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Mariana Seke, Milica Markelic, Arian Morina, Danica Jovic, Aleksandra Korac, Dragana Milicic, Aleksandar Djordjevic
Adsorption of non-polar compounds by suspended fullerene nanoaggregates (nC60) may enhance their toxicity and affect the fate, transformation, and transport of non-polar compounds in the environment. The potential of stable fullerene nanoaggregates as contaminant carriers in aqueous systems and the influence of chloromethanes (trichloromethane and dichloromethane) were studied on the midgut epithelial cells of Daphnia magna by light and electron microscopy. The size and shape of fullerene nanoaggregates were observed and measured using dynamic light scattering, transmission electron microscopy, and low vacuum scanning electron microscopy...
December 3, 2016: Protoplasma
J H Du, H Jin, Z K Zhang, D D Zhang, S Jia, L P Ma, W C Ren, H M Cheng, P L Burn
The large surface roughness, low work function and high cost of transparent electrodes using multilayer graphene films can limit their application in organic photovoltaic (OPV) cells. Here, we develop single layer graphene (SLG) films as transparent anodes for OPV cells that contain light-absorbing layers comprised of the evaporable molecular organic semiconductor materials, zinc phthalocyanine (ZnPc)/fullerene (C60), as well as a molybdenum oxide (MoOx) interfacial layer. In addition to an increase in the optical transmittance, the SLG anodes had a significant decrease in surface roughness compared to two and four layer graphene (TLG and FLG) anodes fabricated by multiple transfer and stacking of SLGs...
December 1, 2016: Nanoscale
Chunyu Liu, Zhiqi Li, Zhihui Zhang, Xinyuan Zhang, Liang Shen, Wenbin Guo, Liu Zhang, Yongbing Long, Shengping Ruan
Tetrafluoro-tetracyanoquinodimethane (F4-TCNQ), a strong molecular acceptor, has been proved to be an excellent candidate to achieve the p-type doping effect. When F4-TCNQ is incorporated into a poly(3-hexylthiophene) (P3HT): indene-C60 bisadduct (ICBA) active layer, superior behavior upon inducing polymer donor excited electron transport is demonstrated due to the addition of a deep-lying lowest unoccupied molecular orbital (LUMO) from F4-TCNQ, leading to the realization of organic solar cells (OSCs) with an improved power conversion efficiency (PCE) of 5...
November 30, 2016: Physical Chemistry Chemical Physics: PCCP
Kohei Iritani, Kazukuni Tahara, Keiji Hirose, Steven De Feyter, Yoshito Tobe
Cyclic arrays consisting of six zinc-porphyrin units are constructed by the supramolecular self-assembly of a dehydrobenzo[12]-annulene derivative having three zinc porphyrin units at the liquid/graphite interface. Binding with C60 furnishes cyclic hexameric arrays of the complexes on the surface.
November 30, 2016: Chemical Communications: Chem Comm
Jun Xu, Bowen Zheng
Orderly arrayed granular crystals exhibit extraordinary capability to tune stress wave propagation. Granular system of higher dimension renders many more stress wave patterns, showing its great potential for physical and engineering applications. At nanoscale, one-dimensionally arranged buckyball (C60) system has shown the ability to support solitary wave. In this paper, stress wave behaviors of two-dimensional buckyball (C60) lattice are investigated based on square close packing and hexagonal close packing...
November 28, 2016: Scientific Reports
Quan Li, Liang Xu, Kai-Wu Luo, Wei-Qing Huang, Ling-Ling Wang, Xiao-Fei Li, Gui-Fang Huang, Ya-Bin Yu
Recent experiments have shown that the photocatalytic activity of g-C3N4 can be greatly enhanced by C60 modification, however, a fundamental understanding of its mechanistic operation is still lacking. Using first-principles calculations, the interfacial effects of C60/g-C3N4 nanocomposites on the electronic properties, charge transfer and optical response have been explored in detail. For different stacking patterns, the two constituents are always linked by van der Waals (vdW) forces without any exception, and form type-II heterojunctions in most cases...
November 25, 2016: Physical Chemistry Chemical Physics: PCCP
Yu-Wei Chang, Min-Jie Huang, Cheng-Chang Lai, Ching-Chih Chang, Man-Ping Huang, Chuang-Yi Liao, Chien-Hong Cheng
A novel p-type charge generation material, DPAF, composed of a ferrocene core and a bis(biphenyl)amino group is designed and synthesized for application to tandem OLED devices. This molecular design not only enhances the thermal properties of ferrocene and the hole mobility, but also maintains its electrochemical stability. The red, green, and blue tandem OLEDs all give excellent device performance with low efficiency roll-off by using n-type C60 and p-type DPAFs as charge generation layers.
