Molecular simulation of the paracetamol drug interaction with Pt-decorated BC₃ graphene-like nanosheet

References

• de Carvalho RM, Freire RS, Rath S, et al. Effects of EDTA on signal stability during electrochemical detection of Acetaminophen. Journal of Pharmaceutical and Biomedical Analysis. 2004;34:871–878.
   PubMed Web of Science ®Google Scholar
• Koao LF, Hone FG, Dejene FB., Synthesis and characterization of PbS nanowires doped with Tb3+ ions by using chemical bath deposition method. J Nanostruct Chem. 2020;10:1–7. doi:https://doi.org/10.1007/s40097-019-00323-y.
   Web of Science ®Google Scholar
• Moradi O, Aghaie M, Zare K, et al. The study of adsorption characteristics Cu2+ and Pb2+ ions onto PHEMA and P (MMA-HEMA) surfaces from aqueous single solution. Journal of hazardous materials. 2009;170:673–679.
   PubMed Web of Science ®Google Scholar
• Aragaw BA. Reduced graphene oxide-intercalated graphene oxide nano-hybrid for enhanced photoelectrochemical water reduction. J Nanostruct Chem . 2020;10:9–18. doi:https://doi.org/10.1007/s40097-019-00324-x.
   Web of Science ®Google Scholar
• Wang H, Song T, Li Z, et al. Exceptional high and Reversible ammonia uptake by Two dimension Few-layer BiI3 nanosheets. ACS Applied Materials & Interfaces. 2021;13(22):25918–25925. doi:https://doi.org/10.1021/acsami.1c03261.
   PubMed Web of Science ®Google Scholar
• Li Z, Shi Y, Zhu A, et al. Light-responsive, Reversible emulsification and demulsification of Oil-in-water pickering emulsions for catalysis. Angewandte Chemie (International ed.). 2021;60(8):3928–3933. doi:https://doi.org/10.1002/anie.202010750.
   PubMed Web of Science ®Google Scholar
• Fu H, Gao B, Hu C, et al. 3D nitrogen-doped graphene created by the secondary intercalation of ethanol with enhanced specific capacity. Nanotechnology. 2021;33(7):75703. doi:https://doi.org/10.1088/1361-6528/ac30c2.
   Web of Science ®Google Scholar
• Lai W, Huang E, Lui K. Alginate-based complex fibers with the Janus morphology for controlled release of co-delivered drugs. Asian Journal of Pharmceutical Sciences. 2021;16(1):77–85. doi:https://doi.org/10.1016/j.ajps.2020.05.003.
   PubMed Web of Science ®Google Scholar
• Xu P, Cao J, Yin C, et al. Quantum chemical study on the adsorption of megazol drug on the pristine BC3 nanosheet. Supramolecular chemistry. 2021;33(3):63–69https://doi.org/10.1080/10610278.2021.1938049.
   Web of Science ®Google Scholar
• Sirajuddin AR, Khaskheli A, Shah MI, et al. Mahesar, spectrochim. Acta Part A. 2007;68:747.
   PubMedGoogle Scholar
• Moradi O, Zare K, Monajjemi M, et al The studies of equilibrium and thermodynamic adsorption of Pb (II), Cd (II) and Cu (II) ions from aqueous solution onto SWCNTs and SWCNT–COOH surfaces. Fullerenes, Nanotubes, and Carbon Nanostructures. 2010;18:285–302.
   Web of Science ®Google Scholar
• Zhang X, Tang Y, Zhang F, et al. A Novel Aluminum-Graphite Dual-Ion Battery. Advanced energy materials. 2016;6(11):1502588. doi:https://doi.org/10.1002/aenm.201502588.
   Web of Science ®Google Scholar
• Zhang L, Zheng J, Tian S, et al. Effects of Al3 + on the microstructure and bioflocculation of anoxic sludge. Journal of Environmental Sciences (China. 2020;91:212–221. doi:https://doi.org/10.1016/j.jes.2020.02.01.
   PubMedGoogle Scholar
• Malinga NN, Jarvis ALL. Synthesis, characterization and magnetic properties of Ni, Co and FeCo nanoparticles on reduced graphene oxide for removal of Cr(VI). J Nanostruct Chem . 2020;10:55–68. https://doi.org/https://doi.org/10.1007/s40097-019-00328-7.
   Web of Science ®Google Scholar
• Baei MT, Peyghan AA, Bagheri Z. Carbon nanocone as an ammonia sensor: DFT studies. Structural Chemistry. 2013;24:1099–1103.
