Sun L, Liu H, Ye Y, Lei Y, Islam R, Tan S, Tong R, Miao Y-B, Cai L (2023) Smart nanoparticles for cancer therapy. Sig Transduct Target Ther. https://doi.org/10.1038/s41392-023-01642-x

Article  Google Scholar 

Altammar KA (2023) A review on nanoparticles: characteristics, synthesis, applications, and challenges. Front Microbiol. https://doi.org/10.3389/fmicb.2023.1155622

Article  PubMed  PubMed Central  Google Scholar 

Buzea C, Pacheco I (2017) Nanomaterials and their classification. In: Shukla AK (ed) EMR/ESR/EPR spectroscopy for characterization of nanomaterials. Springer India, New Delhi, pp 3–45

Google Scholar 

Zhi C, Bando Y, Tang C, Golberg D (2010) Boron nitride nanotubes. Mater Sci Eng R Rep. https://doi.org/10.1016/j.mser.2010.06.004

Article  Google Scholar 

Cumings J, Zettl A (2004) Field emission and current-voltage properties of boron nitride nanotubes. Solid State Commun. https://doi.org/10.1016/j.ssc.2003.11.026

Article  Google Scholar 

Turhan EA, Pazarçeviren AE, Evis Z, Tezcaner A (2022) Properties and applications of boron nitride nanotubes. Nanotechnology. https://doi.org/10.1088/1361-6528/ac5839

Article  PubMed  Google Scholar 

Nafiu S, Apalangya VA, Yaya A, Sabi EB (2022) Boron nitride nanotubes for curcumin delivery as an anticancer drug: a DFT investigation. Appl Sci. https://doi.org/10.3390/app12020879

Article  Google Scholar 

Cohen ML, Zettl A (2010) The physics of boron nitride nanotubes. Phys Today. https://doi.org/10.1063/1.3518210

Article  Google Scholar 

Farmanzadeh D, Ghazanfary S (2014) DFT studies of functionalized zigzag and armchair boron nitride nanotubes as nanovectors for drug delivery of collagen amino acids. Struct Chem. https://doi.org/10.1007/s11224-013-0292-3

Article  Google Scholar 

Juárez AR, Anota EC, Cocoletzi HH, Ramírez JS, Castro M (2017) Stability and electronic properties of armchair boron nitride/carbon nanotubes. Fuller Nanotubes Carbon Nanostruct. https://doi.org/10.1080/1536383X.2017.1389905

Article  Google Scholar 

Nemati-Kande E, Pourasadi A, Aghababaei F, Baranipour S, Mehdizadeh A, Sardroodi JJ (2022) Quantum DFT methods to explore the interaction of 1-Adamantylamine with pristine, and P, As, Al, and Ga doped BN nanotubes. Sci Rep. https://doi.org/10.1038/s41598-022-24200-x

Article  PubMed  PubMed Central  Google Scholar 

Mohammadi MD, Hamzehloo M (2018) The adsorption of bromomethane onto the exterior surface of aluminum nitride, boron nitride, carbon, and silicon carbide nanotubes: a PBC-DFT, NBO, and QTAIM study. Comput Theor Chem. https://doi.org/10.1016/j.comptc.2018.10.001

Article  Google Scholar 

Abdullah HY (2020) The adsorption of bromochlorodifluoromethane on pristine, Al, Ga, P, and As-doped boron nitride nanotubes: a study involving PBC-DFT, NBO analysis, and QTAIM. Comput Theor Chem. https://doi.org/10.1016/j.comptc.2020.113047

Article  Google Scholar 

Nemati-Kande E, Abbasi M, Mohammadi MD (2019) Feasibility of pristine and decorated AlN and SiC nanotubes in sensing of noble gases: a DFT study. ChemSelect. https://doi.org/10.1002/slct.201803934

Article  Google Scholar 

Mohammadi MD, Abdullah HY, Qadir KW, Suvitha A (2023) Theoretical investigation of intermolecular interactions between CNT, SiCNT and SiCGeNT nanomaterials with vinyl chloride molecule: a DFT, NBO, NCI, and QTAIM study. Diam Relat Mater. https://doi.org/10.1016/j.diamond.2022.109602

Article  Google Scholar 

Mohammadi MD, Abbas F, Louis H, Ikenyirimba OJ, Mathias GE, Shafiq F (2023) Advancing optoelectronic performance of organic solar cells: computational modeling of non-fullerene donor based on end-capped triphenyldiamine (TPDA) molecules. Comput Theor Chem. https://doi.org/10.1016/j.comptc.2023.114201

Article  Google Scholar 

Mohammadi MD, Abdullah HY, Louis H, Etim EE, Edet HO, Godfrey OC (2023) Hexachlorobenzene (HCB) adsorption onto the surfaces of C60, C59Si, and C59Ge: insight from DFT, QTAIM, and NCI. Chem Phys Impact. https://doi.org/10.1016/j.chphi.2023.100234

Article  Google Scholar 

Mohammadi MD, Abdullah HY, Louis H, Etim EE, Edet HO (2023) Evaluating the detection potential of C59X fullerenes (X = C, Si, Ge, B, Al, Ga, N, P, and As) for H2SiCl2 molecule. J Mol Liq. https://doi.org/10.1016/j.molliq.2023.12262

