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Fullerene C60

Florent Calvo, Ersin Yurtsever, Adem Tekin
The interaction between hydrogen and carbonaceous nanostructures is of fundamental interest in various areas of physical chemistry. In this contribution we have revisited the physisorption of hydrogen molecules and H2 clusters on fullerenes, following a first-principles approach in which the interaction is quantitatively evaluated for the C20 system using high-level electronic structure methods. Relative to coupled cluster data at the level of single, double, and perturbative triple excitations [CCSD(T)] taken as benchmark, the results for rotationally averaged physisorbed H2 show a good performance of MP2 variants and symmetry-adapted perturbation theory (SAPT), but significant deviations and basis set convergence issues are found for dispersion-corrected density functional theory (DFT)...
February 16, 2018: Journal of Physical Chemistry. A
Papri Chakraborty, Abhijit Nag, Ganesan Paramasivam, Ganapati Natarajan, Thalappil Pradeep
We report the formation of supramolecular adducts between monolayer-protected noble metal nanoclusters and fullerenes, specifically focussing on a well-known silver cluster, [Ag29(BDT)12]3-, where BDT is 1,3-benzene dithiol. We demonstrate that C60 molecules link with the cluster at specific locations and protect the fragile cluster core, enhancing the stability of the cluster. A combination of studies including UV-vis, high-resolution electrospray ionization mass spectrometry (ESI MS), collision-induced dissociation (CID), and nuclear magnetic resonance (NMR) spectroscopy revealed structural details of the fullerene-functionalized clusters, [Ag29(BDT)12(C60)n]3- (n=1-9)...
February 14, 2018: ACS Nano
Adam Jaros, Zahra Badri, Pankaj Lochan Bora, Esmaeil Farajpour Bonab, Radek Marek, Michal Straka, Cina Foroutan-Nejad
A recent study (Sci. Adv. 2017, 3, e1602833) has shown that FH…OH2 hydrogen bond in a HF·H2O pair substantially shortens and the H-F bond elongates upon encapsulation of the cluster in C70 fullerene. This has been attributed to compression of the HF·H2O pair inside the cavity of C70. Here we present theoretical evidence that the effect is not caused by a mere compression of the H2O·HF pair but it is related to a strong lone-pair-π (LP-π) bonding with the fullerene cage. To support this argument, a systematic electronic structure study of selected small molecules (HF, H2O, and NH3) and their pairs enclosed in fullerene cages (C60, C70, and C90) has been performed...
February 12, 2018: Chemistry: a European Journal
Zemfira S Kinzyabaeva, Glus L Sharipov
A novel ultrasonic-mediated approach to the synthesis of 1,9-dihydro[C60-Ih][5,6](1,4-dioxano)fullerene based on the heterogeneous reaction of fullerene with α-diols and NaOH has been developed. It allows producing the fullerene derivatives with high yields and selectivity.
April 2018: Ultrasonics Sonochemistry
Hirotomo Nishihara, Tomoya Simura, Takashi Kyotani
Enhanced hydrogen spillover on molecular fullerene C60, which represents extremely curved graphene sheets, is experimentally demonstrated around ambient temperature. Since the spillover hydrogen is strongly attracted by C60, the increase of C60 mass can be directly confirmed by mass spectroscopy.
February 9, 2018: Chemical Communications: Chem Comm
Yongxian Wan, Lili Xu, Naiqiang Zhuo, Xiaobo Lu
Reports have indicated that warfarin is the most widely prescribed anticoagulant. However, traditionally prescribed doses for each patient may be too low or too high. The therapeutic effect is often hindered by a lack of evidence-based medical information. Herein, our aim is to provide this information. To accomplish this challenge, we report the development of a novel assay based on biotinylated tetrahedral DNA as a capture probe and fullerene (C60)-based nanomaterial as a redox probe using an ultrasensitivity assay with the Vitamin K epoxide reductase complex, subunit 1 (VKORC1)...
June 7, 2018: Analytica Chimica Acta
Sara Yavari, Amirhossein Malakahmad, Nasiman B Sapari, Saba Yavari
Phytoremediation has been applied as a promising and cost-effective technique for removing nutrient pollutants from wastewater. In this study, the effect of fullerene C60 was assessed on enhancing the phytoremediation efficiency of teak plants over a period of 1 month. Teak plants were supplied with fullerene C60 (0, 25, or 50 mg L-1) and fed daily with two types of urea plant wastewater (with and without adding optimum ratio of phosphorus and potassium). The required volume of wastewater by the teak plants, nitrogen removal percentage, plant growth parameters (plant height, number of leaves, leaf surface area, and dry biomass), and nutrient content was recorded throughout the study...
