{"title":"Facile synthesis of novel CoWO <sub>4</sub> /FeWO <sub>4</sub> hetrocomposite with efficient visible light photocatalytic degradation and hydrogen evolution aspects","authors":"Muhammad Munir Sajid, Thamer Alomayri, Haifa Zhai","doi":"10.1080/16583655.2023.2265631","DOIUrl":"https://doi.org/10.1080/16583655.2023.2265631","url":null,"abstract":"Tungstate-based nanomaterials exhibit efficient photocatalytic performance and offer several advantages owing to their electrical and superior optical features, charge transport potentials, and superb corrosion resistance. The objective of the present study is to fabricate cobalt tungstate (CoWO4), Ferric tungstate (FeWO4) and CoWO4/FeWO4 heterojunction composite photocatalysts using a hydrothermal route with various molar concentrations (2:1, 1:1, 1:2, 1:5). The model pollutant Methyl Orange (MO) and Congo Red (CR) azo dyes were degraded 98.26% and 99.61% in 150 min by the as-synthesized CoWO4/FeWO4 at a molar concentration ratio of 1:2. A feasible photodegradation mechanism is purposed and the optimum values for different parameters are also evaluated by considering two different dyes as model organic pollutants. Hydrogen production efficiency reaches up to 36 μmolg−1 h−1 under visible light over 1:2 CoWO4/FeWO4. This work may open new possibilities for the use of CoWO4/FeWO4 composite for potential applications such as the hydrothermal synthesis of composites and their photocatalytic wastewater remedy and as hydrogen evolution applications.","PeriodicalId":17100,"journal":{"name":"Journal of Taibah University for Science","volume":"2012 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135854680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rahul D. Jawarkar, Magdi E. A. Zaki, Sami A. Al-Hussain, Abdullah Yahya Abdullah Alzahrani, Long Chiau Ming, Abdul Samad, Summya Rashid, Suraj Mali, Gehan M. Elossaily
{"title":"Mechanistic QSAR analysis to predict the binding affinity of diverse heterocycles as selective cannabinoid 2 receptor inhibitor","authors":"Rahul D. Jawarkar, Magdi E. A. Zaki, Sami A. Al-Hussain, Abdullah Yahya Abdullah Alzahrani, Long Chiau Ming, Abdul Samad, Summya Rashid, Suraj Mali, Gehan M. Elossaily","doi":"10.1080/16583655.2023.2265104","DOIUrl":"https://doi.org/10.1080/16583655.2023.2265104","url":null,"abstract":"CB2R are fascinating targets for neuropathic pain and mood disorders because of their improved biological characteristics. Experimental data on 1296 cannabinoid-2 receptor inhibitors with different structural properties were used to develop a QSAR model following OECD guidelines. This study selected the best-predicted model (80:20 splitting ratio) with fitting parameters, such as R2:0.78; F:623.6, Internal validation parameters, such as Q2Loo:0.78; CCCcv: 0.87 and external validation parameters, such as R2ext:0.77; Q2F1:0.7730; Q2F2:0.7730; Q2F3:0.76; CCCext:0.87. Following this, another QSAR model was developed by using a 50:50 split ratio for thetraining and the prediction sets, which were then swapped to evaluate the robustness of the built QSAR model by the 50:50 ratio, which also gives a deeper understanding of the chemical space. In addition, we have confirmed the QSAR result with pharmacophore modelling, and supported by molecular docking, MD simulation, MMGBSA and ADME studies. Thus, this work may enable cannabinoid 2 receptor inhibsitor development.","PeriodicalId":17100,"journal":{"name":"Journal of Taibah University for Science","volume":"2 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135146311","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Kothuru Venkatadri, Syed Fazuruddin, Osman Anwar Bég, Obbu Ramesh
{"title":"Natural convection of nanofluid flow in a porous medium in a right-angle trapezoidal enclosure: a Tiwari and Das’ nanofluid model","authors":"Kothuru Venkatadri, Syed Fazuruddin, Osman Anwar Bég, Obbu Ramesh","doi":"10.1080/16583655.2023.2263224","DOIUrl":"https://doi.org/10.1080/16583655.2023.2263224","url":null,"abstract":"The study uses Tiwari and Das’ nanofluid model to present a study on free convective flows in a right-angled trapezoidal cavity that is saturated with a porous bed and filled with Cu-water nanofluid material. This investigation aims to enhance the characteristics of hybrid fuel cells and energy depository devices by analysing