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Sample records for water-soluble fullerene c60

  1. Water-soluble C60 fullerenes reduce manifestations of acute cholangitis in rats

    Science.gov (United States)

    Kuznietsova, H. M.; Lynchak, O. V.; Dziubenko, N. V.; Osetskyi, V. L.; Ogloblya, O. V.; Prylutskyy, Yu I.; Rybalchenko, V. K.; Ritter, U.; Scharff, P.

    2018-03-01

    Sclerosing cholangitis is the liver disease of uncertain etiology, extremely unfavorable prognosis and lack of effective medication therapy. Therefore, the effect of water-soluble biocompatible C60 fullerenes (C60FAS) on the liver functional state on rat acute-cholangitis model was aimed to be discovered. Acute cholangitis was simulated by single α-naphthyl isothiocyanate (ANIT, 100 mg/kg) per os administration; C60FAS (0.5 mg/kg) was administered either per os or intraperitoneally in 24 and 48 h after ANIT ingestion, and in 72 h the animals were sacrificed. The activities of alanine aminotransferase (ALT), aspartate aminotransferase (AST), alkaline phosphatase (ALP), lactate dehydrogenase (LDH), the total and direct bilirubin, creatinine and urea in the blood serum were determined, and the liver morphological state was assessed. In animals experienced ANIT-induced acute cholangitis, the total and direct bilirubin, creatinine, ALT, AST, ALP and LDH 1.5-4-fold increase were observed, indicating cytolysis of hepatocytes, cholestasis, and renal dysfunction. The features of periductal fibrosis, biliary epithelium atrophy, and portal-portal linking septa formation were detected, confirming the sclerosing cholangitis development. C60FAS promoted to the normalization of direct and total bilirubin levels, the ALT activity and diminution of fibrotic features. In addition, C60FAS intraperitoneal administration also normalized the ALP activity, indicating the attenuation of disease symptoms. However, the AST activity and creatinine level remained unchanged, and the LDH activity even increased, manifesting the partial persistence of cholestasis and renal dysfunction. Thus, the therapeutic application of C60FAS promotes a partial protection of liver against cholangitis.

  2. In-Silico Study Of Water Soluble C60-Fullerene Derivatives And Different Drug Targets

    Directory of Open Access Journals (Sweden)

    Mohammad Teimouri

    2015-08-01

    Full Text Available Fullerene C60 is a unique carbon molecule that adopts a sphere shape. It has been proved that fullerene and some of its derivatives several disease targets. Fullerene itself is insoluble in water. So fullerene application is hindered in medical field. In this study a literature search was performed and all derivatives were collected. The fullerene binding protein previously reported in literature were also retrieved from protein databank. The docking study were performed with fullerene derivatives and its binding proteins. The selected proteins include Voltage-Gated Potassium Channel estrogenic 17beta-hydroxysteroid dehydrogenase and monoclonal anti-progesterone antibody. The binding affinity and binding free energy were computed for these proteins and fullerene derivatives complexes. The binding affinity and binding free energy calculation of the co-crystal ligands were also carried out. The results show the good fitting of fullerene derivatives in the active site of different proteins. The binding affinities and binding free energies of fullerene derivatives are better. The present study gives a detail information about the binding mode of C60 derivatives. The finding will be helpful in fullerene-based drug discovery and facilitate the efforts of fighting many diseases.

  3. Effect of fullerene C(60 on ATPase activity and superprecipitation of skeletal muscle actomyosin

    Directory of Open Access Journals (Sweden)

    K. S. Andreichenko

    2013-04-01

    Full Text Available Creation of new biocompatible nanomaterials, which can exhibit the specific biological effects, is an important complex problem that requires the use of last accomplishments of biotechnology. The effect of pristine water-soluble fullerene C60 on ATPase activity and superprecipitation reaction of rabbit skeletal muscle natural actomyosin has been revealed, namely an increase of actomyosin superprecipitation and Мg2+, Са2+– and K+-ATPase activity by fullerene was investigated. We conclude that this finding offers a real possibility for the regulation of contraction-relaxation of skeletal muscle with fullerene C60.

  4. Competitive photometric enzyme immunoassay for fullerene C60 and its derivatives using a fullerene conjugated to horseradish peroxidase

    International Nuclear Information System (INIS)

    Hendrickson, Olga D.; Smirnova, Natalya I.; Zherdev, Anatoly V.; Dzantiev, Boris B.; Sveshnikov, Peter G.

    2016-01-01

    The article describes a highly sensitive single-step microplate enzyme immunoassay of the ELISA type for fullerene C 60 and its derivatives. Monoclonal anti-fullerene antibodies and a conjugate between fullerene and horseradish peroxidase were used as specific reagents. A direct competitive ELISA was carried out that was based on antibodies immobilized in the well of a microtiter plate, a peroxidase-labeled antigen, and detection via the dye formed from 3,3′,5,5′-tetramethylbenzidine and hydrogen peroxide. Both pristine fullerene C 60 and its water-soluble forms can be determined. The detection limits are 1.5 ng∙mL −1 for fullerene C 60 , and between 0.1 and 1.3 ng∙mL −1 for its derivatives. This ELISA format allows for almost two-fold reduction of the time needed for the assay in comparison to indirect scheme with labeled antibodies. (author)

  5. Highly selective reactions of C(60)Cl(6) with thiols for the synthesis of functionalized [60]fullerene derivatives

    OpenAIRE

    Khakina, Ekaterina A; Yurkova, Anastasiya A; Peregudov, Alexander S; Troyanov, Sergey I; Trush, Vyacheslav V; Vovk, Andrey I; Mumyatov, Alexander V; Martynenko, Vyacheslav M; Balzarini, Jan; Troshin, Pavel A

    2012-01-01

    Chlorofullerene C(60)Cl(6) undergoes highly selective reactions with thiols forming compounds C(60)[SR](5)H with high yields. These reactions open up straightforward synthetic routes to many functionalized fullerene derivatives, e.g. water-soluble compounds showing interesting biological activities.

  6. Facile preparation of amine and amino acid adducts of [60]fullerene using chlorofullerene C60Cl6 as a precursor.

    Science.gov (United States)

    Kornev, Alexey B; Khakina, Ekaterina A; Troyanov, Sergey I; Kushch, Alla A; Peregudov, Alexander; Vasilchenko, Alexey; Deryabin, Dmitry G; Martynenko, Vyacheslav M; Troshin, Pavel A

    2012-06-04

    We report a general synthetic approach to the preparation of highly functionalized amine and amino acid derivatives of [60]fullerene starting from readily available chlorofullerene C(60)Cl(6). The synthesized water-soluble amino acid derivative of C(60) demonstrated pronounced antiviral activity, while the cationic amine-based compound showed strong antibacterial action in vitro.

  7. Affine Fullerene C60 in a GS-Quasigroup

    Directory of Open Access Journals (Sweden)

    Vladimir Volenec

    2014-01-01

    Full Text Available It will be shown that the affine fullerene C60, which is defined as an affine image of buckminsterfullerene C60, can be obtained only by means of the golden section. The concept of the affine fullerene C60 will be constructed in a general GS-quasigroup using the statements about the relationships between affine regular pentagons and affine regular hexagons. The geometrical interpretation of all discovered relations in a general GS-quasigroup will be given in the GS-quasigroup C(1/2(1+5.

  8. Preparation and biodistribution of radiolabeled fullerene C60 nanocrystals

    International Nuclear Information System (INIS)

    Nikolic, Nadezda; Vranjes-Duric, Sanja; Jankovic, Drina; Dokic, Divna; Mirkovic, Marija; Bibic, Natasa; Trajkovic, Vladimir

    2009-01-01

    The present study describes for the first time a procedure for the radiolabeling of fullerene (C 60 ) nanocrystals (nanoC 60 ) with Na 125 I, as well as the biodistribution of radiolabeled nanoC 60 ( 125 I-nanoC 60 ). The solvent exchange method with tetrahydrofuran was used to make colloidal water suspensions of radiolabeled nanoC 60 particles. The radiolabeling procedure with the addition of Na 125 I to tetrahydrofuran during dissolution of C 60 gave a higher radiochemical yield of radiolabeled nanoC 60 particles in comparison to the second option, in which Na 125 I was added after C 60 was dissolved. Using photon correlation spectroscopy and transmission electron microscopy, 125 I-nanoC 60 particles were found to have a crystalline structure and a mean diameter of 200-250 nm. The 125 I-nanoC 60 had a particularly high affinity for human serum albumin, displaying 95% binding efficiency after 1 h. Biodistribution studies of 125 I-nanoC 60 in rats indicated significant differences in tissue accumulation of 125 I-nanoC 60 and the radioactive tracer Na 125 I. The higher accumulation of radiolabeled nanoC 60 was observed in liver and spleen, while accumulation in thyroid, stomach, lungs and intestines was significantly lower in comparison to Na 125 I. In addition to being useful for testing the biological distribution of nanoC 60 , the described radiolabeling procedure might have possible applications in cancer radiotherapy.

  9. Fullerene C60 and graphene photosensibiles for photodynamic virus inactivation

    Science.gov (United States)

    Belousova, I.; Hvorostovsky, A.; Kiselev, V.; Zarubaev, V.; Kiselev, O.; Piotrovsky, L.; Anfimov, P.; Krisko, T.; Muraviova, T.; Rylkov, V.; Starodubzev, A.; Sirotkin, A.; Grishkanich, A.; Kudashev, I.; Kancer, A.; Kustikova, M.; Bykovskaya, E.; Mayurova, A.; Stupnikov, A.; Ruzankina, J.; Afanasyev, M.; Lukyanov, N.; Redka, D.; Paklinov, N.

    2018-02-01

    A solid-phase photosensitizer based on aggregated C60 fullerene and graphene oxide for photodynamic inactivation of pathogens in biological fluids was studied. The most promising technologies of inactivation include the photodynamic effect, which consists in the inactivation of infectious agents by active oxygen forms (including singlet oxygen), formed when light is activated by the photosensitizer introduced into the plasma. Research shows features of solid-phase systems based on graphene and fullerene C60 oxide, which is a combination of an effective inactivating pathogens (for example, influenza viruses) reactive oxygen species formed upon irradiation of the photosensitizer in aqueous and biological fluids, a high photostability fullerene coatings and the possibility of full recovery photosensitizer from the biological environment after the photodynamic action.

  10. Photochemical reduction of water-soluble C60 derivatives (EPR study)

    International Nuclear Information System (INIS)

    Brezova, V.; Stasko, A.; Dvoranova, D.; Asmus, K.D.; Guldi, D.M.

    1999-01-01

    The photochemical reduction of three bis-functionalized C 60 derivatives resulted in the formation of a single radical product, characterized by relatively narrow EPR line (g M = 2.0007, pp < 0.02 mT). In the irradiated aqueous solutions containing L-ascorbic acid, in the addition to the EPR line related to bis-adduct mono-anion, also 6-line EPR spectrum of ascorbyl radical was observed. Consequently, the photoinduced formation of ascorbyl radical was attributed to the intermolecular quenching of fullerenes excited states. (authors)

  11. C60H- an intermediate in the photochemical reduction of C60 fullerene with triethylamine

    International Nuclear Information System (INIS)

    Stasko, A.; Brezova, V.; Neudeck, A.; Bartl, A.; Dunsch, L.

    1999-01-01

    The systematic investigations on the photo reduction of C 60 fullerene and its derivatives using triethylamine and TiO 2 donors, and also other techniques, verified the formation of C 60 .- . Formation of the mono-anion a narrow EPR line (pp A = 0.1 mT) was observed. During a continuous irradiation line A is replaced with line B having g B - 2.0006 and pp B = 0.04 mT which also vanished under prolonged irradiation. But lines A and B repeated after stopping irradiation. This unusual behaviour was re-investigated in analogous EPR-NIR experiments using now a rapid NIR spectrometer. The band at 996 nm was assigned to C 60 H - . The mechanism of C 60 H - formation is discussed

  12. Fulereno[C60]: química e aplicações Fullerene C60: chemistry and applications

    Directory of Open Access Journals (Sweden)

    Leandro José dos Santos

    2010-01-01

    Full Text Available Fullerene chemistry has become a very active research field in the two last decades, largely because of the exceptional properties of the C60 molecule and the variety of fullerene derivatives that appear to be possible. In this review, a general analysis of fullerene C60 reactivity is performed. The principal methods for the covalent modification of this fascinating carbon cage are presented. The prospects of using fullerene derivatives as medicinal drugs and photoactive materials in light converting devices are demonstrated.

  13. Neuronal uptake and intracellular superoxide scavenging of a fullerene (C60)-poly(2-oxazoline)s nanoformulation

    KAUST Repository

    Tong, Jing

    2011-05-01

    Fullerene, the third allotrope of carbon, has been referred to as a "radical sponge" because of its powerful radical scavenging activities. However, the hydrophobicity and toxicity associated with fullerene limits its application as a therapeutic antioxidant. In the present study, we sought to overcome these limitations by generating water-soluble nanoformulations of fullerene (C(60)). Fullerene (C(60)) was formulated with poly(N-vinyl pyrrolidine) (PVP) or poly(2-alkyl-2-oxazoline)s (POx) homopolymer and random copolymer to form nano-complexes. These C(60)-polymer complexes were characterized by UV-vis spectroscopy, infrared spectroscopy (IR), dynamic light scattering (DLS), atomic force microscopy (AFM) and transmission electron microscopy (TEM). Cellular uptake and intracellular distribution of the selected formulations in catecholaminergic (CATH.a) neurons were examined by UV-vis spectroscopy, immunofluorescence and immunogold labeling. Electron paramagnetic resonance (EPR) spectroscopy was used to determine the ability of these C(60)-polymer complexes to scavenge superoxide. Their cytotoxicity was evaluated in three different cell lines. C(60)-POx and C(60)-PVP complexes exhibited similar physicochemical properties and antioxidant activities. C(60)-poly(2-ethyl-2-oxazoline) (PEtOx) complex, but not C(60)-PVP complex, were efficiently taken up by CATH.a neurons and attenuated the increase in intra-neuronal superoxide induced by angiotensin II (Ang II) stimulation. These results show that C(60)-POx complexes are non-toxic, neuronal cell permeable, superoxide scavenging antioxidants that might be promising candidates for the treatment of brain-related diseases associated with increased levels of superoxide.

  14. Fullerene C60 hydroxylated with peracetic acid and its radioprotective effects tested in vivo

    International Nuclear Information System (INIS)

    Zemanova, Eva; Klouda, Karel

    2011-01-01

    A water-soluble C60 derivative (DF) was obtained by reacting C60 fullerene with peracetic acid followed by hydrolysis. The highest DF concentration achieved at room temperature and neutral pH was 443.2 mg/L. TEM and SEM observations and FTIR spectra were interpreted The possibility of DF application as a substance improving resistance to ionizing radiation (6X, linear accelerator, 10-70 Gry) was investigated in vivo using juvenile (2.5 months) Danio rerio without sex selection. A prolonged toxicity test gave evidence that an aqueous DF solution 147 mg/L is not toxic to this fish species in the long run. A radioprotective effect was demonstrated for a five-day exposure to this solution prior to irradiation. The survival times after irradiation with 10 to 70 Gy doses were up to 70% longer. The LD50 values for various times of survival roughly doubled. The effect is preventive rather than curative and is associated with the capability of fullerenes to eliminate free radicals and oxidants formed by radiolysis of water. (orig.)

  15. Effects of carbon nanomaterials fullerene C60 and fullerol C60(OH)18–22 on gills of fish Cyprinus carpio (Cyprinidae) exposed to ultraviolet radiation

    International Nuclear Information System (INIS)

    Socoowski Britto, Roberta; Longaray Garcia, Márcia; Martins da Rocha, Alessandra; Artigas Flores, Juliana; Pinheiro, Maurício V. Brant; Monserrat, José María; Ribas Ferreira, Josencler L.

    2012-01-01

    In consequence of their growing use and demand, the inevitable environmental presence of nanomaterials (NMs) has raised concerns about their potential deleterious effects to aquatic environments. The carbon NM fullerene (C 60 ), which forms colloidal aggregates in water, and its water-soluble derivative fullerol (C 60 (OH) 18–22 ), which possesses antioxidant properties, are known to be photo-excited by ultraviolet (UV) or visible light. To investigate their potential hazards to aquatic organisms upon exposure to UV sunlight, this study analyzed (a) the in vitro behavior of fullerene and fullerol against peroxyl radicals (ROO·) under UV-A radiation and (b) the effects of these photo-excited NMs on oxidative stress parameters in functional gills extracted from the fish Cyprinus carpio (Cyprinidae). The variables measured were the total antioxidant capacity, lipid peroxidation (TBARS), the activities of the antioxidant enzymes glutathione reductase (GR) and glutamate cysteine ligase (GCL), and the levels of the non-enzymatic antioxidant glutathione (GSH). The obtained results revealed the following: (1) both NMs behaved in vitro as antioxidants against ROO· in the dark and as pro-oxidants in presence of UV-A, the latter effect being reversed by the addition of sodium azide, which is a singlet oxygen ( 1 O 2 ) quencher; (2) fullerene induced toxicity with or without UV-A incidence, with a significant (p 1 O 2 generation; and (3) fullerol also decreased GCL activity and GSH formation (p 1 O 2 formation.