February 7, 2018: Environmental Science and Pollution Research International
Ouissam El Bakouri, Marc Garcia-Borràs, Rosa M Girón, Salvatore Filippone, Nazario Martín, Miquel Solà
Controlling the regioselectivity in the exohedral functionalization of fullerenes and endohedral metallofullerenes is essential to produce specific desired fullerene derivatives. In this work, using density functional theory (DFT) calculations, we show that the regioselectivity of the Diels-Alder (DA) cycloaddition of cyclopentadiene to 2S+1C60 changes from the usual [6,6] addition in the singlet ground state to the [5,6] attack in high spin states of C60. Changes in the aromaticity of the five- and six-membered rings when going from singlet to high spin C60 provide a rationale to understand this regioselectivity change...
February 8, 2018: Physical Chemistry Chemical Physics: PCCP
Agnieszka Borowik, Yuriy Prylutskyy, Łukasz Kawelski, Olena Kyzyma, Leonid Bulavin, Oleksandr Ivankov, Vsevolod Cherepanov, Dariusz Wyrzykowski, Rajmund Kaźmierkiewicz, Grzegorz Gołuński, Anna Woziwodzka, Maxim Evstigneev, Uwe Ritter, Jacek Piosik
C60 fullerene is reported to directly interact with biomolecules, such as aromatic mutagens or anticancer drugs. Therefore, it is extensively studied for its potential application in the fields of drug delivery and chemoprevention. Understanding the nature of fullerene-drugs interactions might contribute to optimization and modification of the existing chemotherapy systems. Possible interactions between ICR-191, a model acridine mutagen, with well-established biophysical properties and mutagenic activity, and C60 fullerene aqueous solution were investigated by broad range of biophysical methods, such as Dynamic Light Scattering, Isothermal Titration Calorimetry, and Atomic Force Microscopy...
February 3, 2018: Colloids and Surfaces. B, Biointerfaces
Dazhuang Xu, Meiying Liu, Qiang Huang, Junyu Chen, Hongye Huang, Fengjie Deng, Jianwen Tian, Yuanqing Wen, Xiaoyong Zhang, Yen Wei
Recently, fullerene (C60) and its derivatives have been widely explored for many applications owing to their enriched physical and chemical properties. Specifically, the synthesis and biomedical applications of fluorescent C60 have been extensively investigated previously. However, the preparation of polymer-functionalized fluorescent C60 has not been reported thus far. In this study, water-dispersible fluorescent C60 polymer composites were successfully synthesized through the combination of the thiol-ene click reaction and subsequent ring-opening polymerization...
January 30, 2018: Journal of Colloid and Interface Science
Xiaolei Zhu, Sulong Xiao, Demin Zhou, Matthieu Sollogoub, Yongmin Zhang
The most common fullerene member C60 displays many biological applications, such as, anticancer, human immunodeficiency virus and hepatitis C virus inhibitors, O2 uptake inhibitor and vectors for drug and DNA. Nevertheless, the innate hydrophobicity of C60 constrains its further development. We introduced cyclodextrins to enhance the water-solubility of C60. Nine cyclodextrin-C60 conjugates, including seven α-cyclodextrin-C60 conjugates and two γ-cyclodextrin-C60 conjugates, were designed and synthesized...
February 1, 2018: European Journal of Medicinal Chemistry
Yanyan Liu, Jianjie Fu, Wenxiao Pan, Qiao Xue, Xian Liu, Aiqian Zhang
The studies on the human toxicity of nanoparticles (NPs) are far behind the rapid development of engineered functionalized NPs. Fullerene has been widely used as drug carrier skeleton due to its reported low risk. However, different from other kinds of NPs, fullerene-based NPs (C60 NPs) have been found to have an anticoagulation effect, although the potential target is still unknown. In the study, both experimental and computational methods were adopted to gain mechanistic insight into the modulation of thrombin activity by nine kinds of C60 NPs with diverse surface chemistry properties...
January 2018: Journal of Environmental Sciences (China)
Tihomir Kovač, Bojan Šarkanj, Tomislav Klapec, Ivana Borišev, Marija Kovač, Ante Nevistić, Ivica Strelec
Increased interest in fullerene C60 and derivatives in recent years implies an intensification of their environmental spread. Yet, the potential risks for living organisms are largely unknown, including the interaction of C60 with fungal organisms. This may be especially relevant for mycotoxigenic fungi since C60 may both scavenge and produce reactive oxygen species (ROS), and oxidative stress induces mycotoxin production in fungi. Therefore, this study examined effects of environmentally plausible concentrations of C60 (0, 10, 50, and 100 ng/mL) on Aspergillus flavus growth and aflatoxin production in culture media...