   Web of Science ®Google Scholar
• Moradi O, V K. Adsorption of Pb (II), Cd (II) and Cu (II) ions in aqueous solution on SWCNTs and SWCNT–COOH surfaces: kinetics studies. Fullerenes, nanotubes and carbon nanostructures. 2011;19:628–652.
   Web of Science ®Google Scholar
• Rezaei A, Ghiasi R, Marjani A. Strong chemisorption of E2H2 and E2H4 (E = C, Si) on B12N12 nano-cage. Molecular Simulation. 2020;10:179–191. https://doi.org/https://doi.org/10.1007/s40097-020-00340-2.
   Google Scholar
• Ahmadi A, Kamfiroozi M, Beheshtian J, et al. The effect of surface curvature of aluminum nitride nanotubes on the adsorption of NH3. Structural Chemistry. 2011;22:1261–1265.
   Web of Science ®Google Scholar
• Robati D, Bagheriyan S, Rajabi M, et al. Effect of electrostatic interaction on the methylene blue and methyl orange adsorption by the pristine and functionalized carbon nanotubes. Physica E. 2016;83:1–6.
   Google Scholar
• Zhang M, Zhang L, Tian S, et al. Effects of graphite particles/Fe3 + on the properties of anoxic activated sludge. Chemosphere Oxford. 2020;253:126638. doi:https://doi.org/10.1016/j.chemosphere.2020.126638.
   PubMed Web of Science ®Google Scholar
• Dong P, Zhang T, Xiang H, et al. Controllable synthesis of exceptionally small-sized superparamagnetic magnetite nanoparticles for ultrasensitive MR imaging and angiography. Journal of Materials Chemistry. B, Materials for Biology and Medicine. 2021;9(4):958–968. doi:https://doi.org/10.1039/D0TB02337J.
   PubMed Web of Science ®Google Scholar
• Wang Z, Zhang T, Pi L, et al. Large-scale one-pot synthesis of water-soluble and biocompatible upconversion nanoparticles for dual-modal imaging. Colloids and Surfaces, B, Biointerfaces. 2021;198:111480, doi:https://doi.org/10.1016/j.colsurfb.2020.111480.
   PubMed Web of Science ®Google Scholar
• Moradi O. The removal of ions by functionalized carbon nanotube: equilibrium, isotherms and thermodynamic studies. Chemical and Biochemical Engineering Quarterly. 2011;25:229–240.
   Web of Science ®Google Scholar
• Chen R, Cheng Y, Wang P, et al. Enhanced removal of Co(II) and Ni(II) from high-salinity aqueous solution using reductive self-assembly of three-dimensional magnetic fungal hyphal/graphene oxide nanofibers. The Science of the Total Environment. 2021;756:143871, doi:https://doi.org/10.1016/j.scitotenv.2020.143871.
   PubMed Web of Science ®Google Scholar
• Deng X, Xu T, Huang G, et al. Design and fabrication of a novel dual-frequency confocal ultrasound transducer for microvessels super-Harmonic imaging. IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control. 2021;68(4):1272–1277. doi:https://doi.org/10.1109/TUFFC.2020.3028505.
   PubMed Web of Science ®Google Scholar
• Congfen Z, Yingxiao L, Linfeng H, et al. Effects of uranium on the antioxidant responses of Chinese Oak silkworm, antheraea pernyi. Pakistan Journal of Zoology. 2021;23:1–8. doi:https://doi.org/10.17582/journal.pjz/20190715000752.
   Google Scholar
• Gao T, Li C, Yang M, et al. Mechanics analysis and predictive force models for the single-diamond grain grinding of carbon fiber reinforced polymers using CNT nano-lubricant. Journal of Materials Processing Technology. 2021;290:116976.
   Web of Science ®Google Scholar
• Najafi F. Thermodynamic studies of carbon nanotube interaction with Gemcitabine anticancer drug: DFT calculations. J Nanostruct Chem . 2020;10:227–242. https://doi.org/https://doi.org/10.1007/s40097-020-00344-y.
   Web of Science ®Google Scholar
• Hutapea S, Ghazi Al-Shawi S, Chen TC, et al. Study on food preservation materials based on nano-particle reagents. Food Science and Technology. 2021.https://doi.org/https://doi.org/10.1590/fst.39721 .
   Google Scholar
• Ngafwan N, Rasyid H, Abood ES, et al. Study on novel fluorescent carbon nanomaterials in food analysis. Food Science and Technology. 2021.https://doi.org/https://doi.org/10.1590/fst.37821 .