  16. Estimation of the parameters of cytotoxicity of fullerene C60 and C60-containing composites in vitro

    International Nuclear Information System (INIS)

    Priluts'ka, S.V.; Grinyuk, Yi.Yi.; Golub, O.A.; Matishevs'ka, O.P.

    2006-01-01

    The influence of fullerene C 60 and C 60 -containing composites (on the basis of aminopropylaerosyl (ApA)) on the stability of erythrocytes to acid haemolysis and the viability of thymocytes, ascite forms of Erlich and leucosis L1210 cells is studied. The obtained results indicate the possibility to use ApA as a matrix for conjugation with other elements and for the further biological studies of composites photosensitizing the effect

  17. Comparative computational study of interaction of C60-fullerene and tris-malonyl-C60-fullerene isomers with lipid bilayer: relation to their antioxidant effect.

    Directory of Open Access Journals (Sweden)

    Marine E Bozdaganyan

    Full Text Available Oxidative stress induced by excessive production of reactive oxygen species (ROS has been implicated in the etiology of many human diseases. It has been reported that fullerenes and some of their derivatives-carboxyfullerenes-exhibits a strong free radical scavenging capacity. The permeation of C60-fullerene and its amphiphilic derivatives-C3-tris-malonic-C60-fullerene (C3 and D3-tris-malonyl-C60-fullerene (D3-through a lipid bilayer mimicking the eukaryotic cell membrane was studied using molecular dynamics (MD simulations. The free energy profiles along the normal to the bilayer composed of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC for C60, C3 and D3 were calculated. We found that C60 molecules alone or in clusters spontaneously translocate to the hydrophobic core of the membrane and stay inside the bilayer during the whole period of simulation time. The incorporation of cluster of fullerenes inside the bilayer changes properties of the bilayer and leads to its deformation. In simulations of the tris-malonic fullerenes we discovered that both isomers, C3 and D3, adsorb at the surface of the bilayer but only C3 tends to be buried in the area of the lipid headgroups forming hydrophobic contacts with the lipid tails. We hypothesize that such position has implications for ROS scavenging mechanism in the specific cell compartments.

  18. Detection of fullerenes (C60 and C70) in commercial cosmetics

    International Nuclear Information System (INIS)

    Benn, Troy M.; Westerhoff, Paul; Herckes, Pierre

    2011-01-01

    Detection methods are necessary to quantify fullerenes in commercial applications to provide potential exposure levels for future risk assessments of fullerene technologies. The fullerene concentrations of five cosmetic products were evaluated using liquid chromatography with mass spectrometry to separate and specifically detect C 60 and C 70 from interfering cosmetic substances (e.g., castor oil). A cosmetic formulation was characterized with transmission electron microscopy, which confirmed that polyvinylpyrrolidone encapsulated C 60 . Liquid-liquid extraction of fullerenes from control samples approached 100% while solid-phase and sonication in toluene extractions yielded recoveries of 27-42%. C 60 was detected in four commercial cosmetics ranging from 0.04 to 1.1 μg/g, and C 70 was qualitatively detected in two samples. A single-use quantity of cosmetic (0.5 g) may contain up to 0.6 μg of C 60 , demonstrating a pathway for human exposure. Steady-state modeling of fullerene adsorption to biosolids is used to discuss potential environmental releases from wastewater treatment systems. - Highlights: → Fullerenes were detected in cosmetics up to 1.1 μg/g. → Liquid-liquid extraction efficiently recovers fullerenes in cosmetic matrices. → Solid-phase extraction reduces LC-MS detection interferences for C60. → Cosmetics can increase human and environmental fullerene exposures. - Fullerenes were detected in cosmetics with liquid chromatography-mass spectrometry up to 1.1 μg/g, demonstrating a source for human/environmental exposure.

  19. C(60 fullerene prevents genotoxic effects of doxorubicin in human lymphocytes in vitro

    Directory of Open Access Journals (Sweden)

    K. S. Afanasieva

    2015-02-01

    Full Text Available The self-ordering of C60 fullerene, doxorubicin and their mixture precipitated from aqueous solutions was investigated using atomic-force microscopy. The results suggest the complexation between the two compounds. The genotoxicity of doxorubicin in complex with C60 fullerene (С60+Dox was evaluated in vitro with comet assay using human lymphocytes. The obtained results show that the C60 fullerene prevents the toxic effect of Dox in normal cells and, thus, С60+Dox complex might be proposed for biomedical application.

  20. Topological edge properties of C60+12n fullerenes

    Directory of Open Access Journals (Sweden)

    A. Mottaghi

    2013-06-01

    Full Text Available A molecular graph M is a simple graph in which atoms and chemical bonds are the vertices and edges of M, respectively. The molecular graph M is called a fullerene graph, if M is the molecular graph of a fullerene molecule. It is well-known that such molecules exist for even integers n ≥ 24 or n = 20. The aim of this paper is to investigate the topological properties of a class of fullerene molecules containing 60 + 12n carbon atoms.

  1. Thermodynamics of association of water soluble fullerene derivatives

    Indian Academy of Sciences (India)

    SONANKI KESHRI

    2017-08-31

    Aug 31, 2017 ... Entropic and enthalpic contributions to the association of solute molecules are calculated ... authors.7,46–70 The association of fullerene in aque- ous media is ..... The main mechanism accounting for the stabiliza- tion of the ...

  2. Raman spectroelectrochemistry of ordered C-60 fullerene layers

    Czech Academy of Sciences Publication Activity Database

    Krause, M.; Deutsch, D.; Dunsch, L.; Janda, Pavel; Kavan, Ladislav

    2005-01-01

    Roč. 13, - (2005), s. 159-166 ISSN 1536-383X R&D Projects: GA AV ČR IAA4040306 Institutional research plan: CEZ:AV0Z40400503 Keywords : fullerenes * thin films * nanostructuring * Raman spectroscopy Subject RIV: CG - Electrochemistry Impact factor: 0.776, year: 2005

  3. Preparation and tribology properties of water-soluble fullerene derivative nanoball

    Directory of Open Access Journals (Sweden)

    Guichang Jiang

    2017-02-01

    Full Text Available Water-soluble fullerene derivatives were synthesized via radical polymerization. They are completely soluble in water, yielding a clear brown solution. The products were characterized by FTIR, UV–Vis, 1H-NMR, 13CNMR, GPC, TGA, and SEM. Four-ball tests show that the addition of a certain concentration of the fullerene derivatives to base stock (2 wt.% triethanolamine aqueous solution can effectively increase both the load-carrying capacity (PB value, and the resistance to wear. SEM observations confirm the additive results in a reduced diameter of the wear scar and decreased wear.

  4. C60-Fullerenes: detection of intracellular photoluminescence and lack of cytotoxic effects

    Directory of Open Access Journals (Sweden)

    Carroll David L

    2006-12-01

    Full Text Available Abstract We have developed a new method of application of C60 to cultured cells that does not require water-solubilization techniques. Normal and malignant cells take-up C60 and the inherent photoluminescence of C60 is detected within multiple cell lines. Treatment of cells with up to 200 μg/ml (200 ppm of C60 does not alter morphology, cytoskeletal organization, cell cycle dynamics nor does it inhibit cell proliferation. Our work shows that pristine C60 is non-toxic to the cells, and suggests that fullerene-based nanocarriers may be used for biomedical applications.

  5. On the Stability of Fullerene C60 in Aqueous Medium

    Czech Academy of Sciences Publication Activity Database

    Gál, Miroslav; Kolivoška, Viliam; Kavan, Ladislav; Kocábová, Jana; Pospíšil, Lubomír; Hromadová, Magdaléna; Zukalová, Markéta; Sokolová, Romana; Kielar, F.

    2012-01-01

    Roč. 20, č. 8 (2012), s. 737-742 ISSN 1536-383X R&D Projects: GA ČR GP203/09/P502; GA ČR GA203/09/1607; GA ČR GA203/08/1157; GA ČR GA203/09/0705; GA AV ČR IAA400400804; GA AV ČR KAN200100801 Institutional support: RVO:61388955 Keywords : fullerene s * AFM * dispersion Subject RIV: CG - Electrochemistry Impact factor: 0.764, year: 2012

  6. Polymerized phase and amorphous diamond synthesized from C60 fullerene by shock compression

    International Nuclear Information System (INIS)

    Niwase, K.; Homae, T.; Nakamura, K.G.; Kondo, K.

    2006-01-01

    C 60 fullerene films were shock compressed to 23 and 52GPa. Both the recovered samples exhibit fracture into platelets and broad photoluminescence, and intensity of these increases with increasing pressure. At 23GPa, a characteristic single broad band appears at 1560-1570cm -1 , which is similar to the one found for three-dimensional (3D) polymerized C 60 fullerene under high-pressure-high-temperature treatment. At 52GPa, on the other hand, the single broad band has disappeared and a diamond peak sometimes appears, depending on platelets

  7. C60 fullerenes from combustion of common fuels

    Energy Technology Data Exchange (ETDEWEB)

    Tiwari, Andrea J., E-mail: ajtiwari@vt.edu [Department of Civil & Environmental Engineering, Virginia Tech, 200 Patton Hall, 750 Drillfield Drive, Blacksburg, VA 24061 (United States); Ashraf-Khorassani, Mehdi, E-mail: mashraf@vt.edu [Department of Chemistry, Virginia Tech, 480 Davidson Hall, 900 West Campus Drive, Virginia Tech, Blacksburg, VA 24061 (United States); Marr, Linsey C., E-mail: lmarr@vt.edu [Department of Civil & Environmental Engineering, Virginia Tech, 200 Patton Hall, 750 Drillfield Drive, Blacksburg, VA 24061 (United States)

    2016-03-15

    Releases of C{sub 60} fullerenes to the environment will increase with the growth of nanotechnology. Assessing the potential risks of manufactured C{sub 60} requires an understanding of how its prevalence in the environment compares to that of natural and incidental C{sub 60}. This work describes the characterization of incidental C{sub 60} present in aerosols generated by combustion of five common fuels: coal, firewood, diesel, gasoline, and propane. C{sub 60} was found in exhaust generated by all five fuels; the highest concentrations in terms of mass of C{sub 60} per mass of particulate matter were associated with diesel and coal. Individual aerosols from these combustion processes were examined by transmission electron microscopy. No relationship was found between C{sub 60} content and either the separation of graphitic layers (lamellae) within the particles, nor the curvature of those lamellae. Estimated global emissions of incidental C{sub 60} to the atmosphere from coal and diesel combustion range from 1.6 to 6.3 t yr{sup −1}, depending upon combustion conditions. These emissions may be similar in magnitude to the total amount of manufactured C{sub 60} produced on an annual basis. Consequent loading of incidental C{sub 60} to the environment may be several orders of magnitude higher than has previously been modeled for manufactured C{sub 60}. - Highlights: • Exhaust of common fuels (coal, diesel, etc.) analyzed via chromatography for C{sub 60.} • All five fuels tested produced C{sub 60} in aerosols in mass fractions up to several ppm. • Emissions of incidental C{sub 60} may be comparable to the total amount manufactured.

  8. Determination of the displacement cross-section in C-60 fullerene exposed to the gamma rays

    International Nuclear Information System (INIS)

    Leyva, A.; Pinnera, I.; Leyva, D.; Cruz, C.; Abreu, Y.

    2011-01-01

    Using the threshold energy values reported in literature for spherical fullerene C-60 molecules and taking into account the McKinley-Feshbach approach, the effective atomic displacement cross-section in C-60 nanostructures exposed to the gamma rays was estimated. The Kinchin-Pease approximation for the damage function was also considered. These calculations were performed using MCCM code system developed by the authors for the study of gamma radiation damage in solid materials. (Author)

  9. Development and Characterization of Biocompatible Fullerene [C60]/Amphiphilic Block Copolymer Nanocomposite

    Directory of Open Access Journals (Sweden)

    Alok Chaurasia

    2015-01-01

    Full Text Available We report a supramolecular process for the synthesis of well-defined fullerene (C60/polymer colloid nanocomposites in an aqueous solution via complex formation. A biocompatible triblock poly(4-vinylpyridine-b-polyethylene-b-poly(4-vinylpyridine, P4VP8-b-PEO105-b-P4VP8, was synthesized by atom transfer radical polymerization. The block copolymer formed complexes with C60 in toluene and resulted in fullerene assembly in cluster form. Nanocomposite dispersion in an aqueous solution could be obtained using an aged solution of the polymer/C60/toluene solution by a solvent evaporation technique. The UV-Vis and FTIR spectroscopy confirmed the complex formation of fullerene with the polymer which plays a significant role in controlling the PDI and size of polymer/C60 micelles in the toluene solution. The particle size and morphology of P4VP8-b-PEO105-b-P4VP8 and P4VP8-b-PEO105-b-P4VP8/C60 mixture were studied by dynamic light scattering (DLS and transmission electron microscopy (TEM. In a cytotoxicity test, both pure polymer and the resulting polymer/C60 composite in water showed more than 90% cell viability at 1 mg/mL concentration.

  10. Improved spectrophotometric analysis of fullerenes C60 and C70 in high-solubility organic solvents.

    Science.gov (United States)

    Törpe, Alexander; Belton, Daniel J

    2015-01-01

    Fullerenes are among a number of recently discovered carbon allotropes that exhibit unique and versatile properties. The analysis of these materials is of great importance and interest. We present previously unreported spectroscopic data for C60 and C70 fullerenes in high-solubility solvents, including error bounds, so as to allow reliable colorimetric analysis of these materials. The Beer-Lambert-Bouguer law is found to be valid at all wavelengths. The measured data were highly reproducible, and yielded high-precision molar absorbance coefficients for C60 and C70 in o-xylene and o-dichlorobenzene, which both exhibit a high solubility for these fullerenes, and offer the prospect of improved extraction efficiency. A photometric method for a C60/C70 mixture analysis was validated with standard mixtures, and subsequently improved for real samples by correcting for light scattering, using a power-law fit. The method was successfully applied to the analysis of C60/C70 mixtures extracted from fullerene soot.

  11. Conformational, IR spectroscopic and electronic properties of conium alkaloids and their adducts with C60 fullerene

    Science.gov (United States)

    Zabolotnyi, M. A.; Prylutskyy, Yu I.; Poluyan, N. A.; Evstigneev, M. P.; Dovbeshko, G. I.

    2016-08-01

    Conformational, IR spectroscopic and electronic properties of the components of Conium alkaloids (Conium maculatum) in aqueous environment were determined by model calculations and experiment. With the help of FT-IR spectroscopy the possibility of formation of an adduct between γ-coniceine alkaloid and C60 fullerene was demonstrated, which is important for further application of conium analogues in biomedical purposes.

  12. Recent Advances in Electrochemical Biosensors Based on Fullerene-C60 Nano-Structured Platforms.

    Science.gov (United States)

    Pilehvar, Sanaz; De Wael, Karolien

    2015-11-23

    Nanotechnology is becoming increasingly important in the field of (bio)sensors. The performance and sensitivity of biosensors is greatly improved with the integration of nanomaterials into their construction. Since its first discovery, fullerene-C60 has been the object of extensive research. Its unique and favorable characteristics of easy chemical modification, conductivity, and electrochemical properties has led to its tremendous use in (bio)sensor applications. This paper provides a concise review of advances in fullerene-C60 research and its use as a nanomaterial for the development of biosensors. We examine the research work reported in the literature on the synthesis, functionalization, approaches to nanostructuring electrodes with fullerene, and outline some of the exciting applications in the field of (bio)sensing.

  13. Toxic effect of C60 fullerene-doxorubicin complex towards tumor and normal cells in vitro

    Directory of Open Access Journals (Sweden)

    Prylutska S. V.

