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Fullerene C60

Xiangnan Sun, Saül Vélez, Ainhoa Atxabal, Amilcar Bedoya-Pinto, Subir Parui, Xiangwei Zhu, Roger Llopis, Fèlix Casanova, Luis E Hueso
We fabricated a C60 fullerene-based molecular spin-photovoltaic device that integrates a photovoltaic response with the spin transport across the molecular layer. The photovoltaic response can be modified under the application of a small magnetic field, with a magnetophotovoltage of up to 5% at room temperature. Device functionalities include a magnetic current inverter and the presence of diverging magnetocurrent at certain illumination levels that could be useful for sensing. Completely spin-polarized currents can be created by balancing the external partially spin-polarized injection with the photogenerated carriers...
August 18, 2017: Science
Michael K Schuhmann, Felix Fluri
Fullerenols, water-soluble C60-fullerene derivatives, have been shown to exert neuroprotective effects in vitro and in vivo, most likely due to their capability to scavenge free radicals. However, little is known about the effects of fullerenols on the blood-brain barrier (BBB), especially on cerebral endothelial cells under inflammatory conditions. Here, we investigated whether the treatment of primary mouse brain microvascular endothelial cells with fullerenols impacts basal and inflammatory blood-brain barrier (BBB) properties in vitro...
August 17, 2017: International Journal of Molecular Sciences
Oleg N Starovoytov, Pengzhi Zhang, Piotr Cieplak, Margaret S Cheung
The light-harvesting molecular triad consisting of carotenoid polyene (C), diaryl-porphyrin (P) and pyrrole-fullerene (C60) is a donor-acceptor molecule capable of absorbing incident light in the visible range. Its ability to convert solar energy to electrical excitation and charge separation energy suggests a great potential in real-world applications. The ensemble of its conformations under ambient conditions varies widely according to its electronic state. In previous work, we applied a non-polarizable model to study the conformational distribution of the molecular triad in the ground and charge separated states...
August 17, 2017: Physical Chemistry Chemical Physics: PCCP
Mengjun Chen, Baoyong Liu, Xiaolin Wang, Yanxu Fu, Jingcheng Hao, Hongguang Li
The formation of lamellar liquid crystals (LLCs) has been demonstrated in a few salt-free catanionic surfactant systems and their properties have been well documented. However, examples of their combination with other materials are relatively rare. Herein, a salt-free zero-charged catanionic surfactant with low chain melting temperature was prepared by mixing equimolar tetradecyltrimethylammonium oxide (TTAOH) and oleic acid (OA) in water, and its concentration-dependent aggregate transition was investigated...
August 16, 2017: Soft Matter
Yayun Peng, Dongzhi Yang, Weifei Lu, Xiongwei Hu, Hao Hong, Ting Cai
Various carbonaceous nanomaterials, including fullerene, carbon nanotube, graphene, and carbon dots, have attracted increasing attention during past decades for their potential applications in biological imaging and therapy. In this study, we have developed a fullerene-based tumor-targeted positron emission tomography (PET) imaging probe. Water-soluble functionalized C60 conjugates were radio-labeled with (64)Cu and modified with cyclo (Arg-Gly-Asp) peptides (cRGD) for targeting of integrin αvβ3 in glioblastoma...
August 8, 2017: Acta Biomaterialia
Baharan Karamzadeh, Thomas Eaton, David Muñoz Torres, Izabela Cebula, Marcel Mayor, Manfred Buck
Studying the stepwise assembly of a four component hybrid structure on Au(111)/mica, the pores of a hydrogen bonded bimolecular network of 3,4,9,10-perylenetetracarboxylic diimide (PTCDI) and 1,3,5-triazine-2,4,6-triamine (melamine) were partitioned by three and four-armed molecules based on oligo([biphenyl]-4-ylethynyl)benzene, followed by the templated adsorption of either C60 fullerene or adamantane thiol molecules. The characterisation by ambient scanning tunneling microscopy (STM) reveals that the pore modifiers exhibit dynamics which pronouncedly depend on the molecular structure...
August 7, 2017: Faraday Discussions
Bing Yu, Tao Xu, Hailin Cong, Qiaohong Peng, Muhammad Usman
By using the two-step activated swelling method, monodisperse porous poly(styrene-divinylbenzene) (P(S-DVB)) microparticles were successfully synthesized. The influence of porogens, swelling temperatures and crosslinking agents on the porosity of porous microparticles was carefully investigated. Porous P(S-DVB) microparticles were used as a packing material for high performance liquid chromatography (HPLC). Several benzene analogues were effectively separated in a stainless-steel column as short as 75 mm due to the high specific surface area of the porous microparticles...