   Google Scholar
• Al-Shawi SG, Alekhina NA, Aravindhan S, et al. Synthesis of NiO Nanoparticles and Sulfur, and Nitrogen co Doped-Graphene Quantum dots/NiO Nanocomposites for Antibacterial application. Journal of Nanostructures. 2021;11(1):181–188.
   Web of Science ®Google Scholar
• Al-Shawi SG, Al-Younis ZK, Abd Al-Kareem NF. Study of cumin antibacterial and antioxidant activity of alcoholic and aqueous extracts. Pakistan Journal of Biotechnology. 2017;14(2):227–231.
   Google Scholar
• Ma R, Golberg D, Bando Y, et al. Syntheses and properties of B–C–N and BN nanostructures. Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences. 2004;362:2161–2186.
   Google Scholar
• Moradi O, Yari M, Moaveni P, et al. Removal of p-nitrophenol and naphthalene from petrochemical wastewater using SWCNTs and SWCNT-COOH surfaces. Fullerenes, Nanotubes and Carbon Nanostructures. 2012;20:85–98.
   Web of Science ®Google Scholar
• Baei MT, Peyghan AA, Bagheri Z. A computational study of AlN nanotube as an oxygen detector. Chin. Chem. Lett. 2012;23:965–968.
   Web of Science ®Google Scholar
• Foroutan M, Fatemi SJ, Fatemi SM. A mini-review on dispersion and functionalization of boron nitride nanotubes.”. Journal of Nanostructures. 2020;10:265–274. https://doi.org/https://doi.org/10.1007/s40097-020-00347-9.
   Google Scholar
• Moradi O, Yari M, Zare K, et al. Carbon nanotubes: a review of chemistry principles and reactions. Fullerenes, Nanotubes and Carbon Nanostructures. 2012;20:138–151.
   Web of Science ®Google Scholar
• Rodrigues BS, Almeida VA, Claudino CH, et al. Direct polymerization of polyheptazine in the interlamelar spaces of titanate nanotubes enhances visible-light response. J Nanostruct Chem. 2020;10:363–376. https://doi.org/https://doi.org/10.1007/s40097-020-00357-7.
   Web of Science ®Google Scholar
• Kadhom M, Al-Doori AN, Ahmed DS, et al. Herbal medicine as an alternative method to treat and prevent COVID-19. Baghdad Journal of Biochemistry and Applied Biological Sciences. 2021;2(01):1–20.
   Google Scholar
• Beheshtian J, Peyghan AA, Bagheri Z, et al. Density-functional calculations of HCN adsorption on the pristine and Si-doped graphynes. Structural Chemistry. 2013;25:1–7.
   Web of Science ®Google Scholar
• Aghaei SM, Monshi M, Torres I, et al. DFT study of adsorption behavior of NO, CO, NO2, and NH3 molecules on graphene-like BC3: a search for highly sensitive molecular sensor. Applied Surface Science. 2018;427:326–333.
   Web of Science ®Google Scholar
• Moradi M, Peyghan AA, Bagheri Z, et al. Cation-π interaction of alkali metalions with C24 fullerene: a DFT study. J. Mol. Model. 2012;18:3535–3540.
   PubMed Web of Science ®Google Scholar
• Noei M, Salari AA, Ahmadaghaei N, et al. DFT study of the dissociative adsorption of HF on an AlN nanotube. Comptes Rendus Chimie. 2013;16:985–989.
   Web of Science ®Google Scholar
• Yin Q, Li C, Dong L, et al. Effects of physicochemical properties of different base oils on friction coefficient and surface roughness in MQL milling AISI 1045. International Journal of Precision Engineering and Manufacturing-Green Technology. 2021;8:1629–1647.
   Web of Science ®Google Scholar
• Liu T, Wang C, Gu X, et al. Drug delivery with PEGylated MoS2 nano-sheets for combined photothermal and chemotherapy of cancer. Advanced Materials. 2014;26:3433–3440.
   PubMed Web of Science ®Google Scholar
• Shim G, Kim M-G, Park JY, et al. Graphene-based nanosheets for delivery of chemotherapeutics and biological drugs. Advanced Drug Delivery Reviews. 2016;105:205–227.
   PubMed Web of Science ®Google Scholar
• Chawda N, Basu M, Majumdar D, et al. Engineering of gadolinium-decorated graphene oxide nanosheets for multimodal bioimaging and drug delivery. ACS Omega. 2019;4:12470–12479.