the cavity's heat expansion and fluid flow properties. In trapezoidal enclosures, the inclined and right wall portions are maintained at different isothermal temperatures at all times. Finite difference-based stream function-vorticity numerical simulations are employed to carry out this analysis. The outcomes have been presented for isotherms, streamlines, and Nusselt numbers concerning nanoparticle volume fraction, Darcy number, and various Rayleigh numbers. It is found that the inverse relationship between the thermal Rayleigh number and the nanofluid’s volume has a significant impact on the average Nusselt number.","PeriodicalId":17100,"journal":{"name":"Journal of Taibah University for Science","volume":"19 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135590936","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Muhammad Muzammal, Sana Fatima, Aisha Gul, Junaid Qayum, Arshad Farid, Safeer Ahmad, Wasim Shah, Muzammil Ahmad Khan
{"title":"Computational analyses of <i>RPIA</i> gene mutation causing Ribose-5-phosphate isomerase deficiency: a rarest known metabolic disorder in humans","authors":"Muhammad Muzammal, Sana Fatima, Aisha Gul, Junaid Qayum, Arshad Farid, Safeer Ahmad, Wasim Shah, Muzammil Ahmad Khan","doi":"10.1080/16583655.2023.2262753","DOIUrl":"https://doi.org/10.1080/16583655.2023.2262753","url":null,"abstract":"The main aim of current study was to perform in silico functional analysis of all reported RPIA mutations. In silico analysis was done using different tools i.e. trRosetta tool, Autodock Vina, PatchDock and iMODS. Among all the reported mutations, lowest percentage identity of 4.69% with wild-type protein was shown by splice site mutation, while highest percentage identity of 78.78%, was shown by p.Ser61Val mutation. In protein-substrate docking, wild-type protein was docking with substrate with 11 different bonds. However in case of mutant protein highest interaction with substrate molecule was shown by mutant p.Ile257Thr proteins via 13 different bonds, while lowest interaction was noted in mutant p.Asn255Ilefs17Term protein via 5 bonds. From the results, it was concluded that the binding of RPIA with ribose 5-phosphate is altered by the type of amino acid substitution, as well as the nature and number of bonds, which are capable to influence its biological activity.","PeriodicalId":17100,"journal":{"name":"Journal of Taibah University for Science","volume":"47 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135193117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A numerical approach to solve hyperbolic telegraph equations via Pell–Lucas polynomials","authors":"Şuayip Yüzbaşı, Gamze Yıldırım","doi":"10.1080/16583655.2023.2255404","DOIUrl":"https://doi.org/10.1080/16583655.2023.2255404","url":null,"abstract":"In this article, a collocation approximation is investigated for approximate solutions of hyperbolic telegraph partial differential equations (HTPDEs). The method is based on evenly spaced collocation points and Pell–Lucas polynomials (PLPs). The form of solution, derivatives of unknown function in equation and conditions are expressed in matrix forms which depend on PLMs. By the help of these matrix forms and collocation points, problem is reduced to a system of linear algebraic equations. In addition, error analysis is performed for method. Thus, errors are bound by an upper bound. By making the applications of these techniques, the computed outcomes are offered in tables and graphs. Also the obtained outcomes by method are also compared with outcomes of other methods in the literature. These comparisons show that our method is more influential than other methods. All results have been computed by the aid of a code generated in MATLAB.","PeriodicalId":17100,"journal":{"name":"Journal of Taibah University for Science","volume":"24 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136307892","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. Sumithra, B. Rushi Kumar, R. Sivaraj, Hakan F. Öztop
