Iranian Journal of Science and Technology, Transactions A: Science最新文献

{"title":"Moire Structures in Graphene on Cu (111) Substrate: Computer Simulation","authors":"Sergey V. Belim,&nbsp;Ilya V. Tikhomirov","doi":"10.1007/s40995-024-01674-0","DOIUrl":"10.1007/s40995-024-01674-0","url":null,"abstract":"<div><p>The article focuses on computer simulations of moire patterns in graphene film on a copper substrate. The surface potential simulates the influence of the substrate on the graphene film. The substrate potential is calculated from the Lennard-Jones paired potential. The interaction between carbon atoms is also determined by the Lennard-Jones potential. It is shown that for two-dimensional structures the parameters of the pair potential differ from the three-dimensional analogue. The simulation results in moire structures in the graphene film. We perform calculations for different orientation angles of graphene relative to the crystal lattice Cu(111). The moire superlattice period decreases with increasing angle between the bond directions of the graphene atoms and the main crystal lattice directions of the substrate. The results of the calculations are in good agreement with the experimental data.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"48 5","pages":"1365 - 1372"},"PeriodicalIF":1.4,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141870609","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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":"Design, Synthesis, and Toxicity Evaluation of the Green Synthesized Oxaliplatin Nanoparticles Using Ginger Extract against Colorectal Cancer Cells","authors":"Ilnaz Tork Cherik,&nbsp;Adeleh Divsalar,&nbsp;Seyed Abdolhamid Angaji","doi":"10.1007/s40995-024-01678-w","DOIUrl":"10.1007/s40995-024-01678-w","url":null,"abstract":"<div><p>Colorectal cancer (CRC) ranks third in malignant tumor mortality worldwide. Oxaliplatin, a third-generation chemotherapeutic drug, treats several malignancies, including colorectal cancer, after cisplatin and carboplatin. However, reducing side effects and optimizing efficacy is challenging. The utilization of plant-assisted green synthesis for the production of nanoparticles is a cost-effective and environmentally sustainable approach. This method could be at the forefront of chemotherapy due to its simplicity and efficiency. The ginger extract has been well-introduced with anti-cancer and antioxidant properties. The present study involved the green synthesis and characterization of oxaliplatin nanoparticles (OxPt NPs) through dynamic light scattering (DLS), Fourier transform infrared spectroscopy (FTIR), inductively coupled plasma spectroscopy (ICP), field emission scanning electron microscopy (FESEM), and atomic force microscopy (AFM). This study investigated the effectiveness of OxPt NPs, ginger extract, and conventional oxaliplatin (first-line drug of CRC) on the HCT116 colorectal cancer cell line through MTT assay comparatively. The findings exhibited an outstanding efficiency of 72% in the synthesis process of OxPt nanoparticles and their subsequent encapsulation utilizing ginger extract. The nanoparticles demonstrated a size distribution within the 50–110 nm range and exhibited remarkable stability in colloidal form. The MTT assay results indicate that the OxPt NPs showed a favorable cytotoxic effect on colorectal cancer cells, as evidenced by an IC₅₀ value of 7.08 µM. Furthermore, flow cytometry data show that the nanoparticles primarily induced apoptosis as the mechanism of cell death rather than necrosis. The findings indicate that the synthesized OxPt NPs can be a new and efficient medication for addressing CRC. Overall, the present investigation showcases the efficacious amalgamation and delineation of OxPt nanoparticles, exhibiting their potential cytotoxic impacts on colorectal cancer cells.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"48 6","pages":"1411 - 1423"},"PeriodicalIF":1.4,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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":"Empirical Likelihood Inference of the Buckley–James Estimator with Length-Biased Data","authors":"Narjes Amiri,&nbsp;Vahid Fakoor,&nbsp;Majid Sarmad,&nbsp;Mahboubeh Akbari","doi":"10.1007/s40995-024-01668-y","DOIUrl":"10.1007/s40995-024-01668-y","url":null,"abstract":"<div><p>A problem that statisticians frequently face is the analysis of survival data obtained from a non-random sampling procedure. When each subject can be selected with a chance proportional to its measure, the bias imposed on the sample is called length bias. This paper uses empirical likelihood to construct confidence intervals for the regression coefficients using a Buckley–James type estimator when the underlying sample is length-biased. For this purpose, the empirical log-likelihood ratio is derived, and its asymptotic distribution is shown to be a standard chi-square. A simulation study is carried out to compare the confidence intervals based on the empirical likelihood and those based on the normal approximation. Following this, it is revealed that the empirical likelihood method improves the performance of the confidence intervals, specifically for small sample sizes. Finally, the methods are illustrated by modeling the regression parameter and estimating confidence intervals for a set of real data.