wood fuel contributes significantly to air pollution and deforestation. Agro-waste briquetting as solid fuel has emerged to reduce the burden on forest resources, but its adoption is hindered by poor combustion performance and high pollutant emissions. This study developed biomass briquettes from Palm Kernel Shell (PKS) biochar modified with Acid-Leached Neem Leaf Ash (ALNLA) and rendered beef tallow. This is to target improved combustion efficiency and reduced harmful emissions, for household cookstove applications. Neem leaves were calcined at 750°C and then leached with 2M HCl at 45°C for 2 hours, thereby achieving a leachability percentage of 91.24% and producing a silica-enriched residue (SiO₂ = 57.86 wt%; Fe₂O₃ = 8.20 wt%; CaO = 7.52 wt%). PKS biochar was produced by slow pyrolysis at 550°C. Six briquette formulations (B1–B6) were prepared and characterized using XRF, FT-IR, XRD, TGA, and proximate analysis. Water boiling test (WBT), and measurement of burn duration, combustion temperature and some Toxic Air Pollutants (TAP) (CO, SO₂, NO₂ and particulate matter) emission, heating value and fixed carbon, were carried out. All formulations outperformed commercial charcoal in burn duration by factors of 1.97 – 4.02%. Formulation B6 (90% biochar, 1.0% ALNLA, 10% starch) achieved the longest burn duration (378 minutes), highest combustion temperature (1109°C), and lowest stabilized TAP emissions. Formulation B5 recorded the highest estimated higher heating value (5.78 MJ/kg) and fixed carbon (15.59%). These results demonstrate the viability of acid-leached neem leaf ash as a low-cost, waste-derived modifier for producing cleaner-burning briquettes suited to Sub-Saharan African household energy needs.
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    Whole-exome sequencing of Nigerian benign prostatic hyperplasia reveals increased alterations in apoptotic pathways
    (The Prostate April 2024 Vol 84 No. 5, 2024-01-04) Kaninjing, Ernest T.; Adeniji, Kayode A.; Jibrin, Paul; Obafunwa, John O.; Path, FMC; Path, FRC; Ogo, Chidiebere N.; Mohammed, Faruk; Popoola, Ademola; Fatiregun, Omolara A.; Oluwole, Olabode P.; Thorpe, Roland J.; Karanam, Balasubramanyam; Elhussin, Isra; Ambs, Stefan; Tang, Wei; Davis, Melissa; Polak, Paz; Campbell, Moray J.; Brignole, Kathryn R.; Rotimi, Solomon O.; Dean-Colomb, Windy; Odedina, Folake T.; Yates, Clayton
    Background Through whole-exome sequencing of 60 formalin-fixed paraffin-embedded Nigerian (NGRn) benign prostatic hyperplasia (BPH) samples, we identified germline and somatic alterations in apoptotic pathways impacting BPH development and progression. Prostate enlargement is a common occurrence in male aging; however, this enlargement can lead to lower urinary tract symptoms that negatively impact quality of life. This impact is disproportionately present in men of African ancestry. BPH pathophysiology is poorly understood and studies examining non-European populations are lacking. Methods In this study, NGRn BPH, normal prostate, and prostate cancer (PCa) tumor samples were sequenced and compared to characterize genetic alterations in NGRn BPH. Results Two hundred and two nonbenign, ClinVar-annotated germline variants were present in NGRn BPH samples. Six genes [BRCA1 (92%), HSD3B1 (85%), TP53 (37%), PMS2 (23%), BARD1 (20%), and BRCA2 (17%)] were altered in at least 10% of samples; however, compared to NGRn normal and tumor, the frequency of alterations in BPH samples showed no significant differences at the gene or variant level. BRCA2_rs11571831 and TP53_rs1042522 germline alterations had a statistically significant co-occurrence interaction in BPH samples. In at least two BPH samples, 173 genes harbored somatic variants known to be clinically actionable. Three genes (COL18A1, KIF16B, and LRP1) showed a statistically significant (p < 0.05) higher frequency in BPH. NGRn BPH also had five gene pairs (PKD1/KIAA0100, PKHD1/PKD1, DNAH9/LRP1B, NWD1/DCHS2, and TCERG1/LMTK2) with statistically significant co-occurring interactions. Two hundred and seventynine genes contained novel somatic variants in NGRn BPH. Three genes (CABP1, FKBP1C, and RP11-595B24.2) had a statistically significant (p < 0.05) higher alteration frequency in NGRn BPH and three were significantly higher in NGRn tumor (CACNA1A, DMKN, and CACNA2D2). Pairwise Fisher's exact tests showed 14 gene pairs with statistically significant (p < 0.05) interactions and four interactions approaching significance (p < 0.10). Mutational patterns in NGRn BPH were similar to COSMIC (Catalog of Somatic Mutations in Cancer) signatures associated with aging and dysfunctional DNA damage repair. Conclusions NGRn BPH contained significant germline alteration interactions (BRCA2_rs11571831 and TP53_rs1042522) and increased somatic alteration frequencies
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    VAPOUR GENERATION CHEMILUMINESCENCE DETECTION SYSTEM FOR DETERMINATION OF DIMETHYLSULPHONIOPROPIONATE AND DIMETHYLSULPHIDE IN TROPICAL SEAWATER
    (Rasayan J. Chem., 13(1), 44-50(2020), 2020) Adedapo, A. E.; Benson, N. U.; Williams, A. B.,; Toda, K.