    2014-09-01

    Full Text Available Creation of new nanostructures possessing high antitumor activity is an important problem of modern biotechnology. Aim. To evaluate cytotoxicity of created complex of pristine C60 fullerene with the anthracycline antibiotic doxorubicin (Dox, as well as of free C60 fullerene and Dox, towards different cell types – tumor, normal immunocompetent and hepatocytes. Methods. Measurement of size distribution for particles in C60 + Dox mixture was performed by a dynamic light scattering (DLS technique. Toxic effect of C60 + Dox complex in vitro towards tumor and normal cells was studied using the MTT assay. Results. DLS experiment demonstrated that the main fraction of the particles in C60 + Dox mixture had a diameter in the range of about 132 nm. The toxic effect of C60 + Dox complex towards normal (lymphocytes, macrophages, hepatocytes and tumor (Ehrlich ascites carcinoma, leukemia L1210, Lewis lung carcinoma cells was decreased by ~10–16 % and ~7–9 %, accordingly, compared with the same effect of free Dox. Conclusions. The created C60 + Dox composite may be considered as a new pharmacological agent that kills effectively tumor cells in vitro and simultaneously prevents a toxic effect of the free form of Dox on normal cells.

  14. Modified denatured lysozyme effectively solubilizes fullerene c60 nanoparticles in water

    Science.gov (United States)

    Siepi, Marialuisa; Politi, Jane; Dardano, Principia; Amoresano, Angela; De Stefano, Luca; Monti, Daria Maria; Notomista, Eugenio

    2017-08-01

    Fullerenes, allotropic forms of carbon, have very interesting pharmacological effects and engineering applications. However, a very low solubility both in organic solvents and water hinders their use. Fullerene C60, the most studied among fullerenes, can be dissolved in water only in the form of nanoparticles of variable dimensions and limited stability. Here the effect on the production of C60 nanoparticles by a native and denatured hen egg white lysozyme, a highly basic protein, has been systematically studied. In order to obtain a denatured, yet soluble, lysozyme derivative, the four disulfides of the native protein were reduced and exposed cysteines were alkylated by 3-bromopropylamine, thus introducing eight additional positive charges. The C60 solubilizing properties of the modified denatured lysozyme proved to be superior to those of the native protein, allowing the preparation of biocompatible highly homogeneous and stable C60 nanoparticles using lower amounts of protein, as demonstrated by dynamic light scattering, transmission electron microscopy and atomic force microscopy studies. This lysozyme derivative could represent an effective tool for the solubilization of other carbon allotropes.

  15. The effects of encapsulating C60 fullerenes on the bending flexibility of carbon nanotubes

    International Nuclear Information System (INIS)

    Zhu, J; Pan, Z Y; Wang, Y X; Zhou, L; Jiang, Q

    2007-01-01

    We investigate the bending flexibility of carbon nanotubes (CNTs) with encapsulated C 60 fullerenes, using molecular dynamics (MD) simulations. Our simulations on the bending of the fully ((C 60 ) 12 -(10,10)) and partially ((C 60 ) 10 -(10,10)) filled peapods show an 18 and 6.3% increase of the flexural rigidity, and a 45 and 11% increase of the buckling strength, respectively, compared to the empty (10, 10) CNT. What is characteristically different for the peapod from the empty CNT is the presence of a transitional region in the loading process that proceeds to the onset of buckling. Within this transitional region, the interaction between the encapsulated fullerenes and the hosting CNT leads to an unusual configuration of the peapod, in which there are ripples along the inner arc of the bent peapod. The transition region in the partially filled peapod is short compared with the fully filled peapod. This is mainly caused by the axial motion of C 60 fullerenes, especially after the appearance of the small ripple. The rippling configuration has been reported previously in the bending of multi-walled CNTs, where it emerges after the critical bending angle. However, in the present case, the peapod remains perfectly elastic in this transitional region until buckling takes place

  16. Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C60 Synthesis by Dimerization

    Directory of Open Access Journals (Sweden)

    Julio A. Alonso

    2013-02-01

    Full Text Available Density Functional Theory has been used to model the Diels-Alder reactions of the fullerene fragments triindenetriphenilene and pentacyclopentacorannulene with ethylene and 1,3-butadiene. The purpose is to prove the feasibility of using Diels-Alder cycloaddition reactions to grow fullerene fragments step by step, and to dimerize fullerene fragments, as a way to obtain C60. The dienophile character of the fullerene fragments is dominant, and the reaction of butadiene with pentacyclopentacorannulene is favored.

  17. Self-Cleaning Photocatalytic Polyurethane Coatings Containing Modified C60 Fullerene Additives

    Directory of Open Access Journals (Sweden)

    Jeffrey G. Lundin

    2014-08-01

    Full Text Available Surfaces are often coated with paint for improved aesthetics and protection; however, additional functionalities that impart continuous self-decontaminating and self-cleaning properties would be extremely advantageous. In this report, photochemical additives based on C60 fullerene were incorporated into polyurethane coatings to investigate their coating compatibility and ability to impart chemical decontaminating capability to the coating surface. C60 exhibits unique photophysical properties, including the capability to generate singlet oxygen upon exposure to visible light; however, C60 fullerene exhibits poor solubility in solvents commonly employed in coating applications. A modified C60 containing a hydrophilic moiety was synthesized to improve polyurethane compatibility and facilitate segregation to the polymer–air interface. Bulk properties of the polyurethane films were analyzed to investigate additive–coating compatibility. Coatings containing photoactive additives were subjected to self-decontamination challenges against representative chemical contaminants and the effects of additive loading concentration, light exposure, and time on chemical decontamination are reported. Covalent attachment of an ethylene glycol tail to C60 improved its solubility and dispersion in a hydrophobic polyurethane matrix. Decomposition products resulting from oxidation were observed in addition to a direct correlation between additive loading concentration and decomposition of surface-residing contaminants. The degradation pathways deduced from contaminant challenge byproduct analyses are detailed.

  18. An Experimental study of Fullerene (C60) Nano-fluids on Pool Boiling Conditions

    International Nuclear Information System (INIS)

    Melani, Ai; Shin, Byoong Su; Chang, Soon Heung

    2009-01-01

    Critical heat flux (CHF) is directly related to the performance of the system since CHF limits the heat transfer of a heat transfer system. Significant enhancement of CHF allows reliable operation of equipment with more margins to operational limit and more economic cost saving. The previous results show that the nano-fluids significantly enhanced pool boiling CHF compared to pure water. It was supposed that CHF enhancement was due to increased thermal conductivity of fluids, change of bubble shape and behavior, and nano-particle coating of the boiling surface. The previous researches also show that mainly the pool boiling experiment was employed metal particles. Fullerene (C 60 ) is a novel carbon allotrope that was first discovered in 1985 by a winner noble 'Sir Harold W.Kroto, Richard E. Smalley and Robert F.Curl Jr'. In this study we report the first CHF experiment in pool boiling conditions using Fullerene (C 60 ) nanofluids

  19. Spectra of elementary excitations of fullerenes C60 and electron irradiation effect

    International Nuclear Information System (INIS)

    Gordeev, Yu.S.; Mikushkin, V.M.; Shnitov, V.V.

    2000-01-01

    The electron-stimulated changes in the spectra of the fullerenes C 60 elementary excitations are determined. They are manifested in decreasing the π-plasmon energy, the forbidden zone width, the HOMO-LUMO transition energy and also in smoothing the corresponding peculiarities of the spectra. The observed red shifts are connected with collectivization of the part of the π-electrons, formation of chemically-bound neighbouring molecules (polymerization) and with the corresponding increase in the part of the sp 3 -hybridized electrons. The spectra of the characteristic energy losses of the fullerene electrons, unperturbed by the polymerization process, are measured. The multipole structure of the (σ + π) plasmon and the exciton peculiarity, which manifests high sensitivity to the electron impact and may be used for the fullerene initial structure characterization, is identified [ru

  20. Target Plate Material Influence on Fullerene-C60 Laser Desorption/Ionization Efficiency

    Science.gov (United States)

    Zeegers, Guido P.; Günthardt, Barbara F.; Zenobi, Renato

    2016-04-01

    Systematic laser desorption/ionization (LDI) experiments of fullerene-C60 on a wide range of target plate materials were conducted to gain insight into the initial ion formation in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry. The positive and negative ion signal intensities of precursor, fragment, and cluster ions were monitored, varying both the laser fluence (0-3.53 Jcm-2) and the ion extraction delay time (0-950 ns). The resulting species-specific ion signal intensities are an indication for the ionization mechanisms that contribute to LDI and the time frames in which they operate, providing insight in the (MA)LDI primary ionization. An increasing electrical resistivity of the target plate material increases the fullerene-C60 precursor and fragment anion signal intensity. Inconel 625 and Ti90/Al6/V4, both highly electrically resistive, provide the highest anion signal intensities, exceeding the cation signal intensity by a factor ~1.4 for the latter. We present a mechanism based on transient electrical field strength reduction to explain this trend. Fullerene-C60 cluster anion formation is negligible, which could be due to the high extraction potential. Cluster cations, however, are readily formed, although for high laser fluences, the preferred channel is formation of precursor and fragment cations. Ion signal intensity depends greatly on the choice of substrate material, and careful substrate selection could, therefore, allow for more sensitive (MA)LDI measurements.

  1. In silico properties characterization of water-soluble γ-cyclodextrin bi-capped C60 complex

    DEFF Research Database (Denmark)

    Cao, Ruyin; Wu, Shanshan

    2015-01-01

    Cyclodextrin-related host-guest encapsulation is pivotal to modulate the solubility of C60, thereby promoting its potential therapeutic applications. Here we present a computational study on γ-cyclodextrin bi-capped C60 complex, probing characteristics for all the possible stoichiometry in aqueou...

  2. Self assembly of amphiphilic C60 fullerene derivatives into nanoscale supramolecular structures

    Directory of Open Access Journals (Sweden)

    Casscells S Ward

    2007-08-01

    Full Text Available Abstract Background The amphiphilic fullerene monomer (AF-1 consists of a "buckyball" cage to which a Newkome-like dendrimer unit and five lipophilic C12 chains positioned octahedrally to the dendrimer unit are attached. In this study, we report a novel fullerene-based liposome termed 'buckysome' that is water soluble and forms stable spherical nanometer sized vesicles. Cryogenic electron microscopy (Cryo-EM, transmission electron microscopy (TEM, and dynamic light scattering (DLS studies were used to characterize the different supra-molecular structures readily formed from the fullerene monomers under varying pH, aqueous solvents, and preparative conditions. Results Electron microscopy results indicate the formation of bilayer membranes with a width of ~6.5 nm, consistent with previously reported molecular dynamics simulations. Cryo-EM indicates the formation of large (400 nm diameter multilamellar, liposome-like vesicles and unilamellar vesicles in the size range of 50–150 nm diameter. In addition, complex networks of cylindrical, tube-like aggregates with varying lengths and packing densities were observed. Under controlled experimental conditions, high concentrations of spherical vesicles could be formed. In vitro results suggest that these supra-molecular structures impose little to no toxicity. Cytotoxicity of 10–200 μM buckysomes were assessed in various cell lines. Ongoing studies are aimed at understanding cellular internalization of these nanoparticle aggregates. Conclusion In this current study, we have designed a core platform based on a novel amphiphilic fullerene nanostructure, which readily assembles into supra-molecular structures. This delivery vector might provide promising features such as ease of preparation, long-term stability and controlled release.

  3. Continuum modeling investigation of gigahertz oscillators based on a C60 fullerene inside cyclic peptide nanotubes

    Science.gov (United States)

    Sadeghi, F.; Ansari, R.; Darvizeh, M.

    2016-02-01

    Research concerning the fabrication of nano-oscillators with operating frequency in the gigahertz (GHz) range has become a focal point in recent years. In this paper, a new type of GHz oscillators is introduced based on a C60 fullerene inside a cyclic peptide nanotube (CPN). To study the dynamic behavior of such nano-oscillators, using the continuum approximation in conjunction with the 6-12 Lennard-Jones (LJ) potential function, analytical expressions are derived to determine the van der Waals (vdW) potential energy and interaction force between the two interacting molecules. Employing Newton's second law, the equation of motion is solved numerically to arrive at the telescopic oscillatory motion of a C60 fullerene inside CPNs. It is shown that the fullerene molecule exhibits different kinds of oscillation inside peptide nanotubes which are sensitive to the system parameters. Furthermore, for the precise evaluation of the oscillation frequency, a novel semi-analytical expression is proposed based on the conservation of the mechanical energy principle. Numerical results are presented to comprehensively study the effects of the number of peptide units and initial conditions (initial separation distance and velocity) on the oscillatory behavior of C60 -CPN oscillators. It is found out that for peptide nanotubes comprised of one unit, the maximum achievable frequency is obtained when the inner core oscillates with respect to its preferred positions located outside the tube, while for other numbers of peptide units, such frequency is obtained when the inner core oscillates with respect to the preferred positions situated in the space between the two first or the two last units. It is further found out that four peptide units are sufficient to obtain the optimal frequency.

  4. Carbon fullerenes (C60s) can induce inflammatory responses in the lung of mice

    International Nuclear Information System (INIS)

    Park, Eun-Jung; Kim, Hero; Kim, Younghun; Yi, Jongheop; Choi, Kyunghee; Park, Kwangsik

    2010-01-01

    Fullerenes (C60s) occur in the environment due to natural and anthropogenic sources such as volcanic eruptions, forest fires, and the combustion of carbon-based materials. Recently, production and application of engineered C60s have also rapidly increased in diverse industrial fields and biomedicine due to C60' unique physico-chemical properties, so toxicity assessment on environmental and human health is being evaluated as a valuable work. However, data related to the toxicity of C60s have not been abundant up to now. In this study, we studied the immunotoxic mechanism and change of gene expression caused by the instillation of C60s. As a result, C60s induced an increase in sub G1 and G1 arrest in BAL cells, an increase in pro-inflammatory cytokines such as IL-1, TNF-α, and IL-6, and an increase of Th1 cytokines such as IL-12 and IFN-r in BAL fluid. In addition, IgE reached the maximum at 1 day after treatment in both BAL fluid and the blood, and decreased in a time-dependent manner. Gene expression of the MHC class II (H2-Eb1) molecule was stronger than that of the MHC class I (H2-T23), and an increase in T cell distribution was also observed during the experiment period. Furthermore, cell infiltration and expression of tissue damage related genes in lung tissue were constantly observed during the experiment period. Based on this, C60s may induce inflammatory responses in the lung of mice.

  5. Search for the form of fullerene C60 in aqueous medium

    Czech Academy of Sciences Publication Activity Database

    Pospíšil, Lubomír; Gál, Miroslav; Hromadová, Magdaléna; Kocábová, Jana; Kolivoška, Viliam; Cvačka, Josef; Nováková, Kateřina; Kavan, Ladislav; Zukalová, Markéta; Dunsch, L.

    2010-01-01

    Roč. 12, č. 42 (2010), s. 14095-14101 ISSN 1463-9076 R&D Projects: GA ČR GA203/09/0705; GA ČR GP203/09/P502; GA AV ČR IAA400400804; GA AV ČR KAN200100801; GA MŠk OC 140; GA MŠk LC510 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z40550506 Keywords : fullerene C60 * electrochemical measurements * electrochemistry Subject RIV: CG - Electrochemistry Impact factor: 3.454, year: 2010

  6. Impacts of fullerene C60 and virgin olive oil on cadmium-induced genotoxicity in rats.

    Science.gov (United States)

    Aly, Fayza M; Kotb, Ahmed M; Haridy, Mohie A M; Hammad, Seddik

    2018-07-15

    Currently, cadmium is considered to be one of the major environmental pollutants. Environmentally, cadmium is released in various forms e.g. oxide, chloride and sulphide. The aim of the present study was to examine the genotoxic impact of fullerene nanoparticles C 60 (C 60 ) and virgin olive oil (VOO) on cadmium chloride (CdCl 2 )-induced genotoxicity in rats. To evaluate these effects on DNA damage and chromosomal frequency, 25 albino rats were randomly assigned to 5 groups (n=5 per group): Group 1 served as a control; Group 2 received a single intraperitoneal dose of CdCl 2 (3.5mg/kg); Group 3 animals were treated with C 60 (4mg/kg, orally) every other day for 20days; Group 4 received a single intraperitoneal dose of CdCl 2 (3.5mg/kg) and an oral dose of C 60 (4mg/kg); and Group 5 received a single intraperitoneal dose of CdCl 2 (3.5mg/kg) and oral doses of VOO every other day for 20 consecutive days. Genotoxic and anti-genotoxic effects of C 60 and VOO were evaluated in the liver, kidney and bone marrow using molecular and cytogenetic assays. As expected, CdCl 2 and C 60 administration was associated with band number alterations in both liver and kidney; however, C 60 pretreatment recovered to approximately basal number. Surprisingly, C 60 and VOO significantly attenuated the genotoxic effects caused by CdCl 2 in livers and kidneys. In bone marrow, in addition to a reduction in the chromosomal number, several chromosomal aberrations were caused by CdCl 2 . These chromosomal alterations were also reversed by C 60 and VOO. In conclusion, molecular and cytogenetic studies showed that C 60 and VOO exhibit anti-genotoxic agents against CdCl 2 -induced genotoxicity in rats. Further studies are needed to investigate the optimal conditions for potential biomedical applications of these anti-genotoxic agents. Copyright © 2018 Elsevier B.V. All rights reserved.