April 22, 2017: Materials
Qinggang Tan, Yanyan Chu, Min Bie, Zihao Wang, Xiaoyan Xu
Biopolymer/inorganic material nanocomposites have attracted increasing interest as nanocarriers for delivering drugs owing to the combined advantages of both biopolymer and inorganic materials. Here, amphiphilic block copolymer/fullerene nanocomposites were prepared as nanocarriers for hydrophobic drug by incorporation of C60 in the core of methoxy polyethylene glycol-poly(d,l-lactic acid) (MPEG-PDLLA) micelles. The structure and morphology of MPEG-PDLLA/C60 nanocomposites were characterized using transmission electron microscopy, dynamic light scattering, high-resolution transmission electron microscopy, and thermal gravimetric analysis...
February 16, 2017: Materials
Andrew J Musser, Prakash P Neelakandan, Johannes M Richter, Hirotaka Mori, Richard H Friend, Jonathan R Nitschke
We have prepared a series of M(II)4L6 tetrahedral cages containing one or the other of two distinct BODIPY moieties, as well as mixed cages that contain both BODIPY chromophores. The photophysical properties of these cages and their fullerene-encapsulated adducts were studied in depth. Upon cage formation, the charge-transfer character exhibited by the bis(aminophenyl)-BODIPY subcomponents disappeared. Strong excitonic interactions were instead observed between at least two BODIPY chromophores along the edges of the cages, arising from the electronic delocalization through the metal centers...
August 15, 2017: Journal of the American Chemical Society
Jean-Nicolas Tisserant, Tino Wagner, Patrick A Reissner, Hannes Beyer, Yuriy Fedoryshyn, Andreas Stemmer
Carbon materials promise a revolution in optoelectronics, medical applications, and sensing provided that their morphology can be controlled down to the nanometer scale. Nanoporous materials are particularly appealing as they offer a drastically enlarged interfacial area compared to the corresponding planar materials. Entire fields such as organic solar cells, catalysis, or sensing may profit from an enlarged interface and facilitated molecular interaction between a carbon material and the environment. Nanoporous fullerene thin films obtained by the deposition of suspended nanoclusters of fullerene were already reported but suffered from the limitation of the size of these particles to over 100 nm...
August 16, 2017: ACS Applied Materials & Interfaces
L V Tat'yanenko, E A Khakina, A V Zhilenkov, P A Troshin, O V Dobrokhotova, I Yu Pikhteleva, A I Kotel'nikov
We studied the effects of new water-soluble polysubstituted fullerene C60 (PFD) derivatives on activity of Ca(2+)-Mg(2+) ATPase of the sarcoplasmic reticulum and cGMP phosphodiesterase. All examined fullerene derivatives inhibited activity of both enzymes. For instance, PFD-I, PFD-II, PFD-III, PFD-V, PFD-IX, PFD-X, and PFD-XI in a concentration of 5×10(-5) M completely inhibited hydrolytic and transport functions of Ca(2+)-ATPase. These compounds in a concentration of 5×10(-6) suppressed active transport of calcium ions by 51±5, 77±8, 52±5, 52±5, 100±10, 80±8, and 100±10%, respectively, and inhibited ATP hydrolysis by 31±3, 78±8, 18±2, 29±3, 78±8, 63±7, and 73±9%, respectively, uncoupling the hydrolytic and transport functions of the enzyme...
July 25, 2017: Bulletin of Experimental Biology and Medicine
Felix J Rizzuto, Daniel M Wood, Tanya K Ronson, Jonathan R Nitschke
A porphyrin-edged metal-organic tetrahedron forms host-guest complexes containing 1-4 equiv of fullerene C60, depending on the solvent employed. The molecules of C60 were bound anticooperatively within well-defined pockets; an X-ray crystal structure of three fullerenes inside the tetrahedron was obtained. Electrochemical measurements revealed that the electron-accepting properties of the fullerenes inside the capsules were altered depending on the mode of encapsulation. The binding of multiple fullerenes was observed to increase the electron affinity of the overall cluster, providing a noncovalent method of tuning fullerene electronics...
August 16, 2017: Journal of the American Chemical Society
Kouta Sugikawa, Kentaro Kozawa, Masafumi Ueda, Atsushi Ikeda
Stepwise growth of fullerene nanoparticles (nCx; x=60 or 70) was performed through guest exchange of a γ-cyclodextrin (γ-CD) complex. Fullerenes bicapped by γ-CD were mixed with presynthesized nCx in the presence of polyethylene glycol (PEG) in water. Fullerenes expelled from the γ-CD hosts by PEG were piled on the original nCx, resulting in the growth of nCx. This process could be repeated and the size of nCx increased according to the number of growth steps. The growth of fullerene nanoparticles was confirmed by UV/Vis absorption spectroscopy, dynamic light scattering measurements, and transmission electron microscopy observations...