{"title":"Thermal analysis of magnetic Iron-Oxide nanoparticle with combination of Water and Ethylene Glycol passes through a partially heated permeable square enclosure","authors":"A. Sumithra, B. Rushi Kumar, R. Sivaraj, Hakan F. Öztop","doi":"10.1080/16583655.2023.2257366","DOIUrl":"https://doi.org/10.1080/16583655.2023.2257366","url":null,"abstract":"The research explores the use of iron oxide nanoparticles to enhance the thermal properties of fluids like water and ethylene glycol. These nanoparticles find applications in engineering and medicine, including wastewater treatment and coatings. The study investigates magnetic nanoparticle movement in a permeable enclosure, considering heat, magnetic field, and electromagnetic effects. Using the MAC method, dimensionless equations were solved, and results were presented through graphs, charts, and tables. Findings show nanoparticle volume significantly impacts heat transfer in nanofluids compared to base fluids. Increasing nanoparticle volume from 0 to 0.05 improved nanofluid heat transfer by 0.278% and base fluid by 0.303%. Heat absorption and generation improved nanofluid transfer by 15.819% and base fluid by 0.596%. Nusselt number increased with higher Eckert number and heat source/sink parameters in both nanofluids and base fluids.","PeriodicalId":17100,"journal":{"name":"Journal of Taibah University for Science","volume":"14 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135107259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wei Mun Cheong, Mohd Hafiz Mohd Zaid, Khamirul Amin Matori, Yap Wing Fen, Tan Sin Tee, Zhi Wei Loh, Mohd Zul Hilmi Mayzan
{"title":"Promising reddish-orange light as Eu <sup>3+</sup> incorporated in zinc-borosilicate glass derived from the waste glass bottle","authors":"Wei Mun Cheong, Mohd Hafiz Mohd Zaid, Khamirul Amin Matori, Yap Wing Fen, Tan Sin Tee, Zhi Wei Loh, Mohd Zul Hilmi Mayzan","doi":"10.1080/16583655.2023.2260080","DOIUrl":"https://doi.org/10.1080/16583655.2023.2260080","url":null,"abstract":"Eu3+ incorporated zinc-borosilicate glass was synthesized using melt-quenching method. XRD and FTIR verified the amorphous nature of the samples. The absorption spectra indicate the Eu3+ ions in the UV-visible region at ∼394 nm. The direct and indirect band gap decrease from 5.152 eV to 5.082 eV and 4.133 eV to 3.837 eV, respectively. Meanwhile, the refractive index decrease from 2.145 to 2.202, while the Urbach energy ranges from 0.682 eV to 0.733 eV. All the samples have a good transmission percentage at 70–75%. Under the excitation of 400 nm, the intensity of the PL spectra increased when the Eu3+ dopant increased. The optimum content for Eu3+ incorporated ZnO–B2O3–GB glass is 3 wt.% among the other Eu3+ content (0, 1, and 2 wt.%) in this work. The reddish-orange emission at 612 nm (5D0 → 7F2) indicates the most intense emission and the CIE chromaticity coordinates imply in the reddish-orange region.","PeriodicalId":17100,"journal":{"name":"Journal of Taibah University for Science","volume":"26 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135107635","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Ecofriendly analytical quality by design-based method for determining Metronidazole, Lidocaine and Miconazole using RP-HPLC in semisolid dosage form","authors":"Viswanathan Sukumar, Hemanth Kumar Chanduluru, Saravanan Chinnusamy","doi":"10.1080/16583655.2023.2252593","DOIUrl":"https://doi.org/10.1080/16583655.2023.2252593","url":null,"abstract":"The article deals with the development of an analytical method based on AQbD and GAC for the simultaneous determination of Metronidazole (MET), Lidocaine (LID) and Miconazole (MIC) in oval dosage form using RP-HPLC. The separation was achieved on the stationary phase Zorbax C18 150 mm × 4.6 mm (i.d); 5 μm, using a gradient mobile phase containing Ethanol and Phosphate buffers. The linearity has been obtained for MET's 240-390 μg/mL, 32-52 μg/mL for LID and 64-104 μg/mL for MIC, with their LOD and LOQ as 31.25, 94.705 μg/mL (MIC) 1.463, 4.433 μg/mL (LID) and 7.981, 24.187 μg/mL for MIC, respectively. Finally, the method assessed for greenness using the three tools showed that the developed method was eco-friendly. The developed method is simple and reliable with a design space that helps for further improvement and is eco-friendly, making this method unique for adoption in regular quality control analysis.","PeriodicalId":17100,"journal":{"name":"Journal of Taibah University for Science","volume":"36 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134989793","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Phytochemical studies on Arecaceae growing