  7. Oxidatively damaged DNA in rats exposed by oral gavage to C60 fullerenes and single-walled carbon nanotubes

    DEFF Research Database (Denmark)

    Folkmann, Janne K; Risom, Lotte; Jacobsen, Nicklas R

    2009-01-01

    BACKGROUND: C60 fullerenes and single-walled carbon nanotubes (SWCNT) are projected to be used in medicine and consumer products with potential human exposure. The hazardous effects of these particles are expected to involve oxidative stress with generation of oxidatively damaged DNA that might...... be the initiating event in the development of cancer. OBJECTIVE: In this study we investigated the effect of a single oral administration of C60 fullerenes and SWCNT. METHODS: We measured the level of oxidative damage to DNA as the premutagenic 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxodG) in the colon mucosa...... of genotoxicity, whereas corn oil per se generated more genotoxicity than the particles. Although there was increased mRNA expression of 8-oxoguanine DNA glycosylase in the liver of C60 fullerene-treated rats, we found no significant increase in repair activity. CONCLUSIONS: Oral exposure to low doses of C60...

  8. Effect of magnetic fullerene on magnetization reversal created at the Fe/C60 interface.

    Science.gov (United States)

    Mallik, Srijani; Mattauch, Stefan; Dalai, Manas Kumar; Brückel, Thomas; Bedanta, Subhankar

    2018-04-03

    Probing the hybridized magnetic interface between organic semiconductor (OSC) and ferromagnetic (FM) layers has drawn significant attention in recent years because of their potential in spintronic applications. Recent studies demonstrate various aspects of organic spintronics such as magnetoresistance, induced interface moment etc. However, not much work has been performed to investigate the implications of such OSC/FM interfaces on the magnetization reversal and domain structure which are the utmost requirements for any applications. Here, we show that non-magnetic Fullerene can obtain non-negligible magnetic moment at the interface of Fe(15 nm)/C 60 (40 nm) bilayer. This leads to substantial effect on both the magnetic domain structure as well as the magnetization reversal when compared to a single layer of Fe(15 nm). This is corroborated by the polarized neutron reflectivity (PNR) data which indicates presence of hybridization at the interface by the reduction of magnetic moment in Fe. Afterwards, upto 1.9 nm of C 60 near the interface exhibits magnetic moment. From the PNR measurements it was found that the magnetic C 60 layer prefers to be aligned anti-parallel with the Fe layer at the remanant state. The later observation has been confirmed by domain imaging via magneto-optic Kerr microscopy.

  9. Spin states of reduced fullerenes (C60 and C120O) by CW and pulsed EPR

    International Nuclear Information System (INIS)

    Boas, J.F.; Drew, S.C.; Pilbrow, J.R.; Boyd, P.D.W.; Paul, P.; Reed, C.A.; Sun, D.

    2003-01-01

    Full text: The ESTN (Electron Spin Transient Nutation) EPR (Electron Paramagnetic Resonance) experiments reported at Wagga 2002 showed that the spin states of the reduced fullerenes C 120 O (2-), C 120 O (3-) and C 120 O (4-) were S = 1, S = 1/2 and S = 1 respectively. Further experiments using CW (Continuous Wave) EPR have confirmed the results of Paul et al. and have now shown that these states are the ground states of these anions. In the case of C 60 (3-), the recent CW and ESTN EPR experiments have shown that the electronic ground state of this anion is S = 1/2. The observation of ground states of low multiplicity for these anions is contrary to expectations based on MO calculations and the application of Hund's rules. A series of CW EPR experiments on C 60 (3-) have shown that some previous results may need to be re-interpreted. This arises from the delineation of the effects of microwave power, modulation amplitude and frequency, sample temperature and freezing rate on the EPR spectrum which is the combination of a broad line, attributed to C 60 (3-), and a 'spike' attributed to C 120 O impurities and other oxygen related species. Our results cast doubt on the existence of Jahn-Teller effects at low temperatures and of a low-lying spin quartet excited state

  10. Aggregation behavior of fullerenes in aqueous solutions: a capillary electrophoresis and asymmetric flow field-flow fractionation study

    NARCIS (Netherlands)

    Astefanei, A.; Núñez, O.; Galceran, M.T.; Kok, W.Th.; Schoenmakers, P.J.

    2015-01-01

    In this work, the electrophoretic behavior of hydrophobic fullerenes [buckminsterfullerene (C-60), C-70, and N-methyl-fulleropyrrolidine (C-60-pyrr)] and water-soluble fullerenes [fullerol (C-60(OH)(24)); polyhydroxy small gap fullerene, hydrated (C-120(OH)(30)); C-60 pyrrolidine tris acid

  11. Modulation of cisplatin-induced reactive oxygen species production by fullerene C(60 in normal and transformed lymphoid cells

    Directory of Open Access Journals (Sweden)

    D. V. Franskevych

    2016-02-01

    Full Text Available The early response of normal (Wistar rat thymocytes and transformed (mice lymphoid leukemia L1210 cells to treatment with anticancer drug cisplatin or to combined treatment with cisplatin and carbon nanostructure fullerene C60 was studied. We demonstrated with fluorescent probes DCFH-DA and TMRE that cisplatin at concentration 1 μg/ml induced reactive oxygen species (ROS production and decreased the value of mitochondrial membrane potential in both cell types. The combined treatment with cisplatin (1 μg/ml and fullerene C60 (7.2 μg/ml was shown to be followed by oppositely directed modulation of ROS production in thymocytes and L1210 cells. Cisplatin-induced ROS production was intensified in L1210 cells, while in thymocytes it was decreased. It is supposed that the different effects of combined treatment are associated with peculiarities of fullerene C60 accumulation and localization in normal and cancer cells.

  12. In Silico Study of Spacer Arm Length Influence on Drug Vectorization by Fullerene C60

    Directory of Open Access Journals (Sweden)

    Haifa Khemir

    2015-01-01

    Full Text Available This work studies theoretically the effect of spacer arm lengths on the characteristics of a fullerene C60-based nanovector. The spacer arm is constituted of a carbon chain including a variable number of methylene groups (n = 2–11. To improve the ability of the fullerene carriage, two arms are presented simultaneously through a malonyl bridge. Then the evolution of selected physicochemical parameters is monitored as a function of the spacer arm length and the angle between the two arms. We show here that while the studied characteristics are almost independent of the spacer arm length or vary monotonically with it, the dipole moment and its orientation vary periodically with the parity of the number of carbon atoms. This periodicity is related to both modules and orientations of dipole moments of the spacer arms. In the field of chemical synthesis, these results highlight the importance of theoretical calculations for the optimization of operating conditions. In the field of drug discovery, they show that theoretical calculations of the chemical properties of a drug candidate can help predict its in vivo behaviour, notably its bioavailability and biodistribution, which are known to be tightly dependent of its polarity.

  13. The performance of selected semi-empirical and DFT methods in studying C60 fullerene derivatives

    Science.gov (United States)

    Sikorska, Celina; Puzyn, Tomasz

    2015-11-01

    The capability of reproducing the open circuit voltages (V oc) of 15 representative C60 fullerene derivatives was tested using the selected quantum mechanical methods (B3LYP, PM6, and PM7) together with the two one-electron basis sets. Certain theoretical treatments (e.g. PM6) were found to be satisfactory for preliminary estimates of the open circuit voltages (V oc), whereas the use of the B3LYP/6-31G(d) approach has been proven to assure highly accurate results. We also examined the structural similarity of 19 fullerene derivatives by employing principle component analysis (PCA). In order to express the structural features of the studied compounds we used molecular descriptors calculated with semi-empirical (PM6 and PM7) and density functional (B3LYP/6-31G(d)) methods separately. In performing PCA, we noticed that semi-empirical methods (i.e. PM6 and PM7) seem satisfactory for molecules, in which one can distinguish the aromatic and the aliphatic parts in the cyclopropane ring of PCBM (phenyl-C61-buteric acid methyl ester) and they significantly overestimate the energy of the highest occupied molecular orbital (E HOMO). The use of the B3LYP functional, however, is recommended for studying methanofullerenes, which closely resemble the structure of PCBM, and for their modifications.

  14. The performance of selected semi-empirical and DFT methods in studying C60 fullerene derivatives

    International Nuclear Information System (INIS)

    Sikorska, Celina; Puzyn, Tomasz

    2015-01-01

    The capability of reproducing the open circuit voltages (V oc ) of 15 representative C 60 fullerene derivatives was tested using the selected quantum mechanical methods (B3LYP, PM6, and PM7) together with the two one-electron basis sets. Certain theoretical treatments (e.g. PM6) were found to be satisfactory for preliminary estimates of the open circuit voltages (V oc ), whereas the use of the B3LYP/6-31G(d) approach has been proven to assure highly accurate results. We also examined the structural similarity of 19 fullerene derivatives by employing principle component analysis (PCA). In order to express the structural features of the studied compounds we used molecular descriptors calculated with semi-empirical (PM6 and PM7) and density functional (B3LYP/6-31G(d)) methods separately. In performing PCA, we noticed that semi-empirical methods (i.e. PM6 and PM7) seem satisfactory for molecules, in which one can distinguish the aromatic and the aliphatic parts in the cyclopropane ring of PCBM (phenyl-C 61 -buteric acid methyl ester) and they significantly overestimate the energy of the highest occupied molecular orbital (E HOMO ). The use of the B3LYP functional, however, is recommended for studying methanofullerenes, which closely resemble the structure of PCBM, and for their modifications. (paper)

  15. Hydrogen molecules inside fullerene C70: quantum dynamics, energetics, maximum occupancy, and comparison with C60.

    Science.gov (United States)

    Sebastianelli, Francesco; Xu, Minzhong; Bacić, Zlatko; Lawler, Ronald; Turro, Nicholas J

    2010-07-21

    energetic destabilization of (p-H(2))(2)@C(60). For these reasons, the T-R ZPE has to be calculated accurately and taken into account for reliable theoretical predictions regarding the stability of the endohedral fullerene complexes with hydrogen molecules and their maximum H(2) content.

  16. Diels-Alder cyclo-addition as an efficient tool for linking π-donors onto fullerene C60

    International Nuclear Information System (INIS)

    Hudhomme, P.

    2006-01-01

    Diels-Alder reaction of endo-cyclic, acyclic 1,3-dienes or (hetero) o-quinodimethanes with the dienophilic fullerene C 60 is presented as an efficient tool for linking electro-active units giving rise to systems where both the donor and C 60 partners take up well defined volumes and orientations with respect to one another. While porphyrin is the most frequently used electron donor in artificial photosynthetic models, C 60 -based tetrathiafulvalene (TTF) or p-conjugated oligomer adducts remain interesting candidates for the preparation of photovoltaic devices. In this account, we focus on the use of the Diels-Alder cyclo-addition and its use in the synthesis of TTF-C 60 dyads, (TTF) n -C 60 polyads and C 60 -TTF-C 60 dumbbells as part of ongoing research into materials which display efficient photo-induced electron transfer. (author)

  17. TEMPO functionalized C60 fullerene deposited on gold surface for catalytic oxidation of selected alcohols

    International Nuclear Information System (INIS)

    Piotrowski, Piotr; Pawłowska, Joanna; Sadło, Jarosław Grzegorz; Bilewicz, Renata; Kaim, Andrzej

    2017-01-01

    C 60 TEMPO 10 catalytic system linked to a microspherical gold support through a covalent S-Au bond was developed. The C 60 TEMPO 10 @Au composite catalyst had a particle size of 0.5–0.8 μm and was covered with the fullerenes derivative of 2.3 nm diameter bearing ten nitroxyl groups; the organic film showed up to 50 nm thickness. The catalytic composite allowed for the oxidation under mild conditions of various primary and secondary alcohols to the corresponding aldehyde and ketone analogues with efficiencies as high as 79–98%, thus giving values typical for homogeneous catalysis, while retaining at the same time all the advantages of heterogeneous catalysis, e.g., easy separation by filtration from the reaction mixture. The catalytic activity of the resulting system was studied by means of high pressure liquid chromatography. A redox mechanism was proposed for the process. In the catalytic cycle of the oxidation process, the TEMPO moiety was continuously regenerated in situ with an applied primary oxidant, for example, O 2 /Fe 3+ system. The new intermediate composite components and the final catalyst were characterized by various spectroscopic methods and thermogravimetry.

  18. Asymmetric fission and evaporation of C60r+ (r = 2-4) fullerene ions in ion-C60 collisions: II. Dependence on collisional processes?

    International Nuclear Information System (INIS)

    Rentenier, A; Bordenave-Montesquieu, A; Moretto-Capelle, P; Bordenave-Montesquieu, D

    2004-01-01

    In this paper, a quantitative comparison of our experimental data for the asymmetrical fission (AF) and neutral evaporation of the C 60 molecule under proton impact (part I) is made with data published by other authors and often obtained in rather different collisional systems. The comparison with multicharged ions for which more quantitative data are available is focused on. It is demonstrated that size distributions of fragments, averaged fragment sizes, branching ratios between AF and evaporation or between AF channels, are common to all the collisional systems. Differences only appear when the comparison includes the undissociated stable fullerene ion signals

  19. Asymmetric fission and evaporation of C60r+ (r = 2-4) fullerene ions in ion-C60 collisions: I. Proton results

    International Nuclear Information System (INIS)

    Rentenier, A; Bordenave-Montesquieu, A; Moretto-Capelle, P; Bordenave-Montesquieu, D

    2004-01-01

    A quantitative description of the asymmetric fission (AF) of C 60 r+ fullerene ions (r = 2-4), using a multistop coincidence technique between both fragment ions, is presented. Charged light fragment (LF) and heavy fragment (HF) size distributions are discussed together with the corresponding averaged sizes. Complete AF distributions are reported for the first time for C 60 2+ ions. Simple dependences of the more probable channels and averaged fragment sizes on the partner size are found and discussed. The LF ones are not very sensitive to the parent fullerene ion charge r and vary linearly with the HF size at least for the largest ones. On the other hand the HF ones present an oscillating dependence against the LF size, the odd-numbered LFs being correlated to a smaller HF size, and depend on r. In the comparison of branching ratios between AF and the competing pure neutral evaporation channel, some emphasis is given to the behaviour of the unimolecular processes with r which are compared with the evolution of the activation energies and fission barriers. From a close examination of the individual HF distributions the production mechanisms of odd-n fragments are discussed, and the most probable dissociation channels of even-numbered C n + excited carbon clusters identified. Finally, an analysis of the neutral channels is also presented for the first time, the total neutral mass N (in carbon units) being deduced from the mass conservation law. Surprising similarities between the charged LF- and N-distributions are found. AF processes are also identified where light neutrals and ions play a symmetrical role. These findings lead us to suggest that a concerted emission of ions and heavy neutrals is probably a fission mechanism to be considered to understand the AF process of the C 60 molecule in addition to the often assumed multistep fragmentation cascade scheme

  20. Photoionization of Xe inside C60: Atom-fullerene hybridization, giant cross-section enhancement, and correlation confinement resonances

    International Nuclear Information System (INIS)

    Madjet, Mohamed E.; Renger, Thomas; Hopper, Dale E.; McCune, Matthew A.; Chakraborty, Himadri S.; Rost, Jan-M.; Manson, Steven T.

    2010-01-01

    A theoretical study of the subshell photoionization of the Xe atom endohedrally confined in C 60 is presented. Powerful hybridization of the Xe 5s state with the bottom edge of C 60 π band is found that induces strong structures in the 5s ionization, causing the cross section to differ significantly from earlier results that omit this hybridization. The hybridization also affects the angular distribution asymmetry parameter of Xe 5p ionization near the Cooper minimum. The 5p cross section, on the other hand, is greatly enhanced by borrowing considerable oscillator strength from the C 60 giant plasmon resonance via the atom-fullerene dynamical interchannel coupling. Beyond the C 60 plasmon energy range the atomic subshell cross sections display confinement-induced oscillations in which, over the large 4d shape resonance region, the dominant 4d oscillations induce their ''clones'' in all degenerate weaker channels known as correlation confinement resonances.

