Experimental and molecular modeling of interaction of carbon quantum dots with glucose

Sadrolhosseini, Amir Reza; Rashid, Suraya Abdul; Jamaludin, Norhanisah; Isloor, Arun M.

doi:10.1007/s00339-019-2753-z

Cited by 12 publications

(11 citation statements)

References 32 publications

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“…It can contain important functional groups or a specific fluorophore molecule either physically interacting or chemically bound to the surface of the nanoparticle or embedded inside the core. Tables – give an indication of typical model simplifications, where polyaromatic compounds or graphene-like layers including either doped or functionalized with relevant edge groups can still give useful information about many optical properties of CNDs. ,,,,,,,,,,,,,,, …”

Section: In Silico Methods For Cnd Studiesmentioning

confidence: 99%

“…B3LYP/6-31G(p)-optimized structure of CND (referred to as a carbon quantum dot, or “CQD”, by the original authors) interacting with glucose. Reproduced with permission from Sadrolhosseini et al Copyright 2019 Springer.…”

Section: Computational Studies Of Cndsmentioning

confidence: 99%

“…Computational studies of the interactions of CDs with small molecules, ,,,,,,,,, surfaces ,,, and biological macromolecules or assembled structures, including proteins, − ,,,,,, nucleic acids, ,,, and lipid bilayers, ,,,,,,,,,,, generally make use of highly simplified or idealized CD models. The former two fields (interactions with small molecules or surfaces), which often employ computationally expensive electronic structure methods, specifically, DFT/TDDFT routinely models the CDs themselves as small molecules, e.g., pyrene or coronene derivatives.…”

Section: Computational Studies Of Cndsmentioning

confidence: 99%

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Carbon Nanodots from an In Silico Perspective

et al. 2022

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Carbon nanodots (CNDs) are the latest and most shining rising stars among photoluminescent (PL) nanomaterials. These carbon-based surface-passivated nanostructures compete with other related PL materials, including traditional semiconductor quantum dots and organic dyes, with a long list of benefits and emerging applications. Advantages of CNDs include tunable inherent optical properties and high photostability, rich possibilities for surface functionalization and doping, dispersibility, low toxicity, and viable synthesis (top-down and bottom-up) from organic materials. CNDs can be applied to biomedicine including imaging and sensing, drug-delivery, photodynamic therapy, photocatalysis but also to energy harvesting in solar cells and as LEDs. More applications are reported continuously, making this already a research field of its own. Understanding of the properties of CNDs requires one to go to the levels of electrons, atoms, molecules, and nanostructures at different scales using modern molecular modeling and to correlate it tightly with experiments. This review highlights different in silico techniques and studies, from quantum chemistry to the mesoscale, with particular reference to carbon nanodots, carbonaceous nanoparticles whose structural and photophysical properties are not fully elucidated. The role of experimental investigation is also presented. Hereby, we hope to encourage the reader to investigate CNDs and to apply virtual chemistry to obtain further insights needed to customize these amazing systems for novel prospective applications.

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Section: In Silico Methods For Cnd Studiesmentioning

confidence: 99%

Section: Computational Studies Of Cndsmentioning

confidence: 99%

Section: Computational Studies Of Cndsmentioning

confidence: 99%

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Carbon Nanodots from an In Silico Perspective

et al. 2022

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“…[5] The biocompatibility of CDs is due to the abundant functional groups (hydroxyl, carboxyl, amino, and epoxy) on their surfaces, providing further benefits of binding inorganic and organic moieties. [6][7][8][9] Both CDs and graphene quantum dots (GQDs) have gained significant growth within scientific and technology circles due to their unique features such as excitation wavelength dependent PL, [10] good biocompatibility, [11] high quantum yield (QY), the abundance of raw material in nature, excellent aqueous stability, [12] high temperatures for experiments. [24,50,51] The advantage of the bottom-up approach is its control over the morphology and size of CDs.…”

Section: Introductionmentioning

confidence: 99%

“…[ 5 ] The biocompatibility of CDs is due to the abundant functional groups (hydroxyl, carboxyl, amino, and epoxy) on their surfaces, providing further benefits of binding inorganic and organic moieties. [ 6–9 ] Both CDs and graphene quantum dots (GQDs) have gained significant growth within scientific and technology circles due to their unique features such as excitation wavelength dependent PL, [ 10 ] good biocompatibility, [ 11 ] high quantum yield (QY), the abundance of raw material in nature, excellent aqueous stability, [ 12 ] high crystallinity, [ 13 ] water solubility, [ 14 ] low level of toxicity, [ 15 ] chemical stability, resistance to photobleaching, [ 16 ] and easy modification. [ 17 ] In contrast, significant health and environmental concerns have lessened the applicability of semiconductor quantum dots (SQD).…”

Section: Introductionmentioning

confidence: 99%

Carbon Dots from Natural Sources for Biomedical Applications

John

et al. 2022

Part & Part Syst Charact

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Carbon dots (CD), a class of 0D nanomaterials, have gained much research attention over the years due to their uniqueness in properties such as tunable photoluminescence, biocompatibility, low toxicity, water‐solubility, and chemical stability. Converting inexpensive biomass to valuable materials highlights the synthesis and applications of biomass‐derived CDs. This review summarizes the research and development related to the synthesis, properties, and applications of biomass‐derived CDs, furnishing a comprehensive list of biomass‐derived CDs with their properties and potential applications. This review's discussions and references span the properties that equip CDs for their diverse biomedical applications, such as bioimaging, sensing, drug delivery, phototherapy, and nanomedicine.

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Hydrothermal Approach for the Preparation of Blue‐Emitting Carbon Quantum Dots: An Insight into the Influence of the Reaction Parameters

Vercelli,

De Micheli,

Donnini

et al. 2024

Small Structures

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The surface of carbon quantum dots (CDs) is rich in functionalities, which could be selectively post‐derivatized to obtain smart materials for various advanced applications. In this context, the development of a robust synthesis processes for CD formation is a considerable challenge to guarantee the reproducibility of the properties and functionalities on their surface for successful post‐derivatization. Thus, understanding the formation mechanism of CDs at the molecular level and its correlations with the reaction parameters is of paramount importance. Herein, we describe how two selected purification strategies and the reaction parameters influence the properties of CDs obtained through the hydrothermal method. We adopted a simplified approach employing small molecules that can be extracted from biomass/biowaste to develop a sustainable and scalable synthetic strategy for industrial applications. First, we studied the influence of the reaction parameters on the CD morphological, structural, and chemical properties. Then, we show how the reaction parameters, the temperature in particular, influence the formation of graphitic nitrogen oxide centers in CD honeycomb structure and their role in determining CDs color and stability. Finally, we concluded that low reaction temperatures cause an incomplete CD nucleation process while higher ones lead to more stable CDs, with reproducible properties and surface functionalities.

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Experimental and molecular modeling of interaction of carbon quantum dots with glucose

Cited by 12 publications

References 32 publications

Carbon Nanodots from an In Silico Perspective

Carbon Nanodots from an In Silico Perspective

Carbon Dots from Natural Sources for Biomedical Applications

Hydrothermal Approach for the Preparation of Blue‐Emitting Carbon Quantum Dots: An Insight into the Influence of the Reaction Parameters

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