in Al-Madinah Al-Munawarah, Saudi Arabia","authors":"Meaad F. Alaida, Amal Y. Aldhebiani","doi":"10.1080/16583655.2023.2254908","DOIUrl":"https://doi.org/10.1080/16583655.2023.2254908","url":null,"abstract":"Arecaceae belongs to monocotyledons with around 217 genera. In Saudi Arabia, two genera of Arecaceae are recorded, namely, Hyphaena and Phoenix. Al-Madinah Al-Munawarah is an important region in the western part of Saudi Arabia. This study aimed to investigate the significance of phytochemical traits in Arecaceae plants growing in the region of Al-Madinah Al-Munawarah. Plant specimens were collected in September 2021 from the Al-Madinah Al-Munawarah region. Leaves and fruit samples were screened using standard techniques for the presence of phytochemical groups. For the estimation of antioxidants, extracts were obtained from leaves and the concentration of phenolics and flavonoids was determined by LC-DAD at 335 nm and characterized by LTQ-XL linear Ion Trap LC-MS. In statistical analyses, all data obtained from phytochemical investigations were transferred to numerical characters and used in the multivariate statistical package (MVSP). In phytochemical screening, the phytochemical groups of leaves were useful to differentiate between cultivars of date palms. The presence or absence of tannin and saponin in fruits was useful to distinguish between Ph. dactylifera and H. thebaica. The leaves of Ph. dactylifera cultivars and H. thebaica contained flavonoid compounds with different concentrations. The leaves of Phoenix dactylifera cultivars and Hyphaena thebaica can be a valuable source of natural antioxidants and protect against several diseases because of the abundance of flavonoids. The high concentration of phenolics and flavonoids among date palm cultivars was in Altaibat (5.88 mg/g) while the lowest concentration was found in Safawi (1.54 mg/g). The concentration of phenolics and flavonoids in H. thebaica was 5.02 mg/g.","PeriodicalId":17100,"journal":{"name":"Journal of Taibah University for Science","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135937790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hazim M Ali, I. Alsohaimi, Mohammad Rizwan Khan, Ibrahim A. Naguib, Rosa Busquets, P. Alam, Bayan E Ainousah, Mohammed Gamal
{"title":"Selective and sensitive GC-MS analysis of carcinogenic N-nitrosodimethylamine in pharmaceuticals using a magnetic coconut carbon composite as a solid-phase extraction sorbent","authors":"Hazim M Ali, I. Alsohaimi, Mohammad Rizwan Khan, Ibrahim A. Naguib, Rosa Busquets, P. Alam, Bayan E Ainousah, Mohammed Gamal","doi":"10.1080/16583655.2023.2254352","DOIUrl":"https://doi.org/10.1080/16583655.2023.2254352","url":null,"abstract":"The aim of the present research was to develop a magnetic coconut carbon composite (Fe2O3/Fe3O4@CNC) as a solid-phase extraction (SPE) sorbent for the analysis of carcinogenic N-nitrosodimethylamine (NDMA) in pharmaceuticals. Coconut composites modified with Fe2O3 and Fe3O4 were prepared and applied as SPE sorbent for the extraction of NDMA in pharmaceuticals. The sorbent was characterized with X-Ray, infrared spectroscopy and nitrogen porosimetry. The best ions for the Gas Chromatography-Mass Spectrometry with Selected Ion Monitoring (GC-MS/SIM) analysis were m/z 74 and 42 for NDMA, and m/z 80 and 46 for NDMA-d6 internal standard. System has offered great method performance in terms of sensitivity limit of quantitation (LOQ) 16 ng kg−1. The developed sorbent has enhanced the sensitivity and speed of analysis. The developed method was applied to authenticate the presence of NDMA in various pharmaceutical samples. Among the analyzed samples, NDMA impurities were relatively identified at high amounts in nizatidine samples. Highlights NDMA was verified in ranitidine, metformin and nizatidine Fe2O3/Fe3O4@CNC composite was used for NDMA identification without pretreatment SPE sorbent enhance sensitivity, reduce analysis time, sustain accuracy & precision High level of NDMA impurity were found in nizatidine pharmaceuticals. GRAPHICAL ABSTRACT","PeriodicalId":17100,"journal":{"name":"Journal of Taibah University for Science","volume":" ","pages":""},"PeriodicalIF":3.3,"publicationDate":"2023-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46283547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}