Interaction of vitamins B3 and C and their radicals with (5, 0) single-walled boron nitride nanotube for use as biosensor or in drug delivery

Farmanzadeh, Davood; Ghazanfary, Samereh

doi:10.1007/s12039-013-0512-9

Cited by 7 publications

(5 citation statements)

References 49 publications

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“…Similar results were found by Ciofani and co-workers, in which coated-BNNTs presented good cytocompatibility with human cells. − However, more recently, Goldberg and co-workers found that BNNTs are actually cytotoxic, in which the discrepancies with the other works were discussed and suggested to be due to the different morphology and size distribution of the BNNTs tested and the different assay techniques . Other works investigated whether BNNTs possess suitable features to be used as drug delivery systems and biosensors. , …”

Section: Introductionsupporting

confidence: 64%

“…35 Other works investigated whether BNNTs possess suitable features to be used as drug delivery systems and biosensors. 36,37 These great efforts from an experimental side, however, contrast with the very few theoretical studies. They are mainly limited to amino acids and nucleobases as model systems using density functional theory (DFT) methods because simulations of protein/and nucleic acid/BN nanomaterial interactions are computationally very demanding at an ab initio level.…”

Section: ■ Introductionmentioning

confidence: 99%

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Intrinsic Ladders of Affinity for Amino-Acid-Analogues on Boron Nitride Nanomaterials: A B3LYP-D2* Periodic Study

Rimola

2015

J. Phys. Chem. C

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A systematic computational study of the gas-phase adsorption of different amino acidanalogues (AA-an) on a (6,0) boron nitride nanotube (BNNT) and on a boron nitride monolayer (BNML) has been performed by means of B3LYP-D2* periodic calculations. The AA-an are CH 3 -R molecules, where R are functional groups present in amino acid side chains; i.e., OH, COOH, CONH 2 , NH 2 , imidazole, guanidine, phenyl, phenol, indole, and CONHCH 3 . On (6,0) BNNT, AA-an containing N electron donor groups (i.e., R = NH 2 , imidazole and guanidine) are strongly chemisorbed through dative interactions between the N atom of the AA-an and a B atom of the nanotube and present the largest adsorption energies (∆E ads ); for AA-an bearing aromatic rings (i.e., R = phenyl, phenol and indole) and R = CONHCH 3 , adsorption is driven by π-stacking interactions (with lower ∆E ads values than the previous group); while for AA-an with O electron donor groups and H-bonding donor groups (i.e., R = OH, COOH and CONH 2 ) adsorption is dictated by dispersion of moderate strength alongside weak dative and Hbond interactions, thus presenting the lowest ∆E ads . Significant differences are found on BNML. All adducts form by means of dispersion interactions of different nature. The most stable adducts are those establishing π-stacking interactions, in which the π-systems of the AA-an are aromatic rings (i.e., R = phenyl, phenol, indole and imidazole); the AA-an group presenting the second most favorable ∆E ads also present π-stacking interactions, but the π system is a single double-bond (i.e., R = COOH, CONH 2 , guanidine and CONHCH 3 ); whereas for R = NH 2 and OH adsorption is due to CH-π interactions. On the basis of the computed adsorption energies, intrinsic affinity scales of the considered AA-an for BN nanomaterials are proposed, which can give hints about those lateral chains responsible for the protein/BN nanomaterial interaction.

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Section: Introductionsupporting

confidence: 64%

Section: ■ Introductionmentioning

confidence: 99%

Intrinsic Ladders of Affinity for Amino-Acid-Analogues on Boron Nitride Nanomaterials: A B3LYP-D2* Periodic Study

Rimola

2015

J. Phys. Chem. C

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“…BNNTs also exhibit high chemical stability, excellent mechanical properties, and high thermal conductivity. These unique properties make BN nanotubes a promising nanomaterial in a variety of potential fields, such as gas sensing, spin filters, bio sensing, functional composites, hydrogen accumulators, and electrically insulating substrates [ 9 , 10 , 11 , 12 , 13 ]. Exploitation of nanoscale electronic devices based on these tubular nanostructures requires a full understanding of not only the static structural characteristics, but also the structural response to externally applied stimuli [ 14 ], e.g., thermal heat and electromagnetic waves.…”