   PubMed Web of Science ®Google Scholar
• Yang M, Li C, Luo L, et al. Predictive model of convective heat transfer coefficient in bone micro-grinding using nanofluid aerosol cooling. International Communications in Heat and Mass Transfer. 2021;125:105317.
   Web of Science ®Google Scholar
• Moradi O.. Adsorption behavior of basic red 46 by single-walled carbon nanotubes surfaces. Fullerenes, Nanotubes and Carbon Nanostructures. 2013;21:286–301.
   Web of Science ®Google Scholar
• Moradi O, Zare K, Monajjemi M, et al. The Studies of Equilibrium and Thermodynamic Adsorption of Pb(II), Cd(II) and Cu(II) Ions From Aqueous Solution onto SWCNTs and SWCNT –COOH Surfaces. Fullerenes, Nanotubes and Carbon Nanostructures. 2010;18:285–302.
   Web of Science ®Google Scholar
• Wang Y, Li C, Zhang Y, et al. Experimental evaluation of the lubrication properties of the wheel/workpiece interface in MQL grinding with different nanofluids. Tribology International. 2016;99:198–210.
   Web of Science ®Google Scholar
• Moradi O, Maleki M, Tahmacebi S. Removal of COD from dairy wastewater by MWCNTs: adsorption isotherm modeling. Fullerenes, Nanotubes and Carbon Nanostructures. 2013;21:794–803.
   Web of Science ®Google Scholar
• Guo S, Li C, Zhang Y, et al. Experimental evaluation of the lubrication performance of mixtures of castor oil with other vegetable oils in MQL grinding of nickel-based alloy. Journal of Cleaner Production. 2017;140:1060–1076.
   Web of Science ®Google Scholar
• Boys SF, Bernardi F. The calculation of small molecular interactions by the differences of separate total energies. some procedures with reduced errors. Molecular Physics. 1970;19:553–566.
   Web of Science ®Google Scholar
• Moradi O, Zare K., Adsorption of Pb(II), Cd(II) and Cu(II) Ions From Aqueous Solution onto SWCNTs and SWCNT –COOH Surfaces: Kinetics Study. Fullerenes, Nanotubes and Carbon Nanostructures. 2011;19:628–652.
   Web of Science ®Google Scholar
• Li B, Li C, Zhang Y, et al. Heat transfer performance of MQL grinding with different nanofluids for Ni-based alloys using vegetable oil. Journal of Cleaner Production. 2017;154:1–11.
   Web of Science ®Google Scholar
• Moradi O, Maleki M, Tahmasebi S. DFT calculation of structures and NMR chemical shifts of simple models of small diameter zigzag single wall carbon nanotubes (SWCNTs). Fullerenes, Nanotubes and Carbon Nanostructures. 2013;21:733–748.
   Web of Science ®Google Scholar
• Illyaskutty N, Kohler H, Trautmann T, et al. Enhanced ethanol sensing response from nanostructured MoO3: ZnO thin films and their mechanism of sensing. Journal of Materials Chemistry C. 2013;1:3976–3984.
   Web of Science ®Google Scholar
• Qahir A, Khan N, Hakeem A, et al. The antioxidant, antimicrobial, and clinical effects with elemental contents of pomegranate (punica granatum) peel extraction: A review. Baghdad Journal of Biochemistry and Applied Biological Sciences. 2021;2(01):21–28.
   Google Scholar
• Wardani HA, Rahmadi M, Ardianto C, et al. Development of nonalcoholic fatty liver disease model by high-fat diet in rats. Journal of Basic and Clinical Physiology and Pharmacology. 2019;30:6.
   Google Scholar
• Idrus RBH, Mohamad NB, Morat PB, et al. Differential effect of adrenocorticosteroids on 11β-hydroxysteroid dehydrogenase bioactivity at the anterior pituitary and hypothalamus in rats. Steroids. 1996;61(8):448–452.
   PubMed Web of Science ®Google Scholar
• Ruszymah BHI, Nabishah BM, Aminuddin S, et al. Mineralocorticoid and glycyrrhizic acid block stress induced hypotension in rats. Clinical and Experimental Pharmacology and Physiology. 1995;22(1):35–40.
   PubMed Web of Science ®Google Scholar
• Ruszymah BH, Nabishah BM, Aminuddin S, et al. Effects of glycyrrhizic acid and steroid treatment on corticotropin releasing factor and beta-endorphin containing neurons of the hypothalamus of the rat. The Malaysian Journal of Pathology. 1999;21(1):51–58.