  1. The effect of water on the stability of C60 fullerene nanowhiskers

    International Nuclear Information System (INIS)

    Miyazawa, Kun’ichi; Hotta, Kayoko

    2011-01-01

    The morphology of C 60 precipitates synthesized by using isopropyl alcohol (IPA) added with water was investigated in order to know the effect of water on the growth of C 60 nanowhiskers (C 60 NWs) in C 60 –toluene–IPA solution systems. The stability of C 60 NWs decreased and granular crystals of C 60 were formed in the solutions when IPA added with an excess amount of water was used in the liquid–liquid interfacial precipitation method. The C 60 NWs were found to be destabilized with time in the solutions added with water. The C 60 NWs dried in air showed similar Raman profiles irrespective of the use of IPA with and without water addition. The Raman profiles of granular C 60 single crystals showed the base lines much flatter than those of C 60 NWs, indicating that C 60 NWs possess a disordered crystal structure. By optimizing the growth condition, short C 60 NWs with aspect ratios ranging from 3 to 10 and an average length of about 1.8 μm were successfully fabricated. The short C 60 NWs are expected to be applicable for electrodes of organic thick film solar cells.

  2. Porous polymer monoliths functionalized through copolymerization of a C60 fullerene-containing methacrylate monomer for highly efficient separations of small molecules

    KAUST Repository

    Chambers, Stuart D.; Holcombe, Thomas W.; Švec, František; Frechet, Jean

    2011-01-01

    been prepared and their chromatographic performance have been tested for the separation of small molecules in the reversed phase. While addition of the C60-fullerene monomer to the glycidyl methacrylate-based monolith enhanced column efficiency 18-fold

  3. Fate and biological effects of silver, titanium dioxide, and C60 (fullerene) nanomaterials during simulated wastewater treatment processes

    International Nuclear Information System (INIS)

    Wang, Yifei; Westerhoff, Paul; Hristovski, Kiril D.

    2012-01-01

    As engineered nanomaterials (NMs) become used in industry and commerce their loading to sewage will increase. In this research, sequencing batch reactors (SBRs) were operated with hydraulic (HRT) and sludge (SRT) retention times representative of full-scale biological WWTPs for several weeks. Under environmentally relevant NM loadings and biomass concentrations, NMs had negligible effects on ability of the wastewater bacteria to biodegrade organic material, as measured by chemical oxygen demand (COD). Carboxy-terminated polymer coated silver nanoparticles (fn-Ag) were removed less effectively (88% removal) than hydroxylated fullerenes (fullerols; >90% removal), nano TiO 2 (>95% removal) or aqueous fullerenes (nC 60 ; >95% removal). Experiments conducted over 4 months with daily loadings of nC 60 showed that nC 60 removal from solution depends on the biomass concentration. Under conditions representative of most suspended growth biological WWTPs (e.g., activated sludge), most of the NMs will accumulate in biosolids rather than in liquid effluent discharged to surface waters. Significant fractions of fn-Ag were associated with colloidal material which suggests that efficient particle separation processes (sedimentation or filtration) could further improve removal of NM from effluent.

  4. Diels-Alders adducts of C-60 and esters of 3-(1-indenyl)-propionic acid : alternatives for [60]PCBM in polymer:fullerene solar cells

    NARCIS (Netherlands)

    Sieval, Alexander B.; Treat, Neil D.; Rozema, Desiree; Hummelen, Jan C.; Stingelin, Natalie

    2015-01-01

    A series of new, easily synthesized C-60-fullerene derivatives is introduced that allow for optimization of the interactions between rr-P3HT and the fullerene by systematic variation of the size of the ester group. Two compounds gave overall cell efficiencies of 4.8%, clearly outperforming [60]PCBM

  5. γ Radiolysis of C60 fullerene in water and water/ammonia mixtures: relevance of fullerene fate in ices of interstellar medium

    International Nuclear Information System (INIS)

    Iglesias-Groth, S.; Angelini, G.; Cataldo, F.

    2013-01-01

    The γ radiolysis of fullerene C 60 dispersed in H 2 O, H 2 O/NH 3 , H 2 O/methanol and H 2 O/NH 3 /methanol was studied at 250 and 500 kGy. It was found that C 60 originally insoluble in the above mentioned hosting matrix became soluble as a consequence of multiple hydroxylation and oxidation reaction produced by the free radicals generated by the radiolysis of the hosting matrix. The changes undergone by C 60 were studied by infrared spectroscopy (FT-IR) and by electronic absorption spectroscopy. The astrochemical consequences of the present study are that C 60 ejected in the interstellar medium for instance from protoplanetary and planetary nebulae can condense together with water and other ices in dense molecular clouds. Under the action of high energy radiation C 60 reacts with the free radicals generated from the matrix where it is embedded it is solubilized and consequently its carbon content becomes available for further abiotic processes of synthesis of molecules of astrobiological interest. The behavior of C 60 appears comparable to that of common PAHs which are also hydroxylated and oxidized under similar conditions. (author)

  6. Zero-charged catanionic lamellar liquid crystals doped with fullerene C60 for potential applications in tribology.

    Science.gov (United States)

    Chen, Mengjun; Liu, Baoyong; Wang, Xiaolin; Fu, Yanxu; Hao, Jingcheng; Li, Hongguang

    2017-09-20

    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. In the dilute region (c TTAO ≤ 5 wt%), fluorescence microscopy observations revealed the formation of vesicles (the L αv phase). Further increasing c TTAO induced a transition from the L αv phase to LLCs via a region where vesicles and lamellae coexist. With ordered hydrophobic domains, the LLCs can be used as hosts for the doping of fullerene C 60 (refers to C 60 hereafter) with the highest C 60 /TTAO weight ratio of 0.04. The doping of C 60 effectively improves the viscoelasticity of the LLCs confirmed by rheological characterization while only slight modifications on their matrixes have been detected using small angle X-ray scattering measurements. The LLC/C 60 hybrids with c TTAO = 80 wt% were then subjected to tribological measurements, and an obvious reduction in their friction coefficients and wear volumes was observed. The C 60 /TTAO weight ratio at which the best tribological performance appears was determined to be 0.01. Our results indicate that the combination of C 60 and catanionic LLCs could lead to the appearance of a new generation of environmentally-benign lubricants.

  7. Calculations of the thermal expansion, cohesive energy and thermodynamic stability of a Van der Waals crystal - fullerene C60

    International Nuclear Information System (INIS)

    Zubov, V.I.; Tretiakov, N.P.; Teixeira Rabelo, J.N.; Sanchez Ortiz, J.F.

    1994-01-01

    The temperature dependence of the intermolecular distance and the cohesive energy in the high-temperature modification of C 60 solid fullerene was studied on basis of the correlative method of unsymmetrized self-consistent field. The central intermolecular potential of Girifalco and its approximation by Yakub were used. We conclude about the decisive role of anharmonic effects at high temperatures. The discrepancy between the calculated and experimental values of intermolecular distance does not exceed 0.8% on the whole temperature interval. The temperature of loss of thermodynamic stability was obtained (∼1915 K) and a possible melting temperature was estimated (∼1400 K). ((orig.))

  8. Structure and pervaporation properties of poly(phenylene-iso-phthalamide) membranes modified by Fullerene C-60

    Czech Academy of Sciences Publication Activity Database

    Penkova, A. V.; Polotskaya, G. A.; Toikka, A. M.; Trchová, Miroslava; Šlouf, Miroslav; Urbanová, Martina; Brus, Jiří; Brožová, Libuše; Pientka, Zbyněk

    2009-01-01

    Roč. 294, 6-7 (2009), s. 432-440 ISSN 1438-7492 Institutional research plan: CEZ:AV0Z40500505 Keywords : fullerene * methanol/cyclohexane mixture * modification Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.742, year: 2009

  9. Structure and properties of poly(methyl methacrylate) (PMMA)-fullerene (C60) nanocomposites

    Science.gov (United States)

    Kropka, Jamie; Green, Peter

    2006-03-01

    We examined the rheological and dynamical mechanical (DMA) properties of PMMA-C60 nanocomposite materials with relatively low concentrations of C60, 0.1-5wt%. Decreases of the glass transition temperature (Tg), ˜7 ^oC, were observed in samples with 0.5 and 1 wt% C60. The decreases in Tg are connected to decreases of the longest relaxation time measured for the system. The plateau modulus of the composites was enhanced relative to the homopolymer but did not increase monotonically with C60 concentration. The relative changes of the relaxation time, the plateau modulus and Tg cannot be explained by the Doi-Edwards model and appear to be connected to the distribution of the nanoparticles, as determined by electron microscopy.

  10. A density functional theory investigation on amantadine drug interaction with pristine and B, Al, Si, Ga, Ge doped C60 fullerenes

    Science.gov (United States)

    Parlak, Cemal; Alver, Özgür

    2017-06-01

    Amantadine is a well-known drug for its treatment effect on Parkinson's disease and influenza infection or hepatitis. Heteroatom doped fullerenes have been extensively examined for their possible usage in sensor technology and medical applications as drug delivery vehicles. In this research, pristine and B, Al, Si, Ga, Ge doped C60 fullerenes and their interaction with amantadine drug molecule were investigated based on the density functional theory calculations. Findings suggest that doped C60 fullerenes might be used to detect the presence of amantadine and they might be used as drug delivery vehicles because of their moderately high adsorption energies with amantadine.

  11. C60 Fullerene Effects on Diphenyl-N-(trichloroacetyl)-amidophosphate Interaction with DNA In Silico and Its Cytotoxic Activity Against Human Leukemic Cell Line In Vitro

    Science.gov (United States)

    Grebinyk, A.; Prylutska, S.; Grynyuk, I.; Kolp, B.; Hurmach, V.; Sliva, T.; Amirkhanov, V.; Trush, V.; Matyshevska, O.; Slobodyanik, M.; Prylutskyy, Yu.; Frohme, M.; Ritter, U.

    2018-03-01

    New representative of carbacylamidophosphates - diphenyl-N-(trichloroacetyl)-amidophosphate (HL), which contains two phenoxy substituents near the phosphoryl group, was synthesized, identified by elemental analysis and IR and NMR spectroscopy, and tested as a cytotoxic agent itself and in combination with C60 fullerene. According to molecular simulation results, C60 fullerene and HL could interact with DNA and form a rigid complex stabilized by stacking interactions of HL phenyl groups with C60 fullerene and DNA G nucleotide, as well as by interactions of HL CCl3 group by ion-π bonds with C60 molecule and by electrostatic bonds with DNA G nucleotide. With the use of MTT test, the cytotoxic activity of HL against human leukemic CCRF-CM cells with IC50 value detected at 10 μM concentration at 72 h of cells treatment was shown. Under combined action of 16 μM C60 fullerene and HL, the value of IC50 was detected at lower 5 μM HL concentration and at earlier 48 h period of incubation, besides the cytotoxic effect of HL was observed at a low 2.5 μM concentration at which HL by itself had no influence on cell viability. Binding of C60 fullerene and HL with minor DNA groove with formation of a stable complex is assumed to be one of the possible reasons of their synergistic inhibition of CCRF-CEM cells proliferation. Application of C60 fullerene in combination with 2.5 μM HL was shown to have no harmful effect on structural stability of blood erythrocytes membrane. Thus, combined action of C60 fullerene and HL in a low concentration potentiated HL cytotoxic effect against human leukemic cells and was not followed by hemolytic effect.

  12. Polymer membranes modified by fullerene C-60 for pervaporation of organic mixtures

    Czech Academy of Sciences Publication Activity Database

    Polotskaya, G. A.; Penkova, A. V.; Pientka, Zbyněk; Toikka, A. M.

    2010-01-01

    Roč. 14, 1-3 (2010), s. 83-88 ISSN 1944-3994. [PERMEA 2009. Prague, 07.06.2009-11.06.2009] R&D Projects: GA ČR GA104/09/1165 Institutional research plan: CEZ:AV0Z40500505 Keywords : pervaporation * fullerene -containing membranes * poly(phenylene oxide) Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 0.752, year: 2010

  13. Nanoscale control of reversible chemical reaction between fullerene C60 molecules using scanning tunneling microscope.

    Science.gov (United States)

    Nakaya, Masato; Kuwahara, Yuji; Aono, Masakazu; Nakayama, Tomonobu

    2011-04-01

    The nanoscale control of reversible chemical reactions, the polymerization and depolymerization between C60 molecules, has been investigated. Using a scanning tunneling microscope (STM), the polymerization and depolymerization can be controlled at designated positions in ultrathin films of C60 molecules. One of the two chemical reactions can be selectively induced by controlling the sample bias voltage (V(s)); the application of negative and positive values of V(s) results in polymerization and depolymerization, respectively. The selectivity between the two chemical reactions becomes extremely high when the thickness of the C60 film increases to more than three molecular layers. We conclude that STM-induced negative and positive electrostatic ionization are responsible for the control of the polymerization and depolymerization, respectively.

  14. An experimental study on pool boiling characteristics of carbon nano tube (CNT) and fullerene (C-60) nanofluids

    International Nuclear Information System (INIS)

    Ai, Melani

    2009-02-01

    In recent years, it was found that pool boiling critical heat flux (CHF) increases in nanofluids. The CHF conditions are important for safe and economic design of many heat transfer units including nuclear reactor. In this study, our objective is to evaluate the impact of Carbone Nano Tubes (Singlewalled CNTs and Multiwalled CNTs) and Fullerene (C-60) nanofluids at different particle concentration on pool boiling critical heat flux experimentally at saturated conditions. Multiwalled CNT and fullerene (C-60) added in the pure water at three volume concentrations (0.01%, 0.001%, and 0.0001%). Singlewalled CNT nanoparticles added in the pure water at two volume concentrations (0.0005%, and 0.0001%). For the dispersion of nanoparticles in pure water, several treatments were performed. Multiwalled CNTs and Fullerene (C-60) prepared using acid treatment, meanwhile two treatment are using for Singlewalled CNTs: (1)Singlewalled CNTs prepared using polymer treatment, (2)Singlewalled CNTs prepared using pre polymerization of micelle treatment. The zeta potential of CNTs and Fullerene nanofluids were in the range of 13-71 mV. The zeta potential of nanofluids was constant for more than one month. It concludes that the treatment has been succeeded produces water dispersible CNTs and Fullerene nanofluids with good stability. The critical heat flux (CHFs) of the solution is enhanced greatly for all nanofluids. Enhanced (∼167.9%) CHF was observed for solutions with Multiwalled CNT nanoparticles with concentration 0.01 vol%. Enhanced (∼109.4%) CHF was observed for solutions with Singlewalled CNT nanoparticles with concentration 0.0005 vol%. Enhanced (∼108.9%) CHF was observed for solutions with Fullerene nanoparticles with concentration 0.01 vol%. The pool boiling Heat Transfer Coefficient (HTCs) of the CNTs nanofluids are lower than those of pure water in the entire nucleate boiling regime. On the other hand, the pool boiling HTCs of Fullerene nanofluids are higher than

  15. Photoionization of bonding and antibonding-type atom-fullerene hybrid states in Cd@C60 vs Zn@C60

    International Nuclear Information System (INIS)

    Javani, Mohammad H; Manson, Steven T; De, Ruma; Chakraborty, Himadri S; Madjet, Mohamed E

    2014-01-01

    Powerful hybridization of the Cd 4d state with the d-angular momentum state of C 60 π symmetry is found in the local density approximation (LDA) structure of Cd@C 60 ground state. The photoionization of the resulting symmetric and antisymmetric levels are computed using the time dependent LDA method to include electron correlations. Cross sections exhibit effects of the C 60 plasmonic motion coherently coupled to the diffraction-type cavity oscillations induced by local emissions from C 60 . The Cd@C 60 results exhibit a substantial difference from our previous results for Zn@C 60 . (paper)

  16. Removal of aqueous nC60 fullerene from water by low pressure membrane filtration

    NARCIS (Netherlands)

    Floris, R.; Nijmeijer, K.; Cornelissen, E. R.

    2016-01-01

    The potential environmental and health risks of engineered nanoparticles such as buckminsterfullerene C60 in water require their removal during the production of drinking water. We present a study focusing on (i) the removal mechanism and (ii) the elucidation of the role of the membrane pore size

  17. Volume properties and refraction of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids lysine, threonine, and oxyproline (C60(C6H13N2O2)2, C60(C4H8NO3)2, and C60(C5H9NO2)2) at 25°C

    Science.gov (United States)

    Semenov, K. N.; Ivanova, N. M.; Charykov, N. A.; Keskinov, V. A.; Kalacheva, S. S.; Duryagina, N. N.; Garamova, P. V.; Kulenova, N. A.; Nabieva, A.

    2017-02-01

    Concentration dependences of the density of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids are studied by pycnometry. Concentration dependences of the average molar volumes and partial volumes of components (H2O and corresponding bisadducts) are calculated for C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems at 25°C. Concentration dependences of the indices of refraction of C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems are determined at 25°C. The concentration dependences of specific refraction and molar refraction of bisadducts and aqueous solutions of them are calculated.

