石墨烯生物毒性的计算机模拟研究进展

石墨烯是一种由平整的单层碳原子密集堆积成二维蜂窝晶格的碳纳米材料，具有优异的光学、电学、力学等特性，在生物医药、材料学等领域具有重要的应用前景。随着石墨烯在以上研究领域的广泛应用，其生物安全性问题也备受关注。尽管有大量研究表明石墨烯的生物相容性较好，但是部分研究却发现石墨烯具有一定的生物毒性。石墨烯粒径小，容易通过皮肤进入体内，可能与蛋白质、脂质或核酸等生物大分子相互作用。近年来，由于计算机模拟技术具有成本低、安全性高、易获得实验无法获取的动态结构等优势而被广泛用于生物、化学、制药等领域。本文综述了石墨烯与细胞膜、蛋白质和DNA等生物大分子相互作用的计算机模拟研究进展，从而评估石墨烯可能存在的生物毒性，为石墨烯的生物安全性评价和生物医学应用提供了参考。     

Graphite Oxide and Aromatic Amines: Size Matters

Experimental and theoretical studies are performed in order to illuminate, for first time, the intercalation mechanism of polycyclic aromatic molecules into graphite oxide. Two representative molecules of this family, aniline and naphthalene amine are investigated. After intercalation, aniline molecules prefer to covalently connect to the graphene oxide matrix via chemical grafting, while napthalene amine molecules bind with the graphene oxide surface through π–π interactions. The presence of intercalated aromatic molecules between the graphene oxide layers is demonstrated by X‐ray diffraction, while the type of interaction between graphene oxide and polycyclic organic molecules is elucidated by X‐ray photoelectron spectroscopy. Combined quantum mechanical and molecular mechanical calculations describe the intercalation mechanism and the aniline grafting, rationalizing the experimental data. The present work opens new perspectives for the interaction of various aromatic molecules with graphite oxide and the so‐called “intercalation chemistry”.     

Plasmonic Bi nanoparticle decorated BiVO4/rGO as an efficient photoanode for photoelectrochemical water splitting

We report the application of plasmonic Bi nanoparticles supported rGO/BiVO₄ anode for photoelectrochemical (PEC) water splitting. Nearly, 2.5 times higher activity was observed for Bi-rGO/BiVO₄ composite than pristine BiVO₄. Typical results indicated that Bi-rGO/BiVO₄ exhibits the highest current density of 6.05 mA/cm² at 1.23 V, whereas Bi–BiVO₄ showed the current density of only 3.56 mA/cm². This enhancement in PEC activity on introduction of Bi-rGO is due to the surface plasmonic behavior of BiNPs, which improves the absorption of radiation thereby reduces the charge recombination. Further, the composite electrode showed good solar to hydrogen conversion efficiency, appreciable incident photon-to-current efficiency and low charge transfer resistance. Hence, Bi-rGO/BiVO₄ provides an opportunity to realize PEC water splitting.     

Weak Delocalization in Graphene on a Ferromagnetic Insulating Film

Graphene has been predicted to develop a magnetic moment by proximity effect when placed on a ferromagnetic film, a promise that could open exciting possibilities in the fields of spintronics and magnetic data recording. In this work, the interplay between the magnetoresistance of graphene and the magnetization of an underlying ferromagnetic insulating film is studied in detail. A clear correlation between both magnitudes is observed but through a careful modeling of the magnetization and the weak localization measurements, that such correspondence can be explained by the effects of the magnetic stray fields arising from the ferromagnetic insulator is found. The results emphasize the complexity arising at the interface between magnetic and 2D materials.     

Electrophoretic deposition of graphene oxide on carbon brush as bioanode for microbial fuel cell operated with real wastewater

Microbial fuel cell (MFC) is a promising technology for simultaneous wastewater treatment and energy harvesting. The properties of the anode material play a critical role in the performance of the MFC. In this study, graphene oxide was prepared by a modified hummer's method. A thin layer of graphene oxide was incorporated on the carbon brush using an electrophoretic technique. The deoxygenated graphene oxide formed on the surface of the carbon brush (RGO-CB) was investigated as a bio-anode in MFC operated with real wastewater. The performance of the MFC using the RGO-CB was compared with that using plain carbon brush anode (PCB). Results showed that electrophoretic deposition of graphene oxide on the surface of carbon brush significantly enhanced the performance of the MFC, where the power density increased more than 10 times (from 33 mWm^?2 to 381 mWm^?2). Although the COD removal was nearly similar for the two MFCs, i.e., with PCB and RGO-CB; the columbic efficiency significantly increased in the case of RGO-CB anode. The improved performance in the case of the modified electrode was related to the role of the graphene in improving the electron transfer from the microorganism to the anode surface, as confirmed from the electrochemical impedance spectroscopy measurements.     