    The vapour generation – chemiluminescence (VG-CL) detection system that was designed for this research was used for the measurement of dimethylsulphide (DMS) and its precursor dimethylsulphoniopropionate (DMSP). The present study attempted the development of a highly sensitive, portable and cost-effective detection system based on vapour generation and chemiluminescence for a pilot assessment and determination of DMSP and DMS concentrations in the Gulf of Guinea. The Elegushi Beach and Nigerian Institute of Oceanography and Marine Research (NIOMR) which are parts of the Atlantic Ocean were chosen as designated locations for this study. The average concentrations of DMSP and DMS in the surface seawater at the two locations ranged from 12.4 ± 0.2 to 26.5 ± 0.5 nM, 2.1± 0.0 to 40.9 ± 1.6 nM and 9.7 ± 0.4 to 44.9 ± 0.2 nM, 0 to 35.6 ± 2.3 nM, respectively. This study serves as a baseline measurement of the concentrations of DMS and DMSP in the tropical Atlantic Ocean (Lagos).
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    The Recycling of Sawdust Waste into Particleboard Using Starch- Based Modified Adhesive
    (Communication in Physical Sciences, 6(1), 2020) Umoh, Emmanuel Michael; Sam, Edidiong Sunday
    The challenges associated with the management of wastes from the cassava processing and timber industries necessitated an investigation into the possibility of implementing recycling approach to produced particle board from these wastes. Particleboards were produced from wood saw dust using various compositions of modified starch adhesives. The product obtained were evaluated for density, moisture content, hardness, flexural strength, water absorption and thickness swelling. The results obtained indicated that the density ranged from 753 to 798 kg/m3, moisture content ranged from 14.87 to 16.67 %, hardness ranged from 9.02 to 9.31 N/nm2, flexural strength ranged from 1.31 to 1.45 MPa, water absorption capacity at 24 h ranged from 1.06 to 9.31 %, thickness swelling ranged from 4.55 to 4.78%. The products were in conformity with IS 3087 (2005) and ANSI A 208.1 (1993) standards and could go for medium density particleboard.
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    Stable carbon isotope and n‑alkane distributions in sediment cores from saline and freshwater Gabu lakes, southeast Nigeria: environmental implications
    (Environmental Earth Sciences, 2023) Oyo‑Ita, Inyang O.; Sam, Edidiong S.; Oyo‑Ita, Orok E.; Arnold, Elliott T.; Inyang, David O.; Werne, Josef P.