  18. Positron annihilation study of graphite, glassy carbon and C60/C70 fullerene

    International Nuclear Information System (INIS)

    Hasegawa, Masayuki; Kajino, Masahiro; Yamaguchi, Sadae; Iwata, Tadao; Kuramoto, Eiichi; Takenaka, Minoru.

    1992-01-01

    ACAR (Angular Correlation of Annihilation Radiation) and positron lifetime measurements have been made on, HOPG (Highly Oriented Pyrolytic Graphite), isotropic fine-grained graphite, glassy carbons and C 60 /C 70 powder. HOPG showed marked bimodality along the c-axis and anisotropy in ACAR momentum distribution, which stem from characteristic annihilation between 'interlayer' positrons and π-electrons in graphite. ACAR curves of the isotropic graphite and glassy carbons are even narrower than that of HOPG perpendicular to the c-axis. Positron lifetime of 420 and 390 - 480 psec, much longer than that of 221 psec in HOPG, were observed for the isotropic graphite and glassy carbons respectively, which are due to positron trapping in structural voids in them. Positron lifetime and ACAR width (FWHM) can be well correlated to void sizes (1.7 to 5.0 nm) of glassy carbons which have been determined by small angle neutron (SAN) scattering measurements. ACAR curves and positron lifetime of C 60 /C 70 powder agree well with those of glassy carbons. This shows that positron wave functions extend, as in the voids of glassy carbons, much wider than open spaces of the octahedral interstices of the face-centered cubic (FCC) structure of C 60 crystal and strongly suggests positron trapping in the 'soccer ball' vacancy. Possible positron states in the carbon materials are discussed with a simple model of void volume-trapping. Preliminary results on neutron irradiation damage in HOPG are also presented. (author)

  19. Reducing HAuCl4 by the C60 dianion: C60-directed self-assembly of gold nanoparticles into novel fullerene bound gold nanoassemblies

    International Nuclear Information System (INIS)

    Liu Wei; Gao Xiang

    2008-01-01

    The C 60 dianion is used to reduce tetrachloroauric acid (HAuCl 4 ) for the first time; three-dimensional C 60 bound gold (Au-C 60 ) nanoclusters are obtained from C 60 -directed self-assembly of gold nanoparticles due to the strong affinities of Au-C 60 and C 60 -C 60 . The process was monitored in situ by UV-vis-NIR spectroscopy. The resulting Au-C 60 nanoclusters were characterized using transmission electron microscopy (TEM), selected area electron diffraction (SAED), energy-dispersive spectroscopy (EDS), x-ray powder diffraction (XRD), x-ray photoelectron spectroscopy (XPS), and FT-IR and Raman spectroscopies. TEM demonstrates the formation of 3D nanonetwork aggregates, which are composed of discrete gold nanocores covered with a C 60 monolayer. The SAED and XRD patterns indicate that the gold nanocores inside the capped C 60 molecules belong to the face-centred cubic crystal structure, while the C 60 molecules are amorphous. The EDS and XPS measurements validate that the Au-C 60 nanoclusters contain only Au and C elements and Au 3+ is reduced to Au 0 . FT-IR spectroscopy shows the chemiadsorption of C 60 to the gold nanocores, while Raman spectroscopy demonstrates the electron transfer from the gold nanocores to the chemiadsorbed C 60 molecules. Au-C 60 nanoclusters embedded in tetraoctyl-n-ammonium bromide (TOAB) on glassy carbon electrodes (GCEs) have been fabricated and have shown stable and well-defined electrochemical responses in aqueous solution

  20. Spontaneous growth of the polyhedral fullerene crystals in the supersaturated Ni-C(60) composite

    Czech Academy of Sciences Publication Activity Database

    Vacík, Jiří; Lavrentiev, Vasyl; Michalcová, A.; Abe, H.; Horák, Pavel

    2011-01-01

    Roč. 509, č. 1 (2011), S380-S383 ISSN 0925-8388. [17th International Symposium on Metastable, Amorphous and Nanostructured Materials (ISMANAM 2010). Zurich, 04.09.2010-09.06.2010] R&D Projects: GA ČR GAP107/11/1856; GA AV ČR(CZ) KAN400480701; GA AV ČR(CZ) IAA400320901; GA AV ČR IAA200480702; GA ČR GA106/09/1264; GA MŠk(CZ) LC06041 Institutional research plan: CEZ:AV0Z10480505; CEZ:AV0Z40320502 Keywords : Nickel * Fullerene s * Phase separation * Polyhedral particles Subject RIV: JJ - Other Materials Impact factor: 2.289, year: 2011

  1. Fullerene (C-60)-transitional metal (Ti) composites: Structural and biological properties of the thin films

    Czech Academy of Sciences Publication Activity Database

    Vacík, Jiří; Lavrentiev, Vasyl; Novotná, Katarína; Bačáková, Lucie; Lisá, Věra; Vorlíček, Vladimír; Fajgar, Radek

    2010-01-01

    Roč. 19, 2-3 (2010), s. 242-246 ISSN 0925-9635. [New Diamond and Nano Carbon Conference (NDNC) 2009. Traverse City, Michigan, 07.06.2009-11.06.2009] R&D Projects: GA AV ČR(CZ) KAN400480701; GA AV ČR IAA400100701; GA AV ČR IAA200480702; GA MŠk(CZ) LC06041 Institutional research plan: CEZ:AV0Z10480505; CEZ:AV0Z50110509; CEZ:AV0Z20650511; CEZ:AV0Z40720504; CEZ:AV0Z10100520 Keywords : fullerene * titanium * composite materials Subject RIV: JI - Composite Materials Impact factor: 1.825, year: 2010

  2. Static and Dynamic Energetic Disorders in the C 60 , PC 61 BM, C 70 , and PC 71 BM Fullerenes

    KAUST Repository

    Tummala, Naga Rajesh

    2015-09-17

    We use a combination of molecular dynamics simulations and density functional theory calculations to investigate the energetic disorder in fullerene systems. We show that the energetic disorder evaluated from an ensemble average contains contributions of both static origin (time-independent, due to loose packing) and dynamic origin (time-dependent, due to electron-vibration interactions). In order to differentiate between these two contributions, we compare the results obtained from an ensemble average approach with those derived from a time average approach. It is found that in both amorphous C60 and C70 bulk systems, the degrees of static and dynamic disorder are comparable, while in the amorphous PC61BM and PC71BM systems, static disorder is about twice as large as dynamic disorder. © 2015 American Chemical Society.

  3. Modest vasomotor dysfunction induced by low doses of C60 fullerenes in apolipoprotein E knockout mice with different degree of atherosclerosis

    Directory of Open Access Journals (Sweden)

    Loft Steffen

    2009-02-01

    Full Text Available Abstract Background Exposure to small size particulate matter in urban air is regarded as a risk factor for cardiovascular effects, whereas there is little information about the impact on the cardiovascular system by exposure to pure carbonaceous materials in the nano-size range. C60 fullerenes are nano-sized particles that are expected to have a widespread use, including cosmetics and medicines. Methods We investigated the association between intraperitoneal injection of pristine C60 fullerenes and vasomotor dysfunction in the aorta of 11–13 and 40–42 weeks old apolipoprotein E knockout mice (apoE-/- with different degree of atherosclerosis. Results The aged apoE-/-mice had lower endothelium-dependent vasorelaxation elicited by acetylcholine in aorta segments mounted in myographs and the phenylephrine-dependent vasoconstriction response was increased. One hour after an intraperitoneal injection of 0.05 or 0.5 mg/kg of C60 fullerenes, the young apoE-/- mice had slightly reduced maximal endothelium-dependent vasorelaxation. A similar tendency was observed in the old apoE-/- mice. Hampered endothelium-independent vasorelaxation was also observed as slightly increased EC50 of sodium nitroprusside-induced vasorelaxation response in young apoE-/- mice. Conclusion Treatment with C60 fullerenes affected mainly the response to vasorelaxation in young apoE-/- mice, whereas the vasomotor dysfunction in old apoE-/- mice with more advanced atherosclerosis was less affected by acute C60 fullerene treatment. These findings represent an important step in the hazard characterization of C60 fullerenes by showing that intraperitoneal administration is associated with a moderate decrease in the vascular function of mice with atherosclerosis.

  4. Interaction between poly(vinyl pyrrolidone) PVP and fullerene C60 at the interface in PVP-C60 nanofluids–A spectroscopic study

    Science.gov (United States)

    Behera, M.; Ram, S.

    2018-03-01

    Fourier transform infrared and Raman bands shows a discernible enhancement in band intensity of C–H stretching, C=O stretching, C–N stretching, C–H2 bending, and C–H2 in-plane bending in PVP molecules in the presence of C60 molecules. Amplification in intensity is ascribed to microscopic interactions results when a donation of nonbonding electron (n) occurs from a “>N–C=O” entity of PVP into a lowest unoccupied molecular orbital of the C60 molecule in PVP-C60 charge transfer (CT) complex. The C=O stretching band intensity (integrated) Vs C60 content plot exhibits a peak near a critical 13.9 μM C60 value owing to percolation effect. Light emission spectra show that even a small addition of 4.63 μM C60 able to suppress the band intensity by ~23% as a result of an energy loss. The integrated band intensity also decreases through a peak near 13.9 μM when plotted against the C60-content. In correlation to the vibration spectra, the maximum effect observed both in light emission and excitation spectra suggests a percolation effect in the CT complex. Exhibition of percolation threshold in C60-PVP donor-acceptor complex will be helpful in optimizing the photovoltaic properties vital for solar cell applications.

  5. The existence of a plastic phase and a solid-liquid dynamical bistability region in small fullerene cluster (C60)7: molecular dynamics simulation

    International Nuclear Information System (INIS)

    Piatek, A; Dawid, A; Gburski, Z

    2006-01-01

    We have simulated (by the molecular dymanics (MD) method) the dynamics of fullerenes (C 60 ) in an extremely small cluster composed of only as many as seven C 60 molecules. The interaction is taken to be the full 60-site pairwise additive Lennard-Jones (LJ) potential which generates both translational and anisotropic rotational motions of each molecule. Our atomically detailed MD simulations discover the plastic phase (no translations but active reorientations of fullerenes) at low energies (temperatures) of the (C 60 ) 7 cluster. We provide the in-depth evidence of the dynamical solid-liquid bistability region in the investigated cluster. Moreover, we confirm the existence of the liquid phase in (C 60 ) 7 , the finding of Gallego et al (1999 Phys. Rev. Lett. 83 5258) obtained earlier on the basis of Girifalco's model, which assumes single-site only and spherically symmetrical interaction between C 60 molecules. We have calculated the translational and angular velocity autocorrelation functions and estimated the diffusion coefficient of fullerene in the liquid phase

  6. Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C60 fullerene using Nano-QSPR

    Directory of Open Access Journals (Sweden)

    Piotr Urbaszek

    2017-03-01

    Full Text Available Many technological implementations in the field of nanotechnology have involved carbon nanomaterials, including fullerenes such as the buckminsterfullerene, C60. The unprecedented properties of such organic nanomaterials (in particular their large surface area gained extensive attention for their potential use as organic pollutant sorbents. Sorption interactions can be very hazardous and useful at the same time. This work investigates the influence of halogenation by bromine and/or chlorine in dibenzo-p-dioxins on their sorption ability on the C60 fullerene surface. Halogenated dibenzo-p-dioxins (PXDDs, where X = Br or Cl are ever-present in the environment and accidently produced in many technological processes in only approximately known quantities. If all combinatorial Br and/or Cl dioxin substitution possibilities are present in the environment, the experimental characterization and investigation of sorbent effectiveness is more than difficult. In this work, we have developed a quantitative structure–property relationship (QSPR model (R2 = 0.998, predicting the adsorption energy [kcal/mol] for 1,701 PXDDs adsorbed on C60 (PXDD@C60. Based on the QSPR model reported herein, we concluded that the lowest energy PXDD@C60 complexes are those that the World Health Organization (WHO considers to be less dangerous with respect to the aryl hydrocarbon receptor (AhR toxicity mechanism. Therefore, the effectiveness of fullerenes as sorbent agents may be underestimated as sorption could be less effective for toxic congeners than previously believed.

  7. Electronic structure, stability and non-linear optical properties of aza-fullerenes C60-2nN2n(n=1–12

    Directory of Open Access Journals (Sweden)

    K. Srinivasu

    2012-12-01

    Full Text Available Through ab initio based density functional theory calculations, we have investigated the electronic structure, stability and non-linear optical properties of a series of nitrogen substituted fullerenes (azafullerenes with the general formula C60-2nN2n (n=1–12. For each system, we have considered different possible isomers and the minimum energy isomer is subjected to further detailed investigations. We have calculated different properties such as HOMO-LUMO gaps, vertical ionization potentials, vertical electron affinities, etc. to verify the stability of the considered fullerenes. From the Hessian calculations, it is observed that all the fullerenes are not only associated with real vibrational frequencies, but the minimum frequencies are also found to be considerably large which further confirms the stability of the considered fullerenes. We find that the presence of unperturbed C6 rings enhances the stability of the fullerene whereas, the -N-C-N- fragments are found to destabilize the structure. At lower doping concentration, the stabilization due to C6 is more predominant and as the doping concentration is increased, the destabilization due to nitrogen-nitrogen repulsion plays a more important role. Our calculated polarizability and hyperpolarizability parameters of C60 are found to be in good agreement with the earlier reported results. On nitrogen doping, considerable variation is observed in the non-linear optical coefficients, which can be helpful in designing new photonic devices.

  8. Immunotoxicity of nanoparticles: a computational study suggests that CNTs and C60 fullerenes might be recognized as pathogens by Toll-like receptors

    Science.gov (United States)

    Turabekova, M.; Rasulev, B.; Theodore, M.; Jackman, J.; Leszczynska, D.; Leszczynski, J.

    2014-03-01

    Over the last decade, a great deal of attention has been devoted to study the inflammatory response upon exposure to multi/single-walled carbon nanotubes (CNTs) and different fullerene derivatives. In particular, carbon nanoparticles are reported to provoke substantial inflammation in alveolar and bronchial epithelial cells, epidermal keratinocytes, cultured monocyte-macrophage cells, etc. We suggest a hypothetical model providing the potential mechanistic explanation for immune and inflammatory responses observed upon exposure to carbon nanoparticles. Specifically, we performed a theoretical study to analyze CNT and C60 fullerene interactions with the available X-ray structures of Toll-like receptors (TLRs) homo- and hetero-dimer extracellular domains. This assumption was based on the fact that similar to the known TLR ligands both CNTs and fullerenes induce, in cells, the secretion of certain inflammatory protein mediators, such as interleukins and chemokines. These proteins are observed within inflammation downstream processes resulted from the ligand molecule dependent inhibition or activation of TLR-induced signal transduction. Our computational studies have shown that the internal hydrophobic pockets of some TLRs might be capable of binding small-sized carbon nanostructures (5,5 armchair SWCNTs containing 11 carbon atom layers and C60 fullerene). High binding scores and minor structural alterations induced in TLR ectodomains upon binding C60 and CNTs further supported our hypothesis. Additionally, the proposed hypothesis is strengthened by the indirect experimental findings indicating that CNTs and fullerenes induce an excessive expression of specific cytokines and chemokines (i.e. IL-8 and MCP1).Over the last decade, a great deal of attention has been devoted to study the inflammatory response upon exposure to multi/single-walled carbon nanotubes (CNTs) and different fullerene derivatives. In particular, carbon nanoparticles are reported to provoke

  9. Intraperitoneal Exposure to Nano/Microparticles of Fullerene (C60) Increases Acetylcholinesterase Activity and Lipid Peroxidation in Adult Zebrafish (Danio rerio) Brain

    Science.gov (United States)

    Dal Forno, Gonzalo Ogliari; Kist, Luiza Wilges; de Azevedo, Mariana Barbieri; Fritsch, Rachel Seemann; Pereira, Talita Carneiro Brandão; Britto, Roberta Socoowski; Guterres, Sílvia Stanisçuaski; Külkamp-Guerreiro, Irene Clemes; Bonan, Carla Denise; Monserrat, José María; Bogo, Maurício Reis

    2013-01-01

    Even though technologies involving nano/microparticles have great potential, it is crucial to determine possible toxicity of these technological products before extensive use. Fullerenes C60 are nanomaterials with unique physicochemical and biological properties that are important for the development of many technological applications. The aim of this study was to evaluate the consequences of nonphotoexcited fullerene C60 exposure in brain acetylcholinesterase expression and activity, antioxidant responses, and oxidative damage using adult zebrafish as an animal model. None of the doses tested (7.5, 15, and 30 mg/kg) altered AChE activity, antioxidant responses, and oxidative damage when zebrafish were exposed to nonphotoexcited C60 nano/microparticles during 6 and 12 hours. However, adult zebrafish exposed to the 30 mg/kg dose for 24 hours have shown enhanced AChE activity and augmented lipid peroxidation (TBARS assays) in brain. In addition, the up-regulation of brain AChE activity was neither related to the transcriptional control (RT-qPCR analysis) nor to the direct action of nonphotoexcited C60 nano/microparticles on the protein (in vitro results) but probably involved a posttranscriptional or posttranslational modulation of this enzymatic activity. Taken together these findings provided further evidence of toxic effects on brain after C60 exposure. PMID:23865059

  10. Impact of C 60 fullerene on the dynamics of force-speed changes in soleus muscle of rat at ischemia-reperfusion injury.