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"48 5","pages":"1329 - 1339"},"PeriodicalIF":1.4,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778852","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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":"One-Pot Synthesis of Pyrido[2,3-d]pyrimidines and 1,2,4-Triazolo[4,3−a]pyrimidines Using a Tropine-Based Dicationic Molten Salt as an Active Catalyst","authors":"Janan Metghalchi Langroudi,&nbsp;Masoumeh Mazloumi,&nbsp;Farhad Shirini,&nbsp;Hassan Tajik","doi":"10.1007/s40995-024-01685-x","DOIUrl":"10.1007/s40995-024-01685-x","url":null,"abstract":"<div><p>In this research, an environmentally friendly, effective method is documented for the synthesis of pyrido[2,3-<i>d</i>]pyrimidine and 1,2,4-triazolo[4,3-<i>a</i>]pyrimidine derivatives using an affordable and facile-prepared dicationic molten salt based on Tropine. The aforementioned pyrimidine derivatives have found remarkable pharmacological and therapeutic roles. under the influence of this catalyst formulated as [(Tropine)₂C₃H₅OH].2Cl, the products are obtained during 50 to 120 and 15 to 70 min for both reactions respectively, along with high yields from 90 to 98% which was measured through chromatography method, under solvent-free conditions or in EtOH as a green solvent. Also, the catalyst can be easily recovered and reused at least for three times.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"48 5","pages":"1149 - 1159"},"PeriodicalIF":1.4,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141785525","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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":"Enhancement of Non-Enzymatic Antioxidant Compounds and Expression of Rosmarinic Acid Biosynthesis-Related Genes in Melissa officinalis Using Cyanobacteria","authors":"Narges Moradi,&nbsp;Seyedeh Batool Hassani,&nbsp;Majid Ghorbani Nohooji,&nbsp;Hossein Riahi,&nbsp;Zeinab Shariatmadari","doi":"10.1007/s40995-024-01675-z","DOIUrl":"10.1007/s40995-024-01675-z","url":null,"abstract":"<div><p><i>Melissa officinalis</i> L. (Lemon balm) is a medicinal plant rich in phenolic compounds, possessing numerous health benefits. To enhance the plant’s medicinal properties and antioxidant activity, this study investigated the effect of two species of <i>Nostoc</i>, as nitrogen-fixing cyanobacteria, on the growth and phytochemical responses of <i>M. officinalis</i>. Also, several metabolites content including total phenol, total flavonoid, and rosmarinic acid (RA) were assessed. Additionally, alterations in the expression of RA biosynthesis-related genes, such as Rosmarinic acid synthase (<i>RAS</i>), Phenylalanine ammonia lyase (<i>PAL</i>), and Tyrosine amino transferase (<i>TAT</i>), were examined quantitatively. Pot cultivation was performed in a randomized complete block design in a greenhouse, with the treated plants irrigated with cyanobacterial suspensions at 21-day intervals for 84 days. The results demonstrated that cyanobacterial-treated plants exhibited significant improvements in root and shoot length, fresh and dry weights, leaf number, and ramification compared to the control. Additionally, there was a significant increase in the levels of hydrogen peroxide (H₂O₂), malondialdehyde (MDA), and proline content in treated plants, indicating an induction of oxidative stress and potential activation of antioxidant pathways. Moreover, cyanobacterial treatment significantly increased the content of total phenols and total flavonoids, as well as rosmarinic acid (RA). Also, cyanobacterial-treated plants exhibited higher expression levels of <i>PAL</i> and <i>RAS</i> genes compared to the control, suggesting an enhancement in the production of RA. In conclusion, the application of cyanobacterial elicitors positively influenced the growth and phytochemical responses of <i>M. officinalis</i>, leading to higher RA content and increased levels of antioxidants. This research highlights the potential of cyanobacterial bioelicitors as a cost-effective and sustainable approach to improve the medicinal quality and antioxidant activity of medicinal plants.