Skip to main content
SpringerLink
Log in

Sensing Characterization of Metformin Drug by Pristine and Decorated BC3 Nanosheet: Quantum Chemical Study

  • General and Applied Physics
  • Published:
Brazilian Journal of Physics Aims and scope Submit manuscript

Abstract

By employing density functional theory, the response of the decorated and pristine BC3 nanosheets to the metformin (MF) drug was inspected. Considering the fact that the calculated energy of adsorption for the pristine BC3 is approximately − 15.46 kcal/mol, it does not show a significant tendency toward the MF molecules. In addition, the electronic properties evaluated for the pristine BC3 nanosheet are not influenced by the MF drug significantly. Alternatively, decorating the sheet by Zn dramatically raises its sensitivity to the MF drug. The adsorption of the MF drug reduces the band gap of the Zn-BC3 nanosheet from 1.12 to 0.62 eV, thereby enhancing the electrical conductivity. Furthermore, the MF drug adsorption will mainly influence the work function of the Zn-BC3 nanosheet, which in turn modifies the electron emission current from its sheet. This confirms that the Zn-BC3 nanosheet can be utilized as a work-function-type sensor. For the desorption of the MF drug, the recovery time of the Zn-BC3 nanosheet is short, i.e., 9.64 ms, which is another advantage of this sheet.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4

Similar content being viewed by others

Availability of Data and Material

Yes.

References

  1. A. Ebadi, M. Toughani, A. Najafi, M. Babaee, A brief overview on current environmental issues in Iran. Central Asian Journal of Environmental Science and Technology Innovation 1(1), 1–11 (2020)

    Google Scholar 

  2. A.S. Ghasemi, M.R. Taghartapeh, A. Soltani, P.J. Mahon, Adsorption behavior of metformin drug on boron nitride fullerenes: Thermodynamics and DFT studies. J. Mol. Liq. 275, 955–967 (2019)

    Google Scholar 

  3. C.V. Rizos, M.S. Elisaf, Metformin and cancer. Eur. J. Pharmacol. 705(1–3), 96–108 (2013)

    Google Scholar 

  4. A.G. Ebadi, H. Hisoriev, Gasification of algal biomass (Cladophora glomerata L.) with CO2/H2O/O2 in a circulating fluidized bed. Environmental technology 40(6), 749–755 (2019)

    Google Scholar 

  5. N. Sattarahmady, H. Heli, F. Faramarzi, Nickel oxide nanotubes-carbon microparticles/Nafion nanocomposite for the electrooxidation and sensitive detection of metformin. Talanta 82(4), 1126–1135 (2010)

    Google Scholar 

  6. X.-j Tian, J.-f Song, X.-j Luan, Y.-y Wang, Q.-z Shi, Determination of metformin based on amplification of its voltammetric response by a combination of molecular wire and carbon nanotubes. Anal. Bioanal. Chem. 386(7–8), 2081–2086 (2006)

    Google Scholar 

  7. A.G. Ebadi, H. Hisoriev, M. Zarnegar, H. Ahmadi, Hydrogen and syngas production by catalytic gasification of algal biomass (Cladophora glomerata L.) using alkali and alkaline-earth metals compounds. Environmental technology 40(9), 1178–1184 (2019)

    Google Scholar 

  8. R. M. Nejad, Z. Liu, W. Ma, F. Berto, Reliability analysis of fatigue crack ‎growth for rail steel under variable amplitude service loading conditions and ‎wear. Int. J. Fatigue. 152, 106450 (2021).

