Two-dimensional porphyrin sheet as an electric and optical sensor material for pH detection: A DFT study

Xie, Kefeng; An, Ning; Zhang, Yang; Li, Guohua; Zhang, Fuchun; Zhang, Youdan; Jiao, Fei

doi:10.1016/j.commatsci.2019.109485

Cited by 20 publications

(13 citation statements)

References 38 publications

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“…In recent years, the use of graphene quantum dots (GQDs) has spread in life sciences applications [16][17][18]. GQDs are two-dimensional materials based on graphene; they are structured as a single-atom-thick sheet of honeycomb-arranged, sp2-bonded carbon atoms and they have great electronic properties [19][20][21]. GQDs have demonstrated very good biocompatibility, having a molecule-like shape, when compared to other QDs [13].…”

Section: Introductionmentioning

confidence: 99%

Enhanced Chemotherapy for Glioblastoma Multiforme Mediated by Functionalized Graphene Quantum Dots

et al. 2020

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Glioblastoma is the most aggressive and lethal brain cancer. Current treatments involve surgical resection, radiotherapy and chemotherapy. However, the life expectancy of patients with this disease remains short and chemotherapy leads to severe adverse effects. Furthermore, the presence of the blood–brain barrier (BBB) makes it difficult for drugs to effectively reach the brain. A promising strategy lies in the use of graphene quantum dots (GQDs), which are light-responsive graphene nanoparticles that have shown the capability of crossing the BBB. Here we investigate the effect of GQDs on U87 human glioblastoma cells and primary cortical neurons. Non-functionalized GQDs (NF-GQDs) demonstrated high biocompatibility, while dimethylformamide-functionalized GQDs (DMF-GQDs) showed a toxic effect on both cell lines. The combination of GQDs and the chemotherapeutic agent doxorubicin (Dox) was tested. GQDs exerted a synergistic increase in the efficacy of chemotherapy treatment, specifically on U87 cells. The mechanism underlying this synergy was investigated, and it was found that GQDs can alter membrane permeability in a manner dependent on the surface chemistry, facilitating the uptake of Dox inside U87 cells, but not on cortical neurons. Therefore, experimental evidence indicates that GQDs could be used in a combined therapy against brain cancer, strongly increasing the efficacy of chemotherapy and, at the same time, reducing its dose requirement along with its side effects, thereby improving the life quality of patients.

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Section: Introductionmentioning

confidence: 99%

Enhanced Chemotherapy for Glioblastoma Multiforme Mediated by Functionalized Graphene Quantum Dots

et al. 2020

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“…TcS 2 双层(e)和三层(f)的PBE能带结构 [65] , 其中费米能级设为0 Figure 4 (Color online) Band gap and structure. (a) Band gap of 2D porphyrin which coordinated with different numbers of H. The Fermi levels has been shifted to zero energy [85] . (b) Bandgaps dependence on the number of BN pairs codoped in graphdiyne monolayer [86] .…”

Section: 此外 2d材料的光学性质也能通过理论计算预测mentioning

confidence: 99%

“…The PBE band structures of TcS 2 bilayer (e) and trilayer (f) [65] . The Fermi energy was set to 0 同数量H原子修饰的2D卟啉的带隙, 随修饰氢原子数量的增加, 带隙也随之增大 [85] . 此外, Srimathi等人 .…”

Section: 此外 2d材料的光学性质也能通过理论计算预测mentioning

confidence: 99%

“…基于光吸收系数公式 [47] , Qiao等人 [7] 预测了α-P的光吸系数, 随着叠加层数的增大, 光吸收发生了红移现象, 这与带隙的变化一致. Xie等人 [85] 研究了不同数量质子装饰的卟啉的吸收光谱, 随装饰质子数的增加, 其吸收光谱由于带隙的变宽发生蓝移现象. 2D光催化剂 [25,45] .…”

Section: 此外 2d材料的光学性质也能通过理论计算预测unclassified

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High-throughput screening of two-dimensional materials and prediction of photocatalytic performances

Chen

Zhang

et al. 2020

Chin. Sci. Bull.

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“…However, there are no direct instrumental methods to assess small metal clusters immobilized on supports, and hence, mechanistic studies are necessary. DFT modeling is widely used to describe polymers and metal clusters [28][29][30][31][32]. Many works describe DFT modeling of Pd n clusters [33][34][35][36] as well as adsorption of different compounds on them [37][38][39].…”

Section: Introductionmentioning

confidence: 99%

Hyper-Cross-Linked Polystyrene as a Stabilizing Medium for Small Metal Clusters

et al. 2021

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Among different polymers nanostructured cross-linked aromatics have the greatest potential as catalytic supports due to their exceptional thermal and chemical stability and preservation of the active phase morphology. This work studies the ability of hyper-cross-linked polystyrene (HPS) to stabilize small Pdn and Ptn (n = 4 or 9) clusters. Unrestricted DFT calculations were carried out for benzene (BZ) adsorption at the BP level of theory using triple-zeta basis sets. The adsorption of BZ rings (stepwise from one to four) was found to result in noticeable gain in energy and stabilization of resulting adsorption complexes. Moreover, the interaction of metal clusters with HPS micropores was also addressed. For the first time, the incorporation of small clusters in the HPS structure was shown to influences its geometry resulting in the stabilization of polymer due to its partial relaxation.

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Two-dimensional porphyrin sheet as an electric and optical sensor material for pH detection: A DFT study

Cited by 20 publications

References 38 publications

Enhanced Chemotherapy for Glioblastoma Multiforme Mediated by Functionalized Graphene Quantum Dots

Enhanced Chemotherapy for Glioblastoma Multiforme Mediated by Functionalized Graphene Quantum Dots

High-throughput screening of two-dimensional materials and prediction of photocatalytic performances

Hyper-Cross-Linked Polystyrene as a Stabilizing Medium for Small Metal Clusters

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