February 5, 2018: AMB Express
Sheng-Li Wu, Xiang Gao
A novel type of fullerene derivatives, [60]fullerothiazolidinethiones (2), were obtained from the copper-catalyzed aerobic oxidative reaction of C60 with aliphatic primary amines and CS2 in 4:1 v/v DMF and o-DCB. The obtained products were fully characterized with the X-ray single crystal diffraction and spectroscopic methods. Control experiment with maleic anhydride, an analogue to C60, also afforded thiazolidinethione product, but via a mechanism different from that of C60 judging from the structure difference between the two types of thiazolidinethione compounds, demonstrating the unique reactivity of C60...
January 29, 2018: Journal of Organic Chemistry
Rinku Saran, Richard J Curry
Visible spectrum photodetector devices fabricated using molecular crystals of carbon C60 are reported. The devices operate efficiently, extending over and beyond the full visible light spectrum (300-710 nm) with a bias voltage tunable responsivity of 4 mA-0.5 mA W-1 . Across this range of wavelengths, the noise equivalent power of these devices remains below 102 nW Hz-1/2 , providing a detectivity of 107 Jones. The noise current in these devices is found to have a strong dependence on both bias voltage and frequency, varying by 4 orders of magnitude from 1 nA Hz-1/2 to 0...
January 19, 2018: Small
Kun Cai, Li-Kui Yang, Jiao Shi, Qing-Hua Qin
For a resonator-based nano-balance, the capability of capturing a nanoparticle is essential for it to measure the mass of the particle. In the present study, a clamped-clamped nanobeam from a Boron-Nitride and Carbon (BNC) nanotube acts as the nano-balance, and a fullerene, e.g., C60, is chosen as the particle, and the capturing capability is quantitatively estimated by the minimal escape velocity (MEV) of the fullerene from the nanobeam after collision. When centrally colliding with the nanobeam, the escape of fullerene depends on both incidence of fullerene and temperature of the system...
January 17, 2018: Scientific Reports
Quinn Burlingame, Caleb Coburn, Xiaozhou Che, Anurag Panda, Yue Qu, Stephen R Forrest
The unique properties of organic semiconductors, such as flexibility and lightness, are increasingly important for information displays, lighting and energy generation. But organics suffer from both static and dynamic disorder, and this can lead to variable-range carrier hopping, which results in notoriously poor electrical properties, with low electron and hole mobilities and correspondingly short charge-diffusion lengths of less than a micrometre. Here we demonstrate a photoactive (light-responsive) organic heterostructure comprising a thin fullerene channel sandwiched between an electron-blocking layer and a blended donor:C70 fullerene heterojunction that generates charges by dissociating excitons...
January 18, 2018: Nature
Mayuri Vilas Ausekar, Ravi Madhukar Mawale, Pavel Pazdera, Josef Havel
The formation of W x O y+●/-● clusters in the gas phase was studied by laser desorption ionization (LDI) and matrix assisted laser desorption ionization (MALDI) of solid WO3. LDI produced (WO3) n+ ●/- ● (n = 1-7) clusters. In MALDI, when using nano-diamonds (NDs), graphene oxide (GO), or fullerene (C60) matrices, higher mass clusters were generated. In addition to (WO3) n-● clusters, oxygen-rich or -deficient species were found in both LDI and MALDI (with the total number of clusters exceeding one hundred ≈ 137)...
January 16, 2018: Journal of the American Society for Mass Spectrometry
Jian Guan, Xiongwu Zhong, Xiang Chen, Xianjun Zhu, Panlong Li, Jianhua Wu, Yalin Lu, Yan Yu, Shangfeng Yang
Porous carbon and nanocarbons have been extensively applied as anode materials for high-energy density lithium-ion batteries (LIBs). However, as another representative nanocarbon, fullerenes, such as C60, have been scarcely utilized in LIBs because of their poor electrochemical reversibility. Herein, we designed a novel C60-embedded nitrogen-doped microporous carbon material (denoted as C60@N-MPC), which was derived from a zeolitic imidazolate framework-8 (ZIF-8) precursor, demonstrating its promising application as a superior anode material for LIB...
January 17, 2018: Nanoscale
Timothy A Barendt, Ilija Rašović, Maria A Lebedeva, George A Farrow, Alexander Auty, Dimitri Chekulaev, Igor V Sazanovich, Julia A Weinstein, Kyriakos Porfyrakis, Paul D Beer
By addressing the challenge of controlling molecular motion, mechanically interlocked molecular machines are primed for a variety of applications in the field of nanotechnology. Specifically, the designed manipulation of communication pathways between electron donor and acceptor moieties that are strategically integrated into dynamic photoactive rotaxanes and catenanes may lead to efficient artificial photosynthetic devices. In this pursuit, a novel [3]rotaxane molecular shuttle consisting of a four station bis-naphthalene diimide (NDI) and central C60 fullerene bis-triazolium axle component and two mechanically bonded ferrocenyl functionalized -isophthalamide anion binding site-containing macrocycles is constructed using an anion template synthetic methodology...
January 16, 2018: Journal of the American Chemical Society
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