    Google Scholar 

  9. P. Umapathi, J. Ayyappan, S.D. Quine, Quantitative determination of metformin hydrochloride in tablet formulation containing croscarmellose sodium as disintegrant by HPLC and UV spectrophotometry. Trop. J. Pharm. Res. 11(1), 107–116 (2012)

    Google Scholar 

  10. M.A.S. Marques, S.A. de Souza, O.W. Pinto, P.T.W. Barroso, D.P. Pinto, M. Ferreira-Filho, E. Werneck-Barroso, Simple and rapid method determination for metformin in human plasma using high performance liquid chromatography tandem mass spectrometry: application to pharmacokinetic studies. J. Chromatogr. B 852(1–2), 308–316 (2007)

    Google Scholar 

  11. R. M. Nejad, Z. Liu, W. Ma, F. Berto, Fatigue reliability assessment of a ‎pearlitic Grade 900A rail steel subjected to multiple cracks. Eng. Fail. Anal, 128, 105625 ‎‎(2021).

    Google Scholar 

  12. M.R. Sohrabi, N. Kamali, M. Khakpour, Simultaneous spectrophotometric determination of metformin hydrochloride and glibenclamide in binary mixtures using combined discrete and continuous wavelet transforms. Anal. Sci. 27(10), 1037–1037 (2011)

    Google Scholar 

  13. A.G. Ebadi, H. Hisoriev, Metal pollution status of Tajan River–Northern Iran. Toxicological & Environmental Chemistry 99(9–10), 1358–1367 (2017)

    Google Scholar 

  14. A.G. Ebadi, H. Hisoriev, Physicochemical characterization of sediments from Tajan river basin in the northern Iran. Toxicological & Environmental Chemistry 100(5–7), 540–549 (2018)

    Google Scholar 

  15. B.R. Chavhan, P. Patil, S. Bavaskar, S. Barhate, Development and validation of analytical method for simultaneous estimation of glibenclamide and metformin hcl in bulk and tablets using uv–visible spectroscopy. WJPR 4, 1257–1266 (2015)

    Google Scholar 

  16. I. Habib, M. Kamel, Near infra-red reflectance spectroscopic determination of metformin in tablets. Talanta 60(1), 185–190 (2003)

    Google Scholar 

  17. Z. Deng, C. Liu, Z. Zhu, Inter-hours rolling scheduling of behind-the-meter ‎storage operating systems using electricity price forecasting based on deep ‎convolutional neural network. Int. J. Electr. Power Energy Syst. 125, 106499 (2021).

    Google Scholar 

  18. H. Hibino, H. Kageshima, M. Kotsugi, F. Maeda, F.-Z. Guo, Y. Watanabe, Dependence of electronic properties of epitaxial few-layer graphene on the number of layers investigated by photoelectron emission microscopy. Phys. Rev. B 79(12), 125437 (2009)

    ADS  Google Scholar 

  19. C. Lee, H. Yan, L.E. Brus, T.F. Heinz, J. Hone, S. Ryu, Anomalous lattice vibrations of single-and few-layer MoS2. ACS Nano 4(5), 2695–2700 (2010)

    Google Scholar 

  20. R. M. Nejad, F. Berto, G. Wheatley, M. Tohidi,  W. Ma, On fatigue life ‎prediction of Al-alloy 2024 plates in riveted joints. Structures, 33, 1715–1720 (2021)

    Google Scholar 

  21. Z. Deng, B. Wang, Y. Xu, T. Xu, C. Liu, Z. Zhu, Multi-scale convolutional ‎neural network with time-cognition for multi-step short-term load forecasting. IEEE ‎Access 7, 88058–88071 (2019). 

    Google Scholar 

  22. P. Ma, R.J. Mumper, Paclitaxel nano-delivery systems: a comprehensive review. J. Nanomed. Nanotechnol. 4(2), 1000164 (2013)

    Google Scholar 

  23. A. Alinejad, H. Raissi, H. Hashemzadeh, Understanding co-loading of doxorubicin and camptothecin on graphene and folic acid-conjugated graphene for targeting drug delivery: classical MD simulation and DFT calculation. J. Biomol. Struct. Dyn. 38(9), 2737–2745 (2020)

    Google Scholar 

  24. A.G. Ebadi, H. Hisoriev, The prevalence of heavy metals in Cladophora glomerata L. from Farahabad Region of Caspian Sea–Iran. Toxicological & Environmental Chemistry 99(5–6), 883–891 (2017)

    Google Scholar 

  25. R. Qin, S. Wang, F. Xiang, Structural changes and in vitro enzymatic digestibility of starch-lipid complexes altered by high hydrostatic pressure, Food Res. Dev, 42, 25–30 (2021).

