Cu-phthalocyanine-mediated nanowindow production on single-wall carbon nanohorn

Stević, Dragana; Furuse, Ayumi; Vallejos-Burgos, Fernando; Kukobat, Radovan; Kaneko, Katsumi

doi:10.1080/00268976.2020.1815883

Cited by 11 publications

(7 citation statements)

References 40 publications

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“…To protect these nanowindows from the plug effect, where the −COOH and −OH groups located at the hole edges are replaced by −COONa and −ONa, Iijima and co-workers proposed a reduction reaction involving flow of H 2 gas at 1200 °C for 3 h. Using this chemical treatment, the authors showed an increase of 55% in the quantity of cddp released from the CNH with less oxygenated groups at the nanowindow edges. In a more recent study, Stevic et al proposed a method for a controlled formation of uniform nanowindows of about 0.5 nm in size on the walls of CNH using copper phthalocyanine. In addition to adsorbing on the CNH surface, the authors demonstrated that this compound catalyzed the oxidation process conducted in O 2 at a high temperature (∼573 K).…”

Section: Introductionmentioning

confidence: 99%

Unveiling the Releasing Processes of Pt(II)-Based Anticancer Drugs from Oxidized Carbon Nanohorn: An In Silico Study

2022

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About half of all cancer chemotherapies currently applied involve medication with the three worldwide approved Pt(II)-based drugs, cisplatin (cddp), carboplatin (cpx), and oxaliplatin (oxa), due to their notable antitumor activity for several cancers. However, this wide application is accompanied by severe side effects, such as nephrotoxicity, myelosuppression, and neurotoxicity, as a result of their low bioavailability and selectivity for cancer cells. To mitigate these drawbacks, the use of chemically functionalized carbon nanohorns (CNH) as nanocarriers represents a potential formulation since CNH has been noted for their biodegradability, biocompatibility, low toxicity, and cavities dimensionally compatible with small drugs. This work reports energetic and dynamic analyses of complexes formed by oxidized CNH (CNHox) and the cddp, cpx, and oxa drugs. Using unbiased molecular dynamics (MD) simulations, we show that the encapsulated formulations (cddp@CNHox, cpx@CNHox, and oxa@CNHox) were more stable by ∼11.0 kcal mol–1 than the adsorbed ones (cddp > CNHox, cpx > CNHox, and oxa > CNHox). This high stability, mainly governed by van der Waals interactions, was responsible for the drug confinement during the entire simulation time (200 ns). The biased MD simulations of the inclusion complexes confirmed the nonspontaneity of the drug release since the potentials of mean force (PMF) indicated the endergonic character of this process. Additionally, the releasing energy profiles pointed out that the free energy barrier (ΔΔG ≠) for the escape from CNHox cavity follows the order oxa > cpx ∼ cddp, with the value for the oxa complex (21–26 kcal mol–1) found to be about 36 and 30% larger than those for cpx and cddp, respectively. While the approximate residence time (t res) of the oxa drug inside the CNHox cavity was 5.45 × 108 s, the same measure for the cddp and cpx drugs was 5.3 × 105 and 1.60 × 103 s. Simulations also revealed that the escape of oxa with the oxalate group facing the nanowindow was the most unfavorable process, giving t res = 1.09 × 109 s. Besides reinforcing and extending the nanovectorization of cddp, cpx, and oxa in CNHox for cancer chemotherapies, all features considered may provide interpretations for experimental data and encourage new investigations aiming to propose less aggressive treatments for oncological diseases.

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Section: Introductionmentioning

confidence: 99%

Unveiling the Releasing Processes of Pt(II)-Based Anticancer Drugs from Oxidized Carbon Nanohorn: An In Silico Study

2022

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“…However, low-pressure ( P / P 0 = 0.1) hysteresis of GO was negligible (<1%) for a pre-evacuation temperature of ≤353 K. The adsorption hysteresis above P / P 0 = 0.4 was close to that of IUPAC H3, indicating the presence of nonordered slit-shaped mesopores . Low-pressure hysteresis is an indication of the pore entrance blocking effect . The GO layers are stacked over each other, resulting in the observed slit-shaped mesopores.…”

Section: Resultsmentioning

confidence: 88%

“…16 Lowpressure hysteresis is an indication of the pore entrance blocking effect. 35 The GO layers are stacked over each other, resulting in the observed slit-shaped mesopores. The assembly structure of the stacked GO layers was partially deformed, indicating the observed pore blocking effect.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Effect of Pretreatment Conditions on the Precise Nanoporosity of Graphene Oxide

et al. 2022

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Nanoscale pores in graphene oxide (GO) control various important functions. The nanoporosity of GO is sensitive to low-temperature heating. Therefore, it is important to carefully process GO and GO-based materials to achieve superior functions. Optimum pretreatment conditions, such as the pre-evacuation temperature and time, are important during gas adsorption in GO to obtain accurate pore structure information. This study demonstrated that the pre-evacuation temperature and time for gas adsorption in GO must be approximately 333−353 K and 4 h, respectively, to avoid the irreversible alteration of nanoporosity. In situ temperature-dependent Fourier-transform infrared spectra and thermogravimetric analysis−mass spectrometry suggested significant structural changes in GO above the pre-evacuation temperature (353 K) through the desorption of "physically adsorbed water" and decomposition of unstable surface functional groups. The nanoporosity of GO significantly changed above the aforementioned pre-evacuation temperature and time. Thus, standard pretreatment is indispensable for understanding the intrinsic interface properties of GO.

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“…A promising solution consists of using a membrane made of small zeolite crystals wrapped with colloidal graphene sheets bearing nanoscale holes (nanowindows) ( 18 , 19 ). Target gases permeate through the nanowindows ( 20 ) and access the interfacial spaces between graphene and zeolite crystal surfaces.…”

Section: Introductionmentioning

confidence: 99%

Ultrapermeable 2D-channeled graphene-wrapped zeolite molecular sieving membranes for hydrogen separation

et al. 2022

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The efficient separation of hydrogen from methane and light hydrocarbons for clean energy applications remains a technical challenge in membrane science. To address this issue, we prepared a graphene-wrapped MFI (G-MFI) molecular-sieving membrane for the ultrafast separation of hydrogen from methane at a permeability reaching 5.8 × 10 6 barrers at a single gas selectivity of 245 and a mixed gas selectivity of 50. Our results set an upper bound for hydrogen separation. Efficient molecular sieving comes from the subnanoscale interfacial space between graphene and zeolite crystal faces according to molecular dynamic simulations. The hierarchical pore structure of the G-MFI membrane enabled rapid permeability, indicating a promising route for the ultrafast separation of hydrogen/methane and carbon dioxide/methane in view of energy-efficient industrial gas separation.

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Cu-phthalocyanine-mediated nanowindow production on single-wall carbon nanohorn

Cited by 11 publications

References 40 publications

Unveiling the Releasing Processes of Pt(II)-Based Anticancer Drugs from Oxidized Carbon Nanohorn: An In Silico Study

Unveiling the Releasing Processes of Pt(II)-Based Anticancer Drugs from Oxidized Carbon Nanohorn: An In Silico Study

Effect of Pretreatment Conditions on the Precise Nanoporosity of Graphene Oxide

Ultrapermeable 2D-channeled graphene-wrapped zeolite molecular sieving membranes for hydrogen separation

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