   PubMedGoogle Scholar
• Roslan N, Shariff H. Potential pharmacotherapy of olea europaea (olive) fruit Oil against neurotoxicity induced methamphetamine. Journal of Cellular and Molecular Anesthesia. 2019;4(2):67–68.
   Google Scholar
• Mousa TH, Al-Obaidi ZMJ, Alkhafaji SL. Molecular docking studies and evaluation of the anti-inflammatory activity of ibuprofen-tranexamic acid codrug. Latin American Journal of Pharmacy. 2021;40(special issue):128–134.
   Google Scholar
• You SH, Yoon MY, Moon JS. Antioxidant and anti-inflammatory activity study of fulvic acid. Journal of Natural science. Biology and Medicine. 2021;12:3.
   Google Scholar
• Sowmya S V, Rao RS, Prasad K. Prediction of metastasis in oral squamous cell carcinoma through phenotypic evaluation and gene expression of E-cadherin, β-catenin, matrix metalloproteinase-2, and matrix metalloproteinase-9 biomarkers with clinical correlation. J Carcinog. 2020;19:8.
   PubMedGoogle Scholar
• Das S, Maity S, Goswami TK. Effectiveness and safety of topical combination of tropicamide 0.8%(w/v) and phenylephrine hydrochloride 5%(w/v) among the successful postdacryocystorhinostomy cases. Journal of Natural science. Biology and Medicine. 2021;12(1):43.
   Google Scholar
• Agrawal S, Gupta A, Gupta S, et al. Role of carbohydrate antigen 19-9, carcinoembryonic antigen, and carbohydrate antigen 125 as the predictors of resectability and survival in the patients of carcinoma gall bladder. J Carcinog. 2020;19:4.
   PubMedGoogle Scholar
• Pelalak R, Heidari Z. Lithographically cut multiwalled carbon nanotubes: opening caps, controlling length distribution, and functionalization. Journal of dispersion science and technology. 2014;35:808–814.
   Web of Science ®Google Scholar
• Pelalak R, Heidari Z, Alizadeh R, et al. Efficient oxidation/mineralization of pharmaceutical pollutants using a novel Iron (III) oxyhydroxide nanostructure prepared via plasma technology: Experimental, modeling and DFT studies. Journal of Hazardous Materials. 2021;411:125074–125079.
   PubMed Web of Science ®Google Scholar
• Moradi O, Maleki M. Removal of COD from dairy wastewater by MWCNTs: adsorption isotherm modeling. Fullerenes, Nanotubes and Carbon Nanostructures. 2013;21:836–848.
   Web of Science ®Google Scholar
• Moradi O, Zare K., Adsorption of Ammonium Ion by Multi-walled Carbon Nanotube: Kinetics and Thermodynamic Studies. Fullerenes, Nanotubes and Carbon Nanostructures. 2013;21:449–459.
   Web of Science ®Google Scholar
• Xiao C, Ma K, Cai G, et al. Borophene as an electronic sensor for metronidazole drug: A computational study. Journal of Molecular Graphics and Modelling. 2020;96:107539.
   PubMed Web of Science ®Google Scholar
• Guo J, Zhu C, Zhao Y, et al. LAMP: Label Augmented Multimodal Pretraining. arXiv preprint arXiv:2012.04446. 2020.
   Google Scholar
• Zhang H, Xing X, Liu Y, et al. Comprehensive network analysis of different subtypes of molecular disorders in lung cancer. Oncologie. 2020;22(2):107–116. https://doi.org/https://doi.org/10.32604/oncologie.2020.012494.
   Web of Science ®Google Scholar
• A.A. Peyghan, M.T. Baei, M. Moghimi, S. Hashemian, Phenol adsorption study on pristine, Ga-, and In-doped (4, 4) armchair single-walled boron nitride nanotubes, Computational and Theoretical Chemistry, 2012;997:63–69.
   Web of Science ®Google Scholar
• A.A. Peyghan, M. Noei, The alkali and alkaline earth metal doped ZnO nanotubes: DFT studies, Physica B: Condensed Matter, 2014;432:105–110.
   Web of Science ®Google Scholar
• A.A. Peyghan, H. Soleymanabadi, Computational study on ammonia adsorption on the X12Y12 nano-clusters (X = B, Al and Y = N, P), Current Science, 2015;108:1910–1914.
   Web of Science ®Google Scholar