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div><div><p>The effects of cyanobacteria, <i>Nostoc</i> spp., on total flavonoid and rosmarinic acid (RA) content, and expression levels of some RA biosynthesis-related genes in <i>Melissa officinalis</i> L., RAS: rosmarinic acid synthase, PAL: phenyl alanine ammonia lyase, TAT: tyrosine amino transferase</p></div></div></figure></div></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"48 5","pages":"1099 - 1111"},"PeriodicalIF":1.4,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778849","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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":"The Astrophysical S Factor of the p + 7Be Radiative Capture Reaction","authors":"L. Asgari,&nbsp;H. Sadeghi","doi":"10.1007/s40995-024-01669-x","DOIUrl":"10.1007/s40995-024-01669-x","url":null,"abstract":"<div><p>One of the key nuclear processes for heavy element creation in stellar and primordial nucleosyntheses is the ⁷Be (p,<span>(gamma ))</span> ⁸B radiative capture reaction. At very low energies, Effective Field Theory (EFT) provides a model-independent framework for describing physical observables. At the energy range studied, we calculated the S-factor for the E1 transition of the p + ⁷Be Radiative Capture Reaction (0–0.5 MeV). The leading M1 contribution is relevant at energies 600 keV around the <span>({1}^{+})</span> resonance, although it is negligible. In comparison to other experimental and theoretical investigations, the astrophysical S factor values extrapolated to zero energy are determined to be S₁₇ (0) = 20.90 eV.b and S₁₇*(0) = 21.13 eV.b for EFT and EFT*, respectively.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"48 5","pages":"1341 - 1350"},"PeriodicalIF":1.4,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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":"Biodegradation of Benzopyrene Molecule Using a Recombinant Laccase from Bacillus Subtilis as a Promising Candidate for Dye-Contaminated Environment","authors":"Bahareh Sargazi,&nbsp;Aliakbar Haddad-Mashadrizeh,&nbsp;Mansoor Mashreghi,&nbsp;Nematollah Razmi","doi":"10.1007/s40995-024-01676-y","DOIUrl":"10.1007/s40995-024-01676-y","url":null,"abstract":"<div><p>Environmental remediation through biological methods is one of the main concerns of nations today. Benzopyrene (BP) is the main component of polycyclic aromatic hydrocarbons, and has been frequently found in the air, surface water, soil, and sediments. BP is resistant to remediation because of their low water solubility. Laccases are one of the best materials that could be employed for degradation of BP. Bacterial laccases are a high thermostable enzyme that can endure a vast range of pH; however, due to their low redox potential and activity, they have not been studied thoroughly. In this work, site specific mutation at a site near the Cu1, which is the primary electron acceptor in laccase-catalyzed oxidation, was applied to a laccase from <i>Bacillus subtilis</i> to increase laccase activity. The mutated gene cotA laccase was cloned in pET22b(+) plasmid and transformed in expression host <i>Escherichia coli</i> BL21 (DE3). The recombinant protein was produced under optimum induction (37 °C), purified and then analyzed through SDS-PAGE method. Enzyme activity was analyzed by specific laccase substrate (ABTS). further analysis was done for enzyme properties in different temperature, pH, and salt concentration. The results showed that the recombinant enzyme had a higher activity than native enzyme in the same condition. Determining biological degradation characteristics of BP using the recombinant laccase indicated that the recombinant laccase was more stable in different conditions and had a high enzyme potential. The functionality assays of these enzymes imply that the mutant-type is more potent given its affinity with the benzo[a]pyrene as the corresponding ligand and ABTS oxidation as a substrate under the in-silico and in-vitro conditions respectively. Furthermore, the Km and Vmax of the purified enzymes were determined in line with their activities, so that the mutant-type revealed 54% decrease in Km and 5.5-fold increase in Kcat and an increase in Kcat/Km parameter. In addition, through HPLC technique, the comparison of BP degradation by the natural and mutant enzymes confirmed the superior capability of the mutant enzyme in BP removal.