November 24, 2016: Chemical Communications: Chem Comm
Hideo Hashizume, Chika Hirata, Kazuko Fujii, Kun'ichi Miyazawa
We have investigated the adsorption of some amino acids and an oligopeptide by fullerene (C60) and fullerene nanowhiskers (FNWs). C60 and FNWs hardly adsorbed amino acids. Most of the amino acids used have a hydrophobic side chain. Ala and Val, with an alkyl chain, were not adsorbed by the C60 or FNWs. Trp, Phe and Pro, with a cyclic structure, were not adsorbed by them either. The aromatic group of C60 did not interact with the side chain. The carboxyl or amino group, with the frame structure of an amino acid, has a positive or negative charge in solution...
December 2015: Science and Technology of Advanced Materials
Zhan-Wei Li, You-Liang Zhu, Zhong-Yuan Lu, Zhao-Yan Sun
How to create novel desired structures by rational design of building blocks represents a significant challenge in materials science. Here we report a conceptually new design principle for creating supracolloidal fullerene-like cages through the self-assembly of soft patchy particles interacting via directional nonbonded interactions by mimicking non-planar sp(2) hybridized carbon atoms in C60. Our numerical investigations demonstrate that the rational design of patch configuration, size, and interaction can drive soft three-patch particles to reversibly self-assemble into a vast collection of supracolloidal fullerene-like cages...
November 30, 2016: Physical Chemistry Chemical Physics: PCCP
Lukas Hammerschmidt, Julia Schacht, Nicola Gaston
Inspired by recent success of synthesizing cluster assembled compounds we address the question to what extent the three new materials [Co6Se8(PEt3)6][C60]2, [Cr6Te8(PEt3)6][C60]2, and [Ni9Te6(PEt3)8]C60, upon forming bulk compounds, imitate atomic analogues. Although experimental results suggest the latter, a theoretical approach is the method of choice for offering a conclusive answer and for studying the actual superatomic character. The concept of superatoms for describing atom-imitating clusters is very intriguing since it allows chemists to apply their chemical intuition - a useful tool for predicting new materials - when it comes to inter-cluster reactions...
November 30, 2016: Physical Chemistry Chemical Physics: PCCP
M Kuhn, M Renzler, J Postler, S Ralser, S Spieler, M Simpson, H Linnartz, A G G M Tielens, J Cami, A Mauracher, Y Wang, M Alcamí, F Martín, M K Beyer, R Wester, A Lindinger, P Scheier
Helium has a unique phase diagram and below 25 bar it does not form a solid even at the lowest temperatures. Electrostriction leads to the formation of a solid layer of helium around charged impurities at much lower pressures in liquid and superfluid helium. These so-called 'Atkins snowballs' have been investigated for several simple ions. Here we form HenC60(+) complexes with n exceeding 100 via electron ionization of helium nanodroplets doped with C60. Photofragmentation of these complexes is measured by merging a tunable narrow-bandwidth laser beam with the ions...
November 22, 2016: Nature Communications
Naiwrit Karmodak, Eluvathingal D Jemmis
Holes are inevitable in borospherenes. The surface topography of B40 and its π MOs isolobal to benzene allow for better η(7) -, η(6) - and η(3) - exohedral complexation with transition metal fragments than it is possible with C60 and arenes. η(7) -complexes of B40 is lower in energy than the η(6) -complexes for metal fragments such as C5 H5 Mn, C4 H4 Fe, and C3 H3 Co that have relatively diffuse frontier orbitals. The fragment C6 H6 Cr prefers η(6) -coordination. Near-isodesmic equations based on density functional theory computations of the transition metal complexes of B40 , C60 and C6 H6 support these anticipations...
November 8, 2016: Chemistry, An Asian Journal
Michael Renzler, Matthias Daxner, Lorenz Kranabetter, Alexander Kaiser, Andreas W Hauser, Wolfgang E Ernst, Albrecht Lindinger, Robert Zillich, Paul Scheier, Andrew M Ellis
Alkali metal atoms and small alkali clusters are classic heliophobes and when in contact with liquid helium they reside in a dimple on the surface. Here we show that alkalis can be induced to submerge into liquid helium when a highly polarizable co-solute, C60, is added to a helium nanodroplet. Evidence is presented that shows that all sodium clusters, and probably single Na atoms, enter the helium droplet in the presence of C60. Even clusters of cesium, an extreme heliophobe, dissolve in liquid helium when C60 is added...