    Google Scholar 

  26. D. Golberg, Y. Bando, W. Han, K. Kurashima, T. Sato, Single-walled B-doped carbon, B/N-doped carbon and BN nanotubes synthesized from single-walled carbon nanotubes through a substitution reaction. Chem. Phys. Lett. 308(3–4), 337–342 (1999)

    ADS  Google Scholar 

  27. A.G. Ebadi, H. Hisoriev, Ecological Assessment of Heavy metals in Sediments of the Farahabad Region (Iran). Polish Journal of Environmental Studies 27(3), 1033–1039 (2018) 

    Google Scholar 

  28. H. Tanaka, Y. Kawamata, H. Simizu, T. Fujita, H. Yanagisawa, S. Otani, C. Oshima, Novel macroscopic BC3 honeycomb sheet. Solid State Commun. 136(1), 22–25 (2005)

    ADS  Google Scholar 

  29. J. Huang,  Y. Zhang, Y. Sun, J. Ren, Z. Zhao, J. Zhang, Evaluation of pore ‎size distribution and permeability reduction behavior in pervious concrete, Constr. Build. Mater. 290, 123228 (2021).

    Google Scholar 

  30. M. Moradi, M. Noei, A.A. Peyghan, DFT studies of Si-and Al-doping effects on the acetone sensing properties of BC3 graphene. Mol. Phys. 111(21), 3320–3326 (2013)

    ADS  Google Scholar 

  31. A. Rivera-Diaz, P. Patricia Ortiz, C. Ricardo Delgado, D. The crucial role of estrogen/androgen hormones and their receptors in male infertility risk. Central Asian Journal of Medical and Pharmaceutical Sciences Innovation 1(1), 35–43 (2021) 

    Google Scholar 

  32. M. Eslami, A.A. Peyghan, DNA nucleobase interaction with graphene like BC3 nano-sheet based on density functional theory calculations. Thin Solid Films 589, 52–56 (2015)

    ADS  Google Scholar 

  33. A.A. Peyghan, S.F. Rastegar, N.L. Hadipour, DFT study of NH3 adsorption on pristine, Ni-and Si-doped graphynes. Phys. Lett. A 378(30–31), 2184–2190 (2014)

    ADS  Google Scholar 

  34. J. Zhou, X. Shen, Y. Qiu, E. Li, D. Rao, X. Shi, Improving the efficiency of microseismic ‎source locating using a heuristic algorithm-based virtual field optimization method. ‎ Geomech. Geophys. Geo-energ. Geo-resour. 7, 89 (2021).

  35. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, General atomic and molecular electronic structure system. J. Comput. Chem. 14(11), 1347–1363 (1993)

    Google Scholar 

  36. J. Beheshtian, A.A. Peyghan, Z. Bagheri, Detection of phosgene by Sc-doped BN nanotubes: a DFT study. Sens. Actuators B 171, 846–852 (2012)

    Google Scholar 

  37. A. Faramarzi, M. Golestan Jahromi, S. Ashourzadeh, N. Jalilian, Metastatic and pathophysiological characteristics of breast cancer with emphasis on hereditary factors. Central Asian Journal of Medical and Pharmaceutical Sciences Innovation 1(3), 104–113 (2021) 

    Google Scholar 

  38. S. Tomić, B. Montanari, N. Harrison, The group III–V’s semiconductor energy gaps predicted using the B3LYP hybrid functional. Physica E 40(6), 2125–2127 (2008)

    ADS  Google Scholar 

  39. N.M. O’boyle, A.L. Tenderholt, K.M. Langner, Cclib: a library for package-independent computational chemistry algorithms. J. Comput. Chem. 29(5), 839–45 (2008)