Article  Google Scholar 

Mohammadi MD, Abbas F, Louis H, Amodu IO (2023) Halides (Cl, F, and Br) encapsulated Ga12As12 nanocages used to improve the cell voltage for enhanced battery performance. J Phys Chem Solids. https://doi.org/10.1016/j.jpcs.2022.111174

Article  Google Scholar 

Mohammadi MD, Abdullah HY, Biskos G, Bhowmick S (2023) Adsorbing CNCl on pristine, C-, and Al-doped boron nitride nanotubes: a density functional theory study. Comput Theor Chem. https://doi.org/10.1016/j.comptc.2022.113980

Article  Google Scholar 

Ogunwale GJ, Louis H, Unimuke TO, Mathias GE, Owen AE, Edet HO, Enudi OC, Oluwasanmi EO, Adeyinka AS, Doust Mohammadi M (2023) Interaction of 5-fluorouracil on the surfaces of pristine and functionalized Ca12O12 nanocages: an intuition from DFT. ACS Omega. https://doi.org/10.1021/acsomega.2c03635

Article  PubMed  PubMed Central  Google Scholar 

Doust Mohammadi M, Louis H, Chukwu UG, Bhowmick S, Rasaki ME, Biskos G (2023) Gas-phase interaction of CO, CO2, H25S, NH3, NO, NO2, and SO2 with Zn12O12 and Zn24 atomic clusters. ACS Omega. https://doi.org/10.1021/acsomega.3c01177

Article  PubMed  PubMed Central  Google Scholar 

Pu X, Sheng S, Fu Y, Yang Y, Xu G (2024) Construction of circRNA–miRNA–mRNA ceRNA regulatory network and screening of diagnostic targets for tuberculosis. Ann Med. https://doi.org/10.1080/07853890.2024.2416604

Article  PubMed  PubMed Central  Google Scholar 

Zhao C, Kang J, Li Y, Wang Y, Tang X, Jiang Z (2023) Carbon-based stimuli-responsive nanomaterials: classification and application. Cyborg Bionic Syst. https://doi.org/10.34133/cbsystems.0022

Article  PubMed  PubMed Central  Google Scholar 

Hao X, Jiang B, Wu J, Xiang D, Xiong Z, Li C, Li Z, He S, Tu C, Li Z (2024) Nanomaterials for bone metastasis. J Control Release. https://doi.org/10.1016/j.jconrel.2024.07.067

Article  PubMed  Google Scholar 

Zeng M, Guo D, Fernández-Varo G, Zhang X, Fu S, Ju S, Yang H, Liu X, Wang YC, Zeng Y, Casals G (2022) The integration of nanomedicine with traditional Chinese medicine: drug delivery of natural products and other opportunities. Mol Pharm. https://doi.org/10.1021/acs.molpharmaceut.2c00882

Article  PubMed  PubMed Central  Google Scholar 

Zhou J, Zhou L, Chen ZY, Sun J, Guo XW, Wang HR, Zhang XY, Liu ZR, Liu J, Zhang K, Zhang X (2025) Remineralization and bacterial inhibition of early enamel caries surfaces by carboxymethyl chitosan lysozyme nanogels loaded with antibacterial drugs. J Dent. https://doi.org/10.1016/j.jdent.2024.105489

Article  PubMed  Google Scholar 

Wang J, Lee CH, Yap YK (2010) Recent advancements in boron nitride nanotubes. Nanoscale. https://doi.org/10.1039/c0nr00335b

Article  PubMed  PubMed Central  Google Scholar 

Chigo Anota E, Cocoletzi GH (2013) First-principles simulations of the chemical functionalization of (5,5) boron nitride nanotubes. J Mol Model. https://doi.org/10.1007/s00894-013-1782-3

Article  PubMed  Google Scholar 

Mortazavifar A, Raissi H, Akbari A (2019) DFT and MD investigations on the functionalized boron nitride nanotube as an effective drug delivery carrier for Carmustine anticancer drug. J Mol Liq. https://doi.org/10.1016/j.molliq.2018.12.028

Article  Google Scholar 

Rodríguez-Diéguez A, López-Viseras ME, Perea-Buceta JE, Mota AJ, Colacio E (2012) Synthesis, structure, magnetic properties and DFT calculations of novel bis-(5-tetrazolyl)amine copper(II) complexes. Inorg Chim Acta. https://doi.org/10.1016/j.ica.2011.12.040

Article  Google Scholar 

Golberg D, Bando Y, Tang CC, Zhi CY (2007) Boron nitride nanotubes. Adv Mater. https://doi.org/10.1002/adma.200700179

Article  Google Scholar 

Wu X, An W, Zeng XC (2006) Chemical functionalization of boron−nitride nanotubes with NH3 and amino functional groups. J Am Chem Soc. https://doi.org/10.1021/ja063653+

Article  PubMed  PubMed Central  Google Scholar 

Rodrigues AM, Palheta-Júnior AR, Pinheiro MS, Marinho AM, Chaves-Neto AM, Gester R, Andrade-Filho T (2021) Encapsulation ability of silicon carbide and boron nitride nanotubes for spilanthol molecule. J Nanostruct Chem. https://doi.org/10.1007/s40097-020-00359-5

Article  Google Scholar 

Smidstrup S, Markussen T, Vancraeyveld P, Wellendorff J, Schneider J, Gunst T, Verstichel B, Stradi D, Khomyakov PA, Vej-Hansen UG, Lee ME, Chill ST, Rasmussen F, Penazzi G, Cors