Section: Introductionmentioning

confidence: 99%

Direct Observation of Inner-Layer Inward Contractions of Multiwalled Boron Nitride Nanotubes upon in Situ Heating

Sun

et al. 2018

Nanomaterials

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In situ heating transmission electron microscopy observations clearly reveal remarkable interlayer expansion and inner-layer inward contraction in multi-walled boron nitride nanotubes (BNNTs) as the specimen temperature increases. We interpreted the observed inward contraction as being due to the presence of the strong constraints of the outer layers on radial expansion in the tubular structure upon in situ heating. The increase in specimen temperature upon heating can create pressure and stress toward the tubular center, which drive the lattice motion and yield inner diameter contraction for the multi-walled BNNTs. Using a simple model involving a wave-like pattern of layer-wise distortion, we discuss these peculiar structural alterations and the anisotropic thermal expansion properties of the tubular structures. Moreover, our in situ atomic images also reveal Russian-doll-type BN nanotubes, which show anisotropic thermal expansion behaviors.

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“…Computational studies to understand drug-BNNT interactions have also been documented using a wide range of small molecule therapeutic agents such as efavirenz, an antiretroviral drug [119], isoniazid, an antibacterial compound [120], paracetamol, an antipyretic molecule [121], leflunomide, an immunosuppressant [122], propylthiouracil, an anti-thyroid [123], pyrazinamide, an anti-tuberculosis agent [124] and chitosan [125]. It was found from the MD simulation that the BNNTs can also be used for delivering RNA aptamer [126], vitamin B3, vitamin C [127].…”

Section: Potential Role Of Bnnts As a Growth Factor Delivery Systemmentioning

confidence: 99%

Boron nitride nanotube scaffolds: emergence of a new era in regenerative medicine

Anandhan

Krishnan

2021

Biomed. Mater.

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Tissue engineering scaffolds have transformed from passive geometrical supports for cell adhesion, extension and proliferation to active, dynamic systems that can in addition, trigger functional maturation of the cells in response to external stimuli. Such ‘smart’ scaffolds require the incorporation of active response elements that can respond to internal or external stimuli. One of the key elements that direct the cell fate processes is mechanical stress. Different cells respond to various types and magnitudes of mechanical stresses. The incorporation of a pressure-sensitive element in the tissue engineering scaffold therefore, will aid in tuning the cell response to the desired levels. Boron nitride nanotubes (BNNTs) are analogous to carbon nanotubes and have attracted considerable attention due to their unique amalgamation of chemical inertness, piezoelectric property, biocompatibility and, thermal and mechanical stability. Incorporation of BNNTs in scaffolds confers them with piezoelectric property that can be used to stimulate the cells seeded on them. Biorecognition and solubilization of BNNTs can be engineered through surface functionalization with different biomolecules. Over the years, the importance of BNNT has grown in the realm of healthcare nanotechnology. This review discusses the salient properties of BNNTs, the influence of functionalization on their in vitro and in vivo biocompatibility, and the uniqueness of BNNT-incorporated tissue engineering scaffolds.

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Interaction of vitamins B3 and C and their radicals with (5, 0) single-walled boron nitride nanotube for use as biosensor or in drug delivery

Cited by 7 publications

References 49 publications

Intrinsic Ladders of Affinity for Amino-Acid-Analogues on Boron Nitride Nanomaterials: A B3LYP-D2* Periodic Study

Intrinsic Ladders of Affinity for Amino-Acid-Analogues on Boron Nitride Nanomaterials: A B3LYP-D2* Periodic Study

Direct Observation of Inner-Layer Inward Contractions of Multiwalled Boron Nitride Nanotubes upon in Situ Heating

Boron nitride nanotube scaffolds: emergence of a new era in regenerative medicine

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