    Google Scholar 

  40. M. Khafaei, A. Miri, E. Kiani, E. Danesh, M. Naderi, Early diagnostic biomarkers of Lung cancer; a review study. Central Asian Journal of Medical and Pharmaceutical Sciences Innovation 1(3), 114–130 (2021) 

    Google Scholar 

  41. G. Korotcenkov, Handbook of gas sensor materials. In: Conventional Approaches, vol 1. (Springer, New York, 2013)

  42. J. Zhou, Y. Qiu , M. Khandelwal, S. Zhu, X. Zhang, Developing a hybrid model of Jaya ‎algorithm-based extreme gradient boosting machine to estimate blast-induced ground ‎vibrations. Int. J. Rock Mech. Min. Sci. 145, 104856 (2021). 

    Google Scholar 

  43. N.L. Hadipour, A. Ahmadi Peyghan, H. Soleymanabadi, Theoretical study on the Al-doped ZnO nanoclusters for CO chemical sensors. J. Phys. Chem. C 119(11), 6398–6404 (2015)

    Google Scholar 

  44. Chuanwei Xu, Renju Ding, Chuanping Xu, Analysis of the Effects of Different Surgical Procedures for the Treatment of Thyroid Cancer on the Expression Levels of IL-17, IL-35, and SIL-2R and the Prognostic Factors. Oncologie 22(1), 43–51 (2020). https://doi.org/10.32604/oncologie.2020.012445

    Article  Google Scholar 

  45. J. Huang, T. Duan, Y. Zhang, J. Liu, J. Zhang, Y. Lei, Predicting the Permeability of Pervious Concrete Based on the Beetle Antennae Search Algorithm and Random Forest Model. Advances in Civil Engineering 2020, 8863181 (2020). https://doi.org/10.1155/2020/8863181

    Article  Google Scholar 

  46. J. Huang, G. Shiva Kumar, J. Ren, Y. Sun, Y. Li, C. Wang, Towards the potential usage of eggshell powder as bio-modifier for asphalt binder and mixture: workability and mechanical properties. International Journal of Pavement Engineering 1–13.  (2021). https://doi.org/10.1080/10298436.2021.1905809

  47. J. Zhou, C. Chen, M. Wang, M. Khandelwal, Proposing a novel comprehensive evaluation model for the coal burst liability in underground coal mines considering uncertainty factors, International Journal of Mining Science and Technology (2021). https://doi.org/10.1016/j.ijmst.2021.07.011

Download references

Acknowledgements

Key research and development project of Sichuan Provincial Science and Technology Department in 2021: X Nurse—AI nursing housekeeper around disabled elderly (2021YFS0152)

Author information

Author notes

  1. Yanmin Tao, Yaxin Xu, and Hang Li have contributed equally to this work and should be considered co-first authors.

Authors and Affiliations

  1. Chengdu University of Traditional Chinese Medicine, Chengdu, 611137, China

    Yanmin Tao, Yaxin Xu, Hang Li, Xi Huang, Xiaoyu Huang, Beijia Liu & Tingting Deng

Authors
  1. Yanmin Tao
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Yaxin Xu
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Hang Li
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Xi Huang
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Xiaoyu Huang
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. Beijia Liu
    View author publications

    You can also search for this author in PubMed Google Scholar

  7. Tingting Deng
    View author publications

    You can also search for this author in PubMed Google Scholar

Contributions

All authors have same contributions.

Corresponding author

Correspondence to Tingting Deng.

Ethics declarations

Conflict of Interest

The authors declare no competing interests.

Additional information

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Tao, Y., Xu, Y., Li, H. et al. Sensing Characterization of Metformin Drug by Pristine and Decorated BC3 Nanosheet: Quantum Chemical Study. Braz J Phys 51, 1670–1676 (2021). https://doi.org/10.1007/s13538-021-00980-x

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s13538-021-00980-x

Keywords

Search

Navigation