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"48 5","pages":"1113 - 1123"},"PeriodicalIF":1.4,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778850","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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":"On the Solvability of Time-Fractional Spatio-Temporal COVID-19 Model with Non-linear Diffusion","authors":"Y. Sudha,&nbsp;V. N. Deiva Mani,&nbsp;K. Murugesan","doi":"10.1007/s40995-024-01663-3","DOIUrl":"10.1007/s40995-024-01663-3","url":null,"abstract":"<div><p>COVID-19 (Coronavirus Disease-2019) is a highly contagious disease that began spreading towards the end of 2019 and quickly became a global pandemic. Despite extensive efforts taken by public health authorities and policymakers, the disease continues to persist globally. To overcome this scenario, we construct a spatio-temporal time-fractional COVID-19 model that incorporates non-linear density dependent diffusion coefficients as well as the Caputo time-fractional derivative, which captures the disease dynamics more relevantly. The main objective of this article is to explore the existence and uniqueness of global weak solutions for the proposed model. We first construct weak solutions as sequences in a finite-dimensional space. We then ensure the convergence of these sequences through energy estimates and compactness results, thereby establishing the existence of weak solutions for the proposed model using the Faedo–Galerkin method. We then prove the uniqueness of weak solutions. Finally, we study stability of the model in the Mittag–Leffler sense.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"48 5","pages":"1281 - 1298"},"PeriodicalIF":1.4,"publicationDate":"2024-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141721170","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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":"On the Conservation Laws and Traveling Wave Solutions of a Nonlinear Evolution Equation that Accounts for Shear Strain Waves in the Growth Plate of a Long Bone","authors":"T. S. Moretlo,&nbsp;A. R. Adem,&nbsp;B. Muatjetjeja","doi":"10.1007/s40995-024-01626-8","DOIUrl":"10.1007/s40995-024-01626-8","url":null,"abstract":"<div><p>A nonlinear partial differential equation that accounts for shear strain waves in a long bone’s development plate is investigated. Lie group classification is performed on the underlying equation and it is found that the principal Lie algebra consists of a single time translation symmetry. The underlying analysis prompts that the principal algebra is extended by a single space translation and consequentially it is found the Lie algebra is two dimensional. A linear combination of the translation symmetries results in highly fourth-order nonlinear ordinary differential. Courtesy of an ansatz method this highly fourth-order nonlinear ordinary differential results in obtaining series of hyperbolic and trigonometric traveling wave solutions. Finally, we compute conservation laws courtesy of the invariance and multiplier technique. The findings can well mimic complex waves and their dealing dynamics in a long bone’s development.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"48 5","pages":"1243 - 1251"},"PeriodicalIF":1.4,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141548508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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":"The Effect of Doping TiO2 Monolayer with Sn+4, Pb+4, and S-2 Ions on H2 Production by Photocatalytic Water Splitting: Periodic DFT Modeling","authors":"Nasim Orangi,&nbsp;Hossein Farrokhpour,&nbsp;Hamidreza Jouypazadeh,&nbsp;Fahimeh Eshaghzadeh","doi":"10.1007/s40995-024-01671-3","DOIUrl":"10.1007/s40995-024-01671-3","url":null,"abstract":"<div><p>(Sn⁺⁴ and Pb⁺⁴) mono-doping and (Sn⁺⁴-Pb⁺⁴), (Sn⁺⁴-S^-2), and (Pb⁺⁴-S^-2) co-doping were used to investigate the performance of the water splitting activity of the (111) TiO₂ monolayer by performing periodic density functional theory (DFT) calculations. The pure (111) monolayer with a large bandgap energy (3.9 eV) limits the absorption of sunlight. However, the pure structure has appropriate conduction band (CB) and valence band (VB) energy edges, which, respectively, are above the reduction potential of the H⁺/H₂ and below the oxidation potential of H₂O/O₂ half-reactions. Upon Sn⁺⁴ and Pb⁺⁴ mono-doping and (Sn⁺⁴-Pb⁺⁴), (Sn⁺⁴-S^-2), and (Pb⁺⁴-S^-2) co-doping, the band gap energy of the (111) TiO₂ monolayer becomes smaller than that of the corresponding pure monolayer, which increases the photocatalytic efficiency. Among the considered monolayers in this work, the Sn⁺⁴ mono-doped as well as the (Sn⁺⁴-S^-2) co-doped (111) TiO₂ monolayers, which have appropriate CB energy potential for proton reduction, are the most desirable photocatalysts for hydrogen production. It is noted that all structures particularly the Pb⁺⁴ mono-doped, (Sn⁺⁴-Pb+⁴) and (Pb⁺⁴-S^-2) co-doped (111) TiO₂ monolayers with appropriate VB edges and narrow band gap energies are good candidates for O₂ evolution.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"48 5","pages":"1351 - 1364"},"PeriodicalIF":1.4,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141548374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}