November 14, 2016: Journal of Chemical Physics
Milan Borišev, Ivana Borišev, Milan Župunski, Danijela Arsenov, Slobodanka Pajević, Živko Ćurčić, Jovica Vasin, Aleksandar Djordjevic
Over the past few years, significant efforts have been made to decrease the effects of drought stress on plant productivity and quality. We propose that fullerenol nanoparticles (FNPs, molecular formula C60(OH)24) may help alleviate drought stress by serving as an additional intercellular water supply. Specifically, FNPs are able to penetrate plant leaf and root tissues, where they bind water in various cell compartments. This hydroscopic activity suggests that FNPs could be beneficial in plants. The aim of the present study was to analyse the influence of FNPs on sugar beet plants exposed to drought stress...
2016: PloS One
Ekaterina A Khakina, Ol'ga A Kraevaya, Maria L Popova, Alexander S Peregudov, Sergey I Troyanov, Alexander V Chernyak, Vyacheslav M Martynenko, Alexander V Kulikov, Dominique Schols, Pavel A Troshin
We report novel synthetic routes for facile preparation of highly functionalized fullerene derivatives C60(OR)5X (X = H, Cl, Br), C60(OR)4O and C60(OR)2 from chlorofullerene C60Cl6. The first water-soluble fullerene compound bearing residues of 3-oxypropanoic acid demonstrated a potent anti-HIV activity.
November 10, 2016: Organic & Biomolecular Chemistry
Sinosh Skariyachan, Asma Parveen, Shruti Garka
Salmonella typhi, a Gram negative bacterium, has become multidrug resistant (MDR) to wide classes of antibacterials which necessitate an alarming precaution. This study focuses on the binding potential and therapeutic insight of Nano-Fullerene C60 towards virulent targets of Salmonella typhi by computational prediction and preliminary in vitro assays. The clinical isolates of Salmonella typhi were collected and antibiotic susceptibility profiles were assessed. The drug targets of pathogen were selected by rigorous literature survey and gene network analysis by various metabolic network resources...
November 6, 2016: Journal of Biomolecular Structure & Dynamics
Li-Hua Gan, Rui Wu, Jian-Lei Tian, Joseph Clarke, Christopher Gibson, Patrick W Fowler
An increasing number of observations show that non-classical isomers may play an important role in the formation of fullerenes and their exo- and endo-derivatives. A quantum-mechanical study of all classical isomers of C58 , C60 , and C62 , and all non-classical isomers with at most one square or heptagonal face, was carried out. Calculations at the B3LYP/6-31G* level show that the favored isomers of C58 , C60 , and C62 have closely related structures and suggest plausible inter-conversion and growth pathways among low-energy isomers...
November 4, 2016: Journal of Computational Chemistry
Mariana Seke, Danijela Petrovic, Aleksandar Djordjevic, Danica Jovic, Milica Labudovic Borovic, Zdenko Kanacki, Milan Jankovic
Fullerenol (C60(OH)24) is present in aqueous solutions in the form of polyanion nanoparticles with particles' size distribution within the range from 15 to 42 nm. In this research it is assumed that these features could enable fullerenol nanoparticles (FNPs) to bind positively charged molecules like doxorubicin (DOX) and serve as drug carriers. Considering this, fullerenol/doxorubicin nanocomposite (FNP/DOX) is formed and characterized by ultra-performance liquid chromatography tandem mass spectrometry, dynamic light scattering, atomic force microscopy and transmission electron microscopy...
December 2, 2016: Nanotechnology
Kai Ouyang, Ke Dai, Hao Chen, Qiaoyun Huang, Chunhui Gao, Peng Cai
Interest has grown in developing safe and high-performance photocatalysts based on metal-free materials for disinfection of bacterial pathogens under visible light irradiation. In this paper, the C60/C3N4 and C70/C3N4 hybrids were synthesized by a hydrothermal method, and characterized by X-ray diffraction (XRD), UV-vis diffuse reflection spectroscopy (UV-vis DRS), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and high revolution transmission electron microscope (HRTEM)...
October 31, 2016: Ecotoxicology and Environmental Safety
J A Teprovich, A L Washington, J Dixon, P A Ward, J H Christian, B Peters, J Zhou, S Giri, D N Sharp, J A Velten, R N Compton, P Jena, R Zidan
Herein the photophysical properties of hydrogenated fullerenes (fulleranes) synthesized by direct hydrogenation utilizing hydrogen pressure (100 bar) and elevated temperatures (350 °C) are compared to the fulleranes C60H18 and C60H36 synthesized by amine reduction and the Birch reduction, respectively. Through spectroscopic measurements and density functional theory (DFT) calculations of the HOMO-LUMO gaps of C60Hx (0 ≤ x ≤ 60), we show that hydrogenation significantly affects the electronic structure of C60 by decreasing conjugation and increasing sp(3) hybridization...
November 1, 2016: Nanoscale
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