    Science.gov (United States)

    Nozdrenko, D M; Bogutska, K I; Prylutskyy, Yu I; Korolovych, V F; Evstigneev, M P; Ritter, U; Scharff, P

    2015-01-01

    The effect of C60 fullerene nanoparticles (30-90 nm) on dynamics of force response development to stimulated soleus muscle of rat with ischemic pathology, existing in muscle during the first 5 hours and first 5 days after 2 hours of ischemia and further reperfusion, was investigated using the tensometric method. It was found that intravenous and intramuscular administration of C60 fullerene with a single dose of 1 mg/kg exert different therapeutic effects dependent on the investigated macroparameters of muscle contraction. The intravenous drug administration was shown to be the most optimal for correction of the velocity macroparameters of contraction due to muscle tissue ischemic damage. In contrast, the intramuscular administration displays protective action with respect to motions associated with generation of maximal force response or continuous contractions elevating the level of muscle fatigue. Hence, C60 fullerene, being a strong antioxidant, may be considered as a promising agent for effective therapy of pathological states of the muscle system caused by pathological action of free radical processes.

  11. Growth and Potential Damage of Human Bone-Derived Cells on Fresh and Aged Fullerene C60 Films

    Directory of Open Access Journals (Sweden)

    Jiri Vacik

    2013-04-01

    Full Text Available Fullerenes are nanoparticles composed of carbon atoms arranged in a spherical hollow cage-like structure. Numerous studies have evaluated the therapeutic potential of fullerene derivates against oxidative stress-associated conditions, including the prevention or treatment of arthritis. On the other hand, fullerenes are not only able to quench, but also to generate harmful reactive oxygen species. The reactivity of fullerenes may change in time due to the oxidation and polymerization of fullerenes in an air atmosphere. In this study, we therefore tested the dependence between the age of fullerene films (from one week to one year and the proliferation, viability and metabolic activity of human osteosarcoma cells (lines MG-63 and U-2 OS. We also monitored potential membrane and DNA damage and morphological changes of the cells. After seven days of cultivation, we did not observe any cytotoxic morphological changes, such as enlarged cells or cytosolic vacuole formation. Furthermore, there was no increased level of DNA damage. The increasing age of the fullerene films did not cause enhancement of cytotoxicity. On the contrary, it resulted in an improvement in the properties of these materials, which are more suitable for cell cultivation. Therefore, fullerene films could be considered as a promising material with potential use as a bioactive coating of cell carriers for bone tissue engineering.

  12. Growth and potential damage of human bone-derived cells on fresh and aged fullerene c60 films.

    Science.gov (United States)

    Kopova, Ivana; Bacakova, Lucie; Lavrentiev, Vasily; Vacik, Jiri

    2013-04-26

    Fullerenes are nanoparticles composed of carbon atoms arranged in a spherical hollow cage-like structure. Numerous studies have evaluated the therapeutic potential of fullerene derivates against oxidative stress-associated conditions, including the prevention or treatment of arthritis. On the other hand, fullerenes are not only able to quench, but also to generate harmful reactive oxygen species. The reactivity of fullerenes may change in time due to the oxidation and polymerization of fullerenes in an air atmosphere. In this study, we therefore tested the dependence between the age of fullerene films (from one week to one year) and the proliferation, viability and metabolic activity of human osteosarcoma cells (lines MG-63 and U-2 OS). We also monitored potential membrane and DNA damage and morphological changes of the cells. After seven days of cultivation, we did not observe any cytotoxic morphological changes, such as enlarged cells or cytosolic vacuole formation. Furthermore, there was no increased level of DNA damage. The increasing age of the fullerene films did not cause enhancement of cytotoxicity. On the contrary, it resulted in an improvement in the properties of these materials, which are more suitable for cell cultivation. Therefore, fullerene films could be considered as a promising material with potential use as a bioactive coating of cell carriers for bone tissue engineering.

  13. The influence of the admixture of the fullerene C60 on the strength properties of aluminum and copper under shock-wave loading

    International Nuclear Information System (INIS)

    Bezruchko, G S; Razorenov, S V; Popov, M Y

    2014-01-01

    Hugoniot elastic limit (HEL) and dynamic (spall) strength measurements of pressed aluminum and copper samples with an admixture of the fullerene C60 with 2-5 wt% under shock-wave loading were carried out. The peak pressure in the shock-wave was equal to 6 GPa. The measurements of the elastic-plastic and strength properties were based on the recording and the subsequent analysis of the sample free surface velocity histories, recorded by Velocity Interferometric System for Any Reflection (VISAR). It was found that the admixture of 5 wt% fullerene in aluminum samples led to an increase of the Hugoniot elastic limit for aluminum samples by a factor of ten. The copper samples with the admixture of 2 wt% fullerene also demonstrated an increase of the Hugoniot elastic limit in comparison with commercial copper. The measured values of the Hugoniot elastic limit were equal to 0.82-1.56 GPa for aluminum samples and 1.35-3.46 GPa for copper samples, depending on their porosity. As expected, the spall strength of the samples with fullerene decreased by about three times in comparison with the undoped samples as a result of the influence of the solid fullerene particles which were concentrators of tension stresses in the material under dynamic fracture.

  14. Static and Dynamic Energetic Disorders in the C 60 , PC 61 BM, C 70 , and PC 71 BM Fullerenes

    KAUST Repository

    Tummala, Naga Rajesh; Zheng, Zilong; Aziz, Saadullah G.; Coropceanu, Veaceslav; Bré das, Jean Luc

    2015-01-01

    We use a combination of molecular dynamics simulations and density functional theory calculations to investigate the energetic disorder in fullerene systems. We show that the energetic disorder evaluated from an ensemble average contains

  15. Effects of inter-fullerene π-band mixings in the photoexcitation of hybrid plasmons in the C60@C240 molecule

    Science.gov (United States)

    de, Rume; Madjet, Mohamed; Chakraborty, Himadri

    2013-05-01

    We perform a detailed study of the ground state electronic structure of a two-layer fullerene onion molecule C60@C240. Calculations are carried out in a quantum mechanical framework of local density approximation (LDA) where the onion's ion-core of sixty C4+ ions from C60 and two hundred and forty of those from C240 is smeared into a classical jellium distribution. Significant inter-fullerene mixing between the bands of single-node radial symmetry, the π-bands, is found. We then compute the photoionization from all the levels of the system using a time-dependent version of LDA at photon energies where the ionization is dominated by the inter-layer hybridization of collective plasmon resonances. It is determined, by comparing the isolated fullerene cross sections with the cross section of the onion system for both π and σ (having nodeless radial waves) symmetry, that the π-band mixing is predominantly responsible for the production of plasmon hybrids. Supported by NSF and DOE.

  16. Effects of aqueous stable fullerene nanocrystals (nC60) on the food conversion from Daphnia magna to Danio rerio in a simplified freshwater food chain.

    Science.gov (United States)

    Tao, Xianji; Li, Cuilan; Zhang, Bo; He, Yiliang

    2016-02-01

    Understanding the nanomaterial potential to the food conversion of two food chain levels is important in the ecosystem assessment as manufactured nanomaterials are being released into the environment. In this investigation, the food conversion from Daphnia magna (D. magna) (prey) to Danio rerio (D. rerio) (predator) was used as the study object of aqueous stable fullerene nanocrystals (nC60). Accumulated nC60 of D. magna was determined as the nominal initial exposure concentration for D. rerio. The results of 21-d dietary exposure experiment demonstrate that nC60 in D. magna decreased the body weight growths and condition factors of D. rerio, and reduced the food conversion ratio by 20% (from D. magna to D. rerio). Further, the experiments present that nC60 decrease three digestive enzymes activities of trypsinase, lipase, and amylase by 30, 29, and 55% in vivo, and by 60, 90, and 42% in vitro, respectively. Both in vivo and in vitro experiments indicated that nC60 was involved with the decrements of digestive enzymes activities. These decrements in digestive enzymes activities may be due to the deactivation caused by the adsorption of nC60 particles onto the surface or active center of digestive enzymes. Sum up, these results not only describe the nC60 deleterious effects on the food conversion from D. magna to D. rerio, but also provide some information regarding a probable food conversion inhibition mechanism of nC60. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. Activation of store – operated Ca(2+ entry in cisplatin resistant leukemic cells after treatment with photoexcited fullerene C(60 and cisplatin

    Directory of Open Access Journals (Sweden)

    D. V. Franskevych

    2018-04-01

    Full Text Available Ca2+-regulating system in cancer cells is suggested to be remodulated particularly by reduced store-operated Ca2+ entry (SOCE through plasma membrane in order to maintain moderately reduced cytosolic Ca2+ concentration and to avoid apoptosis. The endoplasmic reticulum (ER Ca2+ pool content and the size of SOCE in leukemic wild type (L1210 and resistant to cisplatin (L1210R cells in control, after treatment with either cisplatin (1 µg/ml or photoexcited fulleren C60 (10-5 M alone, or their combination were estimated with the use of Indo-1 AM. The SOCE in resistant to cisplatin L1210R cells was found to be lower than in the wild-type cells. After treatment with cisplatin the decrease of thapsigargin (TG-sensitive ER Ca2+ pool with no significant increase of SOCE was observed in L1210 cells, while no changes were detected in L1210R cells. Photoexcitation of intracellular accumulated fullerene C60 in the visible range of spectrum (410-700 nm was accompanied by increase of SOCE not only in sensitive, but in resistant cells as well. In resistant L1210R cells treated with photoexcited C60 essential effect of cisplatin on Ca2+ homeostasis became obvious: the size of SOCE proved to be higher than after treatment with photoexcited C60 alone. The data obtained allow suggesting­ the influence of photoexcited C60 not only on Ca2+-regulating system, but on those involved in controlling cisplatin entry into drug resistant cancer cells.

  18. Synthesis of C60(OH)18-20 in aqueous alkaline solution under O2-atmosphere

    International Nuclear Information System (INIS)

    Alves, Gustavo Catao; Ladeira, Luiz Orlando; Righi, Ariete; Krambrock, Klaus; Pinheiro, Mauricio Veloso B.; Calado, Hallen Daniel; Gil, Rossimiriam Pereira de Freitas

    2006-01-01

    In this work we report on an alternative synthesis of water-soluble fullerenes known as fullerols, aiming for biomedical applications. The synthesis is based on a process in which polyethylene glycol (PEG400) is used as phase-transfer catalyst between fullerene/benzene and aqueous NaOH solutions. The polyhydroxylation of the fullerenes occurs in the NaOH solution under a continuous flow of O 2 to enhance the reaction yield. The resulting compound was characterized with infrared spectroscopy, nuclear magnetic resonance, thermo-gravimetric analysis and optical absorption. The formation of C 60 (OH) 18-20 in high yields was confirmed. (author)

  19. Modest vasomotor dysfunction induced by low doses of C60 fullerenes in apolipoprotein E knockout mice with different degree of atherosclerosis

    DEFF Research Database (Denmark)

    Vesterdal, Lise K; Folkmann, Janne K; Jacobsen, Nicklas R

    2009-01-01

    ABSTRACT: BACKGROUND: Exposure to small size particulate matter in urban air is regarded as a risk factor for cardiovascular effects, whereas there is little information about the impact on the cardiovascular system by exposure to pure carbonaceous materials in the nano-size range. C60 fullerenes...... (apoE-/-) with different degree of atherosclerosis. RESULTS: The aged apoE-/-mice had lower endothelium-dependent vasorelaxation elicited by acetylcholine in aorta segments mounted in myographs and the phenylephrine-dependent vasoconstriction response was increased. One hour after an intraperitoneal...

  20. Ion-Regulated Allosteric Binding of Fullerenes (C-60 and C-70) by Tetrathiafulvalene-Calix[4]pyrroles

    DEFF Research Database (Denmark)

    Davis, C. M.; Lim, J. M.; Larsen, K. R.

    2014-01-01

    of the C4P in a ball-and-socket binding mode. The interactions between the TTF-C4P receptors and the fullerene guests are highly influenced by both the nature of halide anions and their counter tetraalkylammonium cations. Three halides (F-, Cl-, and Br-) were studied. All three potentiate the binding...

  1. Neuronal uptake and intracellular superoxide scavenging of a fullerene (C60)-poly(2-oxazoline)s nanoformulation

    KAUST Repository

    Tong, Jing; Zimmerman, Matthew C.; Li, Shumin; Yi, Xiang; Luxenhofer, Robert; Jordan, Rainer; Kabanov, Alexander V.

    2011-01-01

    and random copolymer to form nano-complexes. These C(60)-polymer complexes were characterized by UV-vis spectroscopy, infrared spectroscopy (IR), dynamic light scattering (DLS), atomic force microscopy (AFM) and transmission electron microscopy (TEM

  2. Dirac-Fock-Slater calculations on the geometric and electronic structure of neutral and multiply charged C60 fullerenes

    International Nuclear Information System (INIS)

    Bastug, T.; Kuerpick, P.; Meyer, J.; Sepp, W.; Fricke, B.; Rosen, A.

    1997-01-01

    Using a self-consistent relativistic molecular Dirac-Fock-Slater method we have determined the geometric structures and ionization energies of C 60 x t (x=0 endash 7). The lengths of the bonds for the pentagonal edge (single bonds) and the bonds shared by hexagonal rings (double bonds) are found to increase as a function of charge state with an expansion of the cage. The binding energy per atom of C 60 x t (x=0 endash 7) shows a quadratic dependence on the charge state of the C 60 cluster and an extrapolation to higher charge states reveals that C 60 x t should still be bound up to x=13. Charging of the clusters are analyzed using a classical capacitance model and compared with results from other calculations. Calculated ionization potentials are found to increase linearly with the charge while the available experimental data with comparatively big uncertainties indicate a small quadratic dependence. copyright 1997 The American Physical Society

  3. Kelvin probe force microscopy studies of the charge effects upon adsorption of carbon nanotubes and C60 fullerenes on hydrogen-terminated diamond

    Science.gov (United States)

    Kölsch, S.; Fritz, F.; Fenner, M. A.; Kurch, S.; Wöhrl, N.; Mayne, A. J.; Dujardin, G.; Meyer, C.

    2018-01-01

    Hydrogen-terminated diamond is known for its unusually high surface conductivity that is ascribed to its negative electron affinity. In the presence of acceptor molecules, electrons are expected to transfer from the surface to the acceptor, resulting in p-type surface conductivity. Here, we present Kelvin probe force microscopy (KPFM) measurements on carbon nanotubes and C60 adsorbed onto a hydrogen-terminated diamond(001) surface. A clear reduction in the Kelvin signal is observed at the position of the carbon nanotubes and C60 molecules as compared with the bare, air-exposed surface. This result can be explained by the high positive electron affinity of carbon nanotubes and C60, resulting in electron transfer from the surface to the adsorbates. When an oxygen-terminated diamond(001) is used instead, no reduction in the Kelvin signal is obtained. While the presence of a charged adsorbate or a difference in work function could induce a change in the KPFM signal, a charge transfer effect of the hydrogen-terminated diamond surface, by the adsorption of the carbon nanotubes and the C60 fullerenes, is consistent with previous theoretical studies.

  4. Semi-flexible polymer engendered aggregation/dispersion of fullerene (C60) nano-particles: An atomistic investigation

    Science.gov (United States)

    Kumar, Sunil; Pattanayek, Sudip K.

    2018-06-01

    Semi flexible polymer chain has been modeled by choosing various values of persistent length (stiffness). As the polymer chain stiffness increases, the shape of polymer chain changes from globule to extended cigar to toroid like structure during cooling from a high temperature. The aggregation of fullerene nano-particles is found to depend on the morphology of polymer chain. To maximize, the number of polymer bead-nanoparticle contacts, all nano-particle have positioned inside the polymer globule. To minimize, the energy penalty, due to bending of the polymer chain, all nano-particle have positioned on the surface of the polymer's cigar and toroid morphology.

