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Fullerene C60

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
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
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...
January 30, 2017: Journal of Computational Chemistry
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
Eva Gorrochategui, Junyi Li, Nigel J Fullwood, Guang-Guo Ying, Meiping Tian, Li Cui, Heqing Shen, Sílvia Lacorte, Romà Tauler, Francis L Martin
With rising environmental levels of carbon-based nanoparticles (CBNs), there is an urgent need to develop an understanding of their biological effects in order to generate appropriate risk assessment strategies. Herein, we exposed zebrafish via their diet to one of four different CBNs: C60 fullerene (C60), single-walled carbon nanotubes (SWCNT), short multi-walled carbon nanotubes (MWCNTs) or long MWCNTs. Lipid alterations in male and female zebrafish were explored post-exposure in three target tissues (brain, gonads and gastrointestinal tract) using 'omic' procedures based in liquid chromatography coupled with mass spectrometry (LC-MS) data files...
October 26, 2016: Mutagenesis
Patrick S Bäuerlein, Erik Emke, Peter Tromp, Jan A M H Hofman, Andrea Carboni, Ferry Schooneman, Pim de Voogt, Annemarie P van Wezel
Only very limited information is available on measured environmental concentrations of nanoparticles. In this study, several environmental compartments in The Netherlands were probed for the presence of nanoparticles. Different types of water were screened for the presence of inorganic (Ag, Au, TiO2) and organic nanoparticles (C60, C70, [6,6]-phenyl-C61-butyric acid octyl ester, [6,6]-phenyl-C61-butyric acid butyl ester, [6,6]-phenyl-C61-butyric acid methyl ester, [6,6]-bis-phenyl-C61-butyric acid methyl ester, [6,6]-phenyl-C71-butyric acid methyl ester, [6,6]-thienyl-C61-butyric acid methyl ester)...
October 24, 2016: Science of the Total Environment
Guillaume Bastien, Paul I Dron, Manon Vincent, David Canevet, Magali Allain, Sébastien Goeb, Marc Sallé
The favorable spatial organization imposed by the square planar 4,4'-di(tert-butyl)-2,2'-bipyridine (dbbpy) platinum(II) complex associated with the electronic and shape complementarity of π-extended tetrathiafulvalene derivatives (exTTF) toward fullerenes is usefully exploited to construct molecular tweezers, which display good affinities for C60.
October 27, 2016: Organic Letters
Ana Martínez
In this investigation, the feasibility of functionalizing fullerene and bismullene with Bi and C as intruders is theoretically explored. The systems analyzed are C60-xBix (with x = 0-10, fullerene-like) and Bi60-yCy (with y = 0-10, bismullene-like). Optimized geometries, reactivity indexes, and highest occupied molecular orbital to lowest unoccupied molecular orbital (HOMO-LUMO) gaps (for analyzing the potential application of these molecules as materials for solar cells) are reported. The most stable structures of bismullene-like systems have cage geometries...
October 25, 2016: Journal of Physical Chemistry. A
Masahiro Shibuta, Kazuo Yamamoto, Tsutomu Ohta, Masato Nakaya, Toyoaki Eguchi, Atsushi Nakajima
Time-resolved two-photon photoemission (TR-2PPE) spectroscopy is employed to probe the electronic states of a C60 fullerene film formed on highly oriented pyrolytic graphite (HOPG), acting as a model two-dimensional (2D) material for multi-layered graphene. Owing to the in-plane sp(2)-hybridized nature of the HOPG, the TR-2PPE spectra reveal the energetics and dynamics of photocarriers in the C60 film: after hot excitons are nascently formed in C60 via intramolecular excitation by a pump photon, they dissociate into photocarriers of free electrons and the corresponding holes, and the electrons are subsequently detected by a probe photon as photoelectrons...
October 24, 2016: Scientific Reports
Ruth Dorel, Paula de Mendoza, Pilar Calleja, Sergio Pascual, Esther González-Cantalapiedra, Noemí Cabello, Antonio M Echavarren
The synthesis of a new C3v -symmetric crushed fullerene C60H24 (5) has been accomplished in three steps from truxene through sixfold palladium-catalyzed intramolecular arylation of a syn-trialkylated truxene precursor. Laser irradiation of 5 induces cyclodehydrogenation processes that result in the formation of C60, as detected by LDI-MS.
July 2016: European Journal of Organic Chemistry
Mitsuhiro Ueda, Tsukasa Sakaguchi, Miho Hayama, Takafumi Nakagawa, Yutaka Matsuo, Aiko Munechika, Shunsuke Yoshida, Hiroshi Yasuda, Ilhyong Ryu
The intermolecular [2+2] cycloaddition of allenol esters, which were in situ generated by Pt-catalyzed 1,3-acyloxy migration of propargylic esters, with C60 proceeded regio- and stereo-selectively to give a novel class of alkylidenecyclobutane-annulated fullerenes. The cyclobutane-annulated fullerene derivatives have high-lying LUMO levels, which gave a high open-circuit voltage in organic solar cell applications. The observed high electron mobility provided a good fill factor compared with the PCBM-based devices...
October 21, 2016: Chemical Communications: Chem Comm
Hai-Tao Yang, Yi-Chen Tan, Jie Ge, He Wu, Jia-Xing Li, Yang Yang, Xiao-Qiang Sun, Chun-Bao Miao
The thermal reaction of C60 with aromatic aldehydes and inactive secondary amines for the stereoselective synthesis of trans-1,2,5-trisubstitutedfulleropyrrolidines has been developed. Moreover, when an ortho-hydroxyl group was located at the phenyl ring of the generated fulleropyrrolidines, the Cu(OAc)2-promoted regioselective intramolecular C-O coupling reaction occurred to generate unique tricycles-fused fullerene derivatives.
October 21, 2016: Journal of Organic Chemistry
Cheng-Bo Tian, Edison Castro, Tan Wang, German Betancourt, Gloria Rodriguez, Luis A Echegoyen
Inverted planar structure perovskite solar cells (PSCs), due to their low temperature precessing and lack of hysteretic problems, are attracting increased attention by researchers around the world. Fullerene derivatives are the most widely used electron transport materials (ETM) in inverted planar perovskite solar cells, especially [6,6]-phenyl-C61-butyric acid methylester (PC61BM), which exhibits very good performance. However, to the best of our knowledge, the influence of the adducts on the fullerene-based PSCs performance has not been fully explored to date...
October 21, 2016: ACS Applied Materials & Interfaces
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