    Studies on the utilization of molecular and isotopic proxies for the characterization of organic matter (OM) sources and environmental conditions in lakes have been well-documented globally. Nevertheless, inland lacustrine salt basins remain less well-studied, particularly in tropical sub-Saharan Africa. In this study, we quantified OM sources and evaluated the effects of salt deposit and barite mining on the distribution of n -alkanes in saline and freshwater Gabu lakes sediment cores, southeast Nigeria using elemental, bulk carbon isotope ratios and biomarker distributions. Our results indicate a system inundated with comparable proportions of vascular plant leaf waxes (mean = 56.6%) and submerged/floating macrophytes (mean = 41.1%) with minor contribution from algae/photosynthetic bacteria (mean = 2.3%). The scenario indicates a shallow water system that predominantly preserved long chain n-alkanes derived from vascular plant leaf waxes and macrophytes. The capacity of macrophyte to biosynthesize long chain n-alkanes most likely reflects adaptation of these organisms to partial exposure to the atmosphere. The occurrence in moderate abundance of C17 and C19 n-alkanes and the near absence of other low molecular weight (LMW) n-alkanes in the saline lake was linked to the effect of salt stress. The absence of LMW n-alkanes in freshwater lake may be associated with slow barite hydrolysis likely to cause acidification. Our results have demonstrated that long chain n -alkanes of terrestrial and submerged/floating macrophyte origins are better preserved under conditions of low salinity and acidification in inland shallow lakes than those derived from algae/bacteria
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    Natural and anthropogenic biomarkers in recent dated sediment cores from Refome Lake, SE Nigeria: environmental implications
    (Environ Earth Sci, 2016) Oyo-Ita, Orok Esu; Oyo-Ita, Inyang Okon; Sam, Edidiong Sunday; Ikip, Ekpo Offem; Ugim, Ugim Samuel
    Natural and anthropogenic biomarkers characteristics of two recent sediment cores collected toward the shoreline and center of Refome Lake (RS and RC; 30 cm long), southeastern Nigeria, were investigated in order to reconstruct past environmental conditions and asses humans-induced changes on the local ecosystem over the last century. Results from sediment bulk properties such as total organic carbon (TOC; 0.12–0.54%; mean— 0.26 ± 0.9%), total nitrogen (TN; 0.01–0.05%; mean— 0.03 ± 0.7%) and total inorganic carbon (TIC; 0.03–0.37%; mean—0.14 ± 1.0%) contents as well as TOC/TN (5–25; mean—11.55 ± 1.4) suggested slightly higher contribution from allochthonous over autochthonous organic matter (OM), lowered by low primary production and the characteristic Niger Delta sheltered basin morphology predominated by sandy lithology. Evaluation of molecular proxies such as carbon preference index (CPI(C24–C35); 1.23–1.74: mean—1.58 ± 0.4), carbon maxima (Cmax—17, 19, 26, 27, 29), long-chain/short-chain hydrocarbons (LHC/SH-C; 0.77–2.25, mean—1.52 ± 0.3) and Paq, (0.21–0.61, mean–0.45 ± 0.3) as well as C29/C27 (0.89–2.67; mean—1.53 ± 0.2) indicated an admixture slightly predominated by microbial OM (algae/bacteria) in the most recent top layer (RC1, 0–5 cm) of RC core and slightly more enhanced terrestrially derived OM in the middle layer (RS4, 15–20 cm) of RS core. The later sediment layer deposited at ca. 1947–1964 coincided with the period of greater wash-in of land-derived OM (associated with tree logging/forest clearing for foot path extension and farmland preparation authorized by the European settlers) occasioned by intense rainfall. The occurrence of gammacerane and 18a-oleanane in low levels in the lower and upper layers revealed trace contamination by petroleum hydrocarbons imported into the Nigerian economy prior to independence in 1960 and utilization of Niger Delta oil after 1960 following departure of the colonial masters (the British), respectively.
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    Source Characterization and Historical Trend of Sedimentary PAHs from Refome Lake, South–South Nigeria
    (Aquat Geochem, 2017) Oyo-Ita, Inyang O.; Oyo-Ita, Orok E.; Ikip, Ekpo O.; Sam, Edidiong S.; Ugim, Ugim S.
    Polycyclic aromatic hydrocarbons (PAHs) released from diverse sources passing through water column carry information into the sediment where they can be used to assess the environmental status of an ecosystem over specified geologic time frame. The vertical distributions of PAHs in two recent sediment cores (RS and RC, 30 cm long) from Refome Lake, South–South Nigeria,were investigated using gas chromatography–mass spectrometry in order to evaluate their sources and historical trends of deposition over the last ca. century. The total PAHs (TPAHs—sum of parent and retene) concentrations ranged from 66.99 ng/g dry weight (dw) at the middle layer ofRCcore (RC3 10–15 cm) to 182.24 ng/gdwat the near-bottomlayer of RS core (RS5 20–25 cm) with amean of 102.21 ± 24.32 ng/g. The elevated TPAH level at the near-bottom layer of the RS core, corresponding to geologic time-frame ca. 1930–1947, coincided with the period of inhabitation of the European settlers along the lake’s catchments when utilization of coal and/or coal products for domestic/recreational activity was at its peak. A decline in TPAH levels up-cores thereafter reflected the periods of gradual evacuation of inhabitants of the lake area hinterland following the departure of theWhite after the Nigerian independence in 1960. Evaluation of PAH category according to ring size coupled with data from specific molecular ratios revealed inputs dominated by wood/coal combustion with a moderate contribution from petrochemical/liquid fossil fuel exhaust emissions and a minor diagenetic sources. Principal component analysis result not only distinctively separated RS fromRCcore samples but also revealed that the RS samples weremore impacted by wood/coal combustion emissions than the RC, while liquid fossil fuel exhaust emission dominated the RC over the RS samples. Although short-range eolian transport did play a role in the delivery of PAHs to the lake, localization of source contamination was more important.