Constructing 3D honeycomb-like CoMn2O4 nanoarchitecture on nitrogen-doped graphene coating Ni foam as flexible battery-type electrodes for advanced supercapattery

Reasonable structural design is significant to enable the performance in advanced energy storage devices. Herein, a 3D honeycomb-like CoMn₂O₄ nanoarchitecture (CMO) on nitrogen-doped graphene (NG) coating Ni foam (denoted as Ni/NG/CMO) flexible battery-type electrode was prepared by a facile two-step hydrothermal strategy. The honeycomb-like CoMn₂O₄ arrays not only provide abundant active sites but can also be closely combined with the Ni foam/NG substrate, which enables high reversible capacity and good cycle stability during the long cycles. Benefiting from the compositional features and 3D honeycomb-like nanoarchitecture, the Ni/NG/CMO composite electrode displays improved electrochemical performance with remarkable specific capacity of 527.0C g⁻¹ at a current density of 1 A g⁻¹, outstanding rate capability (338.6C g⁻¹ even at 20 A g⁻¹). In addition, a flexible binder-free supercapattery device has been assembled with Ni/NG/CMO as positive electrode and 3D Ni/NG as negative electrode. Such a supercapattery delivers a high energy density of 44.1 Wh·kg⁻¹ at 992.6 W kg⁻¹, 20.3 Wh·kg⁻¹ at 12430.0 W kg⁻¹ as well as excellent cycling durability. The 3D honeycomb-like Ni/NG/CMO could be considered as an advanced flexible battery-type material for high capacity and energy density fields.     

The effects of surface-modified graphene nanoplatelets on the sliding wear properties of basalt fibers-reinforced epoxy composites

Possessing unique designs and properties absent in conventional materials, nanocomposites have made a remarkable imprint in science and technology. This is particularly true regarding the polymer matrix composites when they are further reinforced with nanoparticles. In this study, the effects of different weight percentages (0, 0.1, 0.2, 0.3, 0.4, and 0.5) of surface-modified graphene nanoplatelets (GNPs) on the microhardness and wear properties of basalt fibers/epoxy composites were investigated. The GNPs were surface modified by silane, and the composites were made by the hand lay-up method. The wear tests were conducted under two different loads of 20 and 40 N. The best wear properties were achieved at 0.3 wt % GNPs as a result of the GNPs' self-lubrication property and the formation of a stable transfer/lubricating film at the pin and disk interface. Moreover, the friction coefficient was lower at the higher normal load of 40 N. The microscopic studies by FESEM and SEM showed that the presence of GNPs up to 0.3 wt % led to the stability of the transfer/lubricating film by enhancing the adhesion of the basalt fibers to the epoxy resin. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 47986.     

Fabrication of 3D structures via direct ink writing of kaolin/graphene oxide composite suspensions at ambient temperature

Kaolin/graphene oxide composite has been widely utilized in aero-space and architectural engineering applications due to its excellent mechanical property. Direct ink writing (DIW) is a freeform rapid prototyping technology that could be used to accurately fabricate the resulting size with complex shapes. In this study, we reported the DIW of kaolin/graphene oxide (GO) composite suspensions (KGCS) to assemble 3D structures at ambient temperature for the first time. The effects of GO on the chemical constitution and microstructure of kaolin suspensions were investigated. Rheology was characterized to ensure printability of KGCS. The addition of GO in kaolin suspensions quickened a flocculation structure, which dramatically changed their rheology properties. The DIW of 3D structures from the optimal KGCS sample maintained their initial shape without spreading. The flexural and compressive strengths of the dried optimal KGCS samples were obviously enhanced due to the improvement and reduction of the micro-defects compared from cured kaolin matrix.     

A facile co-solvent strategy for preparation of graphene nanoplatelet powder: An industrially viable innovative approach

We report an industrially viable promising approach to produce micrometer-sized multilayer graphene nanoplatelet powder (MGNP) in a scalable quantity via microwave-assisted exfoliation of graphite (MEG) and fragmented into MGNP through liquid-phase exfoliation in the co-solvent mixture by kitchen mixer (KM). KM allows rapid delaminating MEG into MGNP by shear force dominated exfoliation. Majority of MGNPs are with a diameter of few micrometers and thickness is in nanometers. MGNP are crystalline with very limited defects was confirmed by Raman measurements and transmission electron microscopy. This process transforms, more than 86% of graphite flakes into MGNP. This advanced approach opens a new pathway to produce MGNP in bulk quantity as it is feasible, rapid, and cost-effective.     

A Polyallylamine Anchored Amine‐Rich Laser‐Ablated Graphene Platform for Facile and Highly Selective Electrochemical IgG Biomarker Detection

Current immunosensors have an insufficient number of binding sites for the recognition of biomolecules, which leads to false positive or negative results. In this research, a facile, cost‐effective, disposable, and highly selective electrochemical immunosensing platform is developed based on cationic polyelectrolyte polyallylamine (PAAMI) anchored laser‐ablated graphene (LAG). Here, for the first time, PAAMI is introduced to stabilize LAG flakes, while retaining the intrinsic thermal and electronic properties of the substrate by noncovalent π–π interaction and electrostatic physical absorption. The sensing platform offers a suitable number of anchoring sites for the immobilized antibodies by providing ? NH₂ functional groups. The proper grafting of PAAMI is confirmed through X‐ray photoelectron spectroscopy and Raman spectroscopy. The immunosensing platform is applied to detect immunoglobulin (IgG) biomarkers as a proof of concept. Under optimized conditions, the sensing platform exhibits a linear range of 0.012–15 and 15–352 ng mL^?1 with a limit of detection of 6 pg mL^?1 for IgG detection with high selectivity. Based on the analysis, the developed immunosensing platform can be used for point‐of‐care detection of IgG in clinical diagnostic centers. Furthermore, the developed strategy is well suited for the detection of other cancer biomarkers after immobilizing the relevant antibodies.