On the mechanism of graphene quantum dot encapsulation by chitosan: A molecular dynamics study

Ren, Hao; Shen, Xin; Dai, Junhao; Peng, Guoteng; Liang, Lijun; Shen, Jia-Wei; Zhang, Li

doi:10.1016/j.molliq.2020.113453

Cited by 7 publications

(6 citation statements)

References 57 publications

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“…GQDs adsorbed much better and with higher affinity to the CS chain with -NH 2 groups; so, unprotonated (anionic) CS has a higher affinity to GQDs and can capture more GQDs molecules. [21] The result of XRD analysis indicated that GQDs had an amorphous structure and did not noticeably change the crystalline composition of the final NPs (Figure 2F). The FTIR results of CS NPs and CS/GQD NPs verified the interactions of the CS and GQD materials and confirmed the presence of functional groups in CS and CS/GQD NPs (Figure 3A).…”

Section: Discussionmentioning

confidence: 96%

“…GQDs adsorbed much better and with higher affinity to the CS chain with –NH 2 groups; so, unprotonated (anionic) CS has a higher affinity to GQDs and can capture more GQDs molecules. [ 21 ]…”

Section: Discussionmentioning

confidence: 99%

“…[20] Due to the strong 𝜋-𝜋 stacking interaction, GQDs easily aggregate, and their fluorescence gradually diminishes. [21] CS inhibits the GQDs agglomeration and then, improves their fluorescence stability. [22] The purpose of the current study was to develop NPs proper for brain targeting through intranasal (IN) delivery.…”

Section: Introductionmentioning

confidence: 99%

“…[ 20 ] Due to the strong π – π stacking interaction, GQDs easily aggregate, and their fluorescence gradually diminishes. [ 21 ] CS inhibits the GQDs agglomeration and then, improves their fluorescence stability. [ 22 ]…”

Section: Introductionmentioning

confidence: 99%

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Microfluidic Synthesis of Ultrasmall Chitosan/Graphene Quantum Dots Particles for Intranasal Delivery in Alzheimer's Disease Treatment

Mohebichamkhorami

Faizi

Mahmoudifard

et al. 2023

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Nanoparticles (NPs) based therapies for Alzheimer's disease (AD) attract interest due to their ability to pass across or bypass the blood‐brain barrier. Chitosan (CS) NPs or graphene quantum dots (GQDs) are promising drug carriers with excellent physicochemical and electrical properties. The current study proposes the combination of CS and GQDs in ultrasmall NP form not as drug carriers but as theranostic agents for AD. The microfluidic‐based synthesis of the CS/GQD NPs with optimized characteristics makes them ideal for transcellular transfer and brain targeting after intranasal (IN) delivery. The NPs have the ability to enter the cytoplasm of C6 glioma cells in vitro and show dose and time‐dependent effects on the viability of the cells. IN administration of the NPs to streptozotocin (STZ) induced AD‐like models lead to a significant number of entrances of the treated rats to the target arm in the radial arm water maze (RAWM) test. It shows the positive effect of the NPs on the memory recovery of the treated rats. The NPs are detectable in the brain via in vivo bioimaging due to GQDs as diagnostic markers. The noncytotoxic NPs localize in the myelinated axons of hippocampal neurons. They do not affect the clearance of amyloid β (Aβ) plaques at intercellular space. Moreover, they showed no positive impact on the enhancement of MAP2 and NeuN expression as markers of neural regeneration. The memory improvement in treated AD rats may be due to neuroprotection via the anti‐inflammation effect and regulation of the brain tissue microenvironment that needs to be studied.

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Section: Discussionmentioning

confidence: 96%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Microfluidic Synthesis of Ultrasmall Chitosan/Graphene Quantum Dots Particles for Intranasal Delivery in Alzheimer's Disease Treatment

Mohebichamkhorami

Faizi

Mahmoudifard

et al. 2023

Small

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“…The structures of GQDs with different sizes were selected in this study, which is as same as our previous works [ 45 , 46 ]. One C atom is set as the central atom of Cartesian coordinates (0, 0, 0), and the other C atoms satisfying x 2 + y 2 < R 2 are chosen to be the C atoms of GQDs, where R is the radius of GQDs.…”

Section: Methodsmentioning

confidence: 99%

Theoretical Evaluation of Potential Cytotoxicity of Graphene Quantum Dot to Adsorbed DNA

et al. 2022

Self Cite

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As a zero-dimensional (0D) nanomaterial, graphene quantum dot (GQD) has a unique physical structure and electrochemical properties, which has been widely used in biomedical fields, such as bioimaging, biosensor, drug delivery, etc. Its biological safety and potential cytotoxicity to human and animal cells have become a growing concern in recent years. In particular, the potential DNA structure damage caused by GQD is of great importance but still obscure. In this study, molecular dynamics (MD) simulation was used to investigate the adsorption behavior and the structural changes of single-stranded (ssDNA) and double-stranded DNA (dsDNA) on the surfaces of GQDs with different sizes and oxidation. Our results showed that ssDNA can strongly adsorb and lay flat on the surface of GQDs and graphene oxide quantum dots (GOQDs), whereas dsDNA was preferentially oriented vertically on both surfaces. With the increase of GQDs size, more structural change of adsorbed ssDNA and dsDNA could be found, while the size effect of GOQD on the structure of ssDNA and dsDNA is not significant. These findings may help to improve the understanding of GQD biocompatibility and potential applications of GQD in the biomedical field.

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Progress and challenges in understanding of photoluminescence properties of carbon dots based on theoretical computations

Langer

Paloncýová

Medveď

et al. 2021

Applied Materials Today

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On the mechanism of graphene quantum dot encapsulation by chitosan: A molecular dynamics study

Cited by 7 publications

References 57 publications

Microfluidic Synthesis of Ultrasmall Chitosan/Graphene Quantum Dots Particles for Intranasal Delivery in Alzheimer's Disease Treatment

Microfluidic Synthesis of Ultrasmall Chitosan/Graphene Quantum Dots Particles for Intranasal Delivery in Alzheimer's Disease Treatment

Theoretical Evaluation of Potential Cytotoxicity of Graphene Quantum Dot to Adsorbed DNA

Progress and challenges in understanding of photoluminescence properties of carbon dots based on theoretical computations

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