July 25, 2017: Chemistry: a European Journal
Supriya K Chaudhuri, Rajat K Chaudhuri, Prasanta K Mukherjee, Sudip Chattopadhyay
A relativistic study of spectroscopic properties of the endohedral fullerenes Ng@C60(q) (where Ng = He, Ne and q=0,±1,±2 are the charges) associated with the C60 molecule has been done using the equation of motion coupled cluster (EOM-CC) methodology. Specific properties estimated are the transition energies, dipole oscillator strengths, and transition probabilities for the low-lying excitations 1s(2)((1)S0) → 1snp ((1)P1) (n = 2, 3, 4) for He@C60(q) and 1s(2)2s(2)2p(6) ((1)S0) → 1s(2)2s(2)2p(5)ns∕nd ((1)P1) (n = 3, 4) for Ne@C60(q), which have been compared with those for the isolated atom to depict the confinement effect of the host molecule on the encapsulated atom...
July 21, 2017: Journal of Chemical Physics
Zong-Jun Li, Sisi Wang, Shu-Hui Li, Tao Sun, Wei-Wei Yang, Kazutaka Shoyama, Takafumi Nakagawa, Il Jeon, Xiaoniu Yang, Yutaka Matsuo, Xiang Gao
C60 o-quinodimethane bisadducts [C60(QM)2] are promising electron acceptors for bulk heterojuction (BHJ) organic solar cells (OSCs). However, previous production of C60(QM)2 often resulted in excessive regioisomers, which were difficult to purify and might consequently obscure the structure-performance study of the organofullerene acceptors. Herein, the electrosynthesis of C60(QM)2 is reported. The reaction exhibits a strong regiocontrol with generation of fewer regioisomers. Pure regioisomers of cis-2, trans-3, and e C60(QM)2 are obtained, and the structures are solved with single-crystal X-ray diffraction...
July 31, 2017: Journal of Organic Chemistry
Mohammad Teimouri, Muhammad Junaid, Abbas Khan, Houjin Zhang
Helicobacter pylori (H. pylori) is a human pathogen associated with acute gastritis and peptic ulcer. The MurA enzyme is an important drug target for the identification of ligands with improved efficacy and acceptable pharmaco-kinetic properties. We developed a homology model of H. Pylori MurA followed by refinement and molecular dynamics (MD) simulations. A total of 16 C60-derivatives were docked and its docking score were compared. Some of the known inhibitors were also similarly characterized and compared...
2017: Bioinformation
Mahmoud Roushani, Faezeh Shahdost-Fard, Azadeh Azadbakht
Based on the unique characteristics of the combination of fullerene and gold nanoparticles, we successfully designed a new and facile nanocomposite (Au@nano-C60) to fabricate an aptasensor for the ultra-sensitive and selective detection of TNT. The gold nanoparticles decorated fullerene onto a glassy carbon electrode was prepared using an electrochemical method by the in situ generation of Au nanoparticles onto the surface of the glassy carbon electrode modified with activated fullerene. Successively, the NH2-Apt as a receptor molecule of 2,4,6-Trinitrotoluen was covalently attached onto the modified electrode surface with the resultant nanocomposite...
October 1, 2017: Analytical Biochemistry
Albert Artigas, Agustí Lledó, Anna Pla-Quintana, Anna Roglans, Miquel Solà
The functionalization of fullerenes helps modulating their electronic and physicochemical properties, generating fullerene derivatives with promising features for practical applications. In this work, we use the density functional theory to explore the attachment of a cyclohexadiene ring to C60 via a Rh-catalyzed intermolecular [2+2+2] cycloaddition of C60 and acetylene. We analyze all potential reaction paths to conclude that the [2+2+2] cycloaddition of C60 and two acetylene molecules catalyzed by RhCl(PPh3)3 yielding a cyclohexadiene ring fused to a [6,6] bond of C60 is energetically feasible...
July 20, 2017: Chemistry: a European Journal
Xiaohui Lv, Boming Huang, Xiaoshan Zhu, Yuelu Jiang, Baiyang Chen, Yi Tao, Jin Zhou, Zhonghua Cai
The toxicity of fullerene (C60) to Daphnia magna has been a subject with increasing concerns. Nevertheless, the underlying mechanisms are still poorly understood. In the present study, we evaluated various aspects of the toxicological impacts of C60 on daphnia. After a 72-h exposure, the 50% effective concentration of C60 was 14.9 mg/L for immobilization, and 16.3 mg/L for mortality. Daphnia exhibited a quick uptake of C60 with a body burden value of 413 μg/g in wet weight in the 1 mg/L C60 treatment group...
July 14, 2017: Water Research
Sheridan Few, Cleaven Chia, Daniel Teo, James Kirkpatrick, Jenny Nelson
Electronic polarisation contributes to the electronic landscape as seen by separating charges in organic materials. The nature of electronic polarisation depends on the polarisability, density, and arrangement of polarisable molecules. In this paper, we introduce a microscopic, coarse-grained model in which we treat each molecule as a polarisable site, and use an array of such polarisable dipoles to calculate the electric field and associated energy of any arrangement of charges in the medium. The model incorporates chemical structure via the molecular polarisability and molecular packing patterns via the structure of the array...
July 11, 2017: Physical Chemistry Chemical Physics: PCCP
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