  5. Fullerene C60 films of continuous and micropatterned morphology as substrates for adhesion and growth of bone cells

    Czech Academy of Sciences Publication Activity Database

    Grausová, Ľubica; Vacík, Jiří; Vorlíček, Vladimír; Švorčík, V.; Slepička, P.; Bílková, Petra; Vandrovcová, Marta; Lisá, Věra; Bačáková, Lucie

    2009-01-01

    Roč. 18, 2-3 (2009), s. 578-586 ISSN 0925-9635 R&D Projects: GA ČR(CZ) GA204/06/0225; GA AV ČR(CZ) KAN400480701; GA ČR(CZ) GA101/06/0226 Grant - others:GA AV ČR(CZ) IAA400100701; GA Mšk(CZ) LC06041 Program:IA; LC Institutional research plan: CEZ:AV0Z50110509; CEZ:AV0Z10480505; CEZ:AV0Z20430508; CEZ:AV0Z10100520 Keywords : fullerene * microdomene * bone Subject RIV: EI - Biotechnology ; Bionics Impact factor: 1.822, year: 2009

  6. High-precision measurement of the electron spin g factor of trapped atomic nitrogen in the endohedral fullerene N@C60

    Science.gov (United States)

    Wittmann, J. J.; Can, T. V.; Eckardt, M.; Harneit, W.; Griffin, R. G.; Corzilius, B.

    2018-05-01

    The electronic g factor carries highly useful information about the electronic structure of a paramagnetic species, such as spin-orbit coupling and dia- or paramagnetic (de-)shielding due to local fields of surrounding electron pairs. However, in many cases, a near "spin-only" case is observed, in particular for light elements, necessitating accurate and precise measurement of the g factors. Such measurement is typically impeded by a "chicken and egg situation": internal or external reference standards are used for relative comparison of electron paramagnetic resonance (EPR) Larmor frequencies. However, the g factor of the standard itself usually is subject to a significant uncertainty which directly limits the precision and/or accuracy of the sought after sample g factor. Here, we apply an EPR reference-free approach for determining the g factor of atomic nitrogen trapped within the endohedral fullerene C60:N@C60 in its polycrystalline state by measuring the 1H NMR resonance frequency of dispersing toluene at room temperature. We found a value of g = 2.00204 (4) with a finally reached relative precision of ∼20 ppm. This accurate measurement allows us to directly compare the electronic properties of N@C60 to those found in atomic nitrogen in the gas phase or trapped in other solid matrices at liquid helium temperature. We conclude that spin-orbit coupling in N@C60 at room temperature is very similar in magnitude and of same sign as found in other inert solid matrices and that interactions between the quartet spin system and the C60 molecular orbitals are thus negligible.

  7. Photodetachment of negative C60- ions

    International Nuclear Information System (INIS)

    Amusia, M.Ya.; Baltenkov, A.S.; Krakov, B.G.

    1998-01-01

    A model that describes the electron structure of negative fullerene C 60 - ions is proposed. The model contains only two experimentally observed parameters, namely the fullerene radius and the affinity energy of the electron to neutral C 60 . In the frame of this model, cross sections are calculated of elastic scattering of slow electrons on neutral fullerene, of C 60 - photodetachment near the threshold of this process and of radiative recombination of slow electrons with neutral fullerenes. (orig.)

  8. Cyclovoltammetric acetylcholinesterase activity assay after inhibition and subsequent reactivation by using a glassy carbon electrode modified with palladium nanorods composited with functionalized C60 fullerene

    International Nuclear Information System (INIS)

    Ye, Cui; Zhong, Xia; Chai, Yaqin; Yuan, Ruo; Wang, Min-Qiang

    2016-01-01

    A glassy carbon electrode (GCE) was modified with a nanocomposite consisting of tetraoctylammonium bromide (TOAB), C 60 fullerene, and palladium nanorods (PdNRs). The PdNRs were hydrothermally prepared and had a typical width of 20 ± 2 nm. The nanocomposite forms stable films on the GCE and exhibits a reversible redox pair for the C 60 /C 60 − system while rendering the surface to be positively charged. The modified GCE was applied to fabricate an electrochemical biosensor for detecting acetylcholinesterase (AChE) by measurement of the amount of thiocholine formed from acetylthiocholine, best at a working voltage of −0.19 V (vs. SCE). The detection scheme is based on (a) measurement of the activity of ethyl paraoxon-inhibited AChE, and (b) measurement of AChE activity after reactivation with pralidoxime (2-PAM). Compared to the conventional methods using acetylthiocholine as a substrate, the dual method presented here provides data on the AChE activity after inhibition and subsequent reactivation, thereby yielding credible data on reactivated enzyme activity. The linear analytical range for AChE activity extends from 2.5 U L −1 to 250 kU·L −1 , and the detection limit is 0.83 U L −1 . (author)

  9. The C60-Fullerene Porphyrin Adducts for Prevention of the Doxorubicin-Induced Acute Cardiotoxicity in Rat Myocardial Cells

    Directory of Open Access Journals (Sweden)

    Seyed Vahid Shetab Boushehri

    2010-10-01

    Full Text Available This is a fullerene-based low toxic nanocationite designed for targeted delivery of the paramagnetic stable isotope of magnesium to the doxorubicin (DXR-induced damaged heart muscle providing a prominent effect close to about 80% recovery of the tissue hypoxia symptoms in less than 24 hrs after a single injection (0.03 - 0.1 LD50. Magnesium magnetic isotope effect selectively stimulates the ATP formation in the oxygen-depleted cells due to a creatine kinase (CK and mitochondrial respiratory chain-focusing "attack" of 25Mg2+ released by nanoparticles. These "smart nanoparticles" with membranotropic properties release the overactivating cations only in response to the intracellular acidosis. The resulting positive changes in the energy metabolism of heart cell may help to prevent local myocardial hypoxic (ischemic disorders and, hence, to protect the heart muscle from a serious damage in a vast variety of the hypoxia-induced clinical situations including DXR side effects.

  10. In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C60Fullerenes

    KAUST Repository

    Martínez, Juan Pablo

    2016-04-10

    Density functional theory calculations have been used to explore the potential of Ru-based complexes with 1,3-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene (SIMes) ligand backbone (A) being modified in silico by the insertion of a C60 molecule (B and C), as olefin metathesis catalysts. To this end, we investigated the olefin metathesis reaction catalyzed by complexes A, B, and C using ethylene as the substrate, focusing mainly on the thermodynamic stability of all possible reaction intermediates. Our results suggest that complex B bearing an electron-withdrawing N-heterocyclic carbene improves the performance of unannulated complex A. The efficiency of complex B is only surpassed by complex A when the backbone of the N-heterocyclic carbene of complex A is substituted by two amino groups. The particular performance of complexes B and C has to be attributed to electronic factors, that is, the electronic-donating capacity of modified SIMes ligand rather than steric effects, because the latter are predicted to be almost identical for complexes B and C when compared to those of A. Overall, this study indicates that such Ru-based complexes B and C might have the potential to be effective olefin metathesis catalysts. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C60Fullerenes

    KAUST Repository

    Martí nez, Juan Pablo; Vummaleti, Sai V. C.; Falivene, Laura; Nolan, Steven P.; Cavallo, Luigi; Solà , Miquel; Poater, Albert

    2016-01-01

    Density functional theory calculations have been used to explore the potential of Ru-based complexes with 1,3-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene (SIMes) ligand backbone (A) being modified in silico by the insertion of a C60 molecule (B and C), as olefin metathesis catalysts. To this end, we investigated the olefin metathesis reaction catalyzed by complexes A, B, and C using ethylene as the substrate, focusing mainly on the thermodynamic stability of all possible reaction intermediates. Our results suggest that complex B bearing an electron-withdrawing N-heterocyclic carbene improves the performance of unannulated complex A. The efficiency of complex B is only surpassed by complex A when the backbone of the N-heterocyclic carbene of complex A is substituted by two amino groups. The particular performance of complexes B and C has to be attributed to electronic factors, that is, the electronic-donating capacity of modified SIMes ligand rather than steric effects, because the latter are predicted to be almost identical for complexes B and C when compared to those of A. Overall, this study indicates that such Ru-based complexes B and C might have the potential to be effective olefin metathesis catalysts. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Influences of atom Ar on Ar at C60 + Ar at C60 collisions

    International Nuclear Information System (INIS)

    Zhao Qiang; Zhou Hongyu; Zhang Fengshou

    2007-01-01

    A semi-emperical molecular dynamics model was developed. The central collisions of C 60 + C 60 and Ar at C 60 + Ar at C 60 at the same incident energy were investigated within this model. The fullerene dimers could be formed by a self-assembly of C 60 fullerene, and the new fullerene structure like 'peanut' could be formed by a self-assembly of Ar at C 60 . It was found that atom Ar had a great effect on the collision of Ar at C 60 + Ar at C 60 . (authors)

  13. Linear-dendritic supramolecular complexes as nanoscale reaction vessels for "green" chemistry. Diels-Alder reactions between fullerene C60 and polycyclic aromatic hydrocarbons in aqueous medium.

    Science.gov (United States)

    Simonyan, Arsen; Gitsov, Ivan

    2008-10-21

    This study describes the first Diels-Alder (DA) reaction performed in aqueous medium with highly hydrophobic compounds-fullerene (C 60) as the dienophile and anthracene (An) or tetracene (Tet) as the dienes, respectively. The reactions are performed in nanocontainers, constructed by self-assembly of linear-dendritic amphiphilic copolymers with poly(ethylene glycol), PEG or poly(ethylene oxide), PEO as the hydrophilic blocks and poly(benzyl ether) monodendrons as the hydrophobic fragments: G3PEO13k, dG3 and dG2. Comparative studies under identical conditions are carried out with an amphiphilic linear-linear copolymer, poly(styrene)1800- block-PEO2100, PSt-PEO, and the nonionic surfactant Igepal CO-720, IP720. The binding affinity of supermolecules built of these amphiphiles toward the DA reagents decreases in the following order: G3PEO13k > dG3 > PSt-PEO > dG2 > IP720. The kinetic constant of binding is evaluated for tetracene and decreases in a similar fashion: 5 x 10 (-7) M/min (G3PEO13k), through 4 x 10 (-7) M/min (PSt-PEO) down to 1.5 x 10 (-7) M/min for IP720. The mobility of substrates encapsulated in the micellar core, estimated by pyrene fluorescence decay, is 95-121 ns for the micelles of the linear-dendritic copolymers and notably higher for PSt-PEO (152 ns), revealing the much denser interior of the linear analogue. The apparent kinetic constant for the DA reaction of C 60 and Tet within the G3PEO13k supermolecule in aqueous medium is markedly higher than in organic solvent (toluene), 208 vs 1.82 M /min. With G3PEO13k the conversions reach 49% for the DA reaction between C 60 and An, and 55% for C 60 and Tet. Besides the monoadduct (26.5% yield) the reaction with An produces exclusively increasing amounts of D 2 h -symmetric antipodal bis-adduct, whose yield reaches up to 22.5% after 48 h. In addition to the environmentally friendly conditions notable advantages of the synthetic strategy described are the extended stability of the linear

  14. Highly Stable [C60AuC60]+/- Dumbbells.

    Science.gov (United States)

    Goulart, Marcelo; Kuhn, Martin; Martini, Paul; Chen, Lei; Hagelberg, Frank; Kaiser, Alexander; Scheier, Paul; Ellis, Andrew M

    2018-05-17

    Ionic complexes between gold and C 60 have been observed for the first time. Cations and anions of the type [Au(C 60 ) 2 ] +/- are shown to have particular stability. Calculations suggest that these ions adopt a C 60 -Au-C 60 sandwich-like (dumbbell) structure, which is reminiscent of [XAuX] +/- ions previously observed for much smaller ligands. The [Au(C 60 ) 2 ] +/- ions can be regarded as Au(I) complexes, regardless of whether the net charge is positive or negative, but in both cases, the charge transfer between the Au and C 60 is incomplete, most likely because of a covalent contribution to the Au-C 60 binding. The C 60 -Au-C 60 dumbbell structure represents a new architecture in fullerene chemistry that might be replicable in synthetic nanostructures.

  15. Porous polymer monoliths functionalized through copolymerization of a C60 fullerene-containing methacrylate monomer for highly efficient separations of small molecules

    KAUST Repository

    Chambers, Stuart D.

    2011-12-15

    Monolithic poly(glycidyl methacrylate-co-ethylene dimethacrylate) and poly(butyl methacrylate-co-ethylene dimethacrylate) capillary columns, which incorporate the new monomer [6,6]-phenyl-C 61-butyric acid 2-hydroxyethyl methacrylate ester, have been prepared and their chromatographic performance have been tested for the separation of small molecules in the reversed phase. While addition of the C60-fullerene monomer to the glycidyl methacrylate-based monolith enhanced column efficiency 18-fold, to 85 000 plates/m at a linear velocity of 0.46 mm/s and a retention factor of 2.6, when compared to the parent monolith, the use of butyl methacrylate together with the carbon nanostructured monomer afforded monolithic columns with an efficiency for benzene exceeding 110 000 plates/m at a linear velocity of 0.32 mm/s and a retention factor of 4.2. This high efficiency is unprecedented for separations using porous polymer monoliths operating in an isocratic mode. Optimization of the chromatographic parameters affords near baseline separation of 6 alkylbenzenes in 3 min with an efficiency of 64 000 plates/m. The presence of 1 wt % or more of water in the polymerization mixture has a large effect on both the formation and reproducibility of the monoliths. Other factors such as nitrogen exposure, polymerization conditions, capillary filling method, and sonication parameters were all found to be important in producing highly efficient and reproducible monoliths. © 2011 American Chemical Society.

  16. Intrahippocampal Pathways Involved in Learning/Memory Mechanisms are Affected by Intracerebral Infusions of Amyloid-β25-35 Peptide and Hydrated Fullerene C60 in Rats.

    Science.gov (United States)

    Gordon, Rita; Podolski, Igor; Makarova, Ekaterina; Deev, Alexander; Mugantseva, Ekaterina; Khutsyan, Sergey; Sengpiel, Frank; Murashev, Arkady; Vorobyov, Vasily

    2017-01-01

    Primary memory impairments associated with increased level of amyloid-β (Aβ) in the brain have been shown to be linked, partially, with early pathological changes in the entorhinal cortex (EC) which spread on the whole limbic system. While the hippocampus is known to play a key role in learning and memory mechanisms, it is as yet unclear how its structures are involved in the EC pathology. In this study, changes in memory and neuronal morphology in male Wistar rats intrahippocampally injected with Aβ25-35 were correlated on days 14 and 45 after the injection to reveal specific cognitive-structural associations. The main focus was on the dentate gyrus (DG) and hippocampal areas of CA1 and CA3 because of their involvement in afferent flows from EC to the hippocampus through tri-synaptic (EC → DG → CA3 → CA1) and/or mono-synaptic (EC → CA1) pathways. Evident memory impairments were observed at both time points after Aβ25-35 injection. However, on day 14, populations of morphological intact neurons were decreased in CA3 and, drastically, in CA1, and the DG supramedial bundle was significantly damaged. On day 45, this bundle largely and CA1 neurons partially recovered, whereas CA3 neurons remained damaged. We suggest that Aβ25-35 primarily affects the tri-synaptic pathway, destroying the granular cells in the DG supramedial area and neurons in CA3 and, through the Schaffer collaterals, in CA1. Intrahippocampal pretreatment with hydrated fullerene C60 allows the neurons and their connections to survive the amyloidosis, thus supporting the memory mechanisms.

  17. Effect of intra-membrane C60 fullerenes on the modulus of elasticity and the mechanical resistance of gel and fluid lipid bilayers

    Science.gov (United States)

    Zhou, Jihan; Liang, Dehai; Contera, Sonia

    2015-10-01

    Penetration and partition of C60 to the lipid bilayer core are both relevant to C60 toxicity, and useful to realise C60 biomedical potential. A key aspect is the effect of C60 on bilayer mechanical properties. Here, we present an experimental study on the mechanical effect of the incorporation of C60 into the hydrophobic core of fluid and gel phase zwitterionic phosphatidylcholine (PC) lipid bilayers. We demonstrate its incorporation inside the hydrophobic lipid core and the effect on the packing of the lipids and the vesicle size using a combination of infrared (IR) spectroscopy, atomic force microscopy (AFM) and laser light scattering. Using AFM we measured the Young's modulus of elasticity (E) of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) and 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) in the absence (presence) of intra-membranous C60 at 24.5 °C. E of fluid phase supported bilayers is not altered by C60, but E increases with incorporation of C60 in gel phase bilayers. The increase is higher for longer hydrocarbon chains: 1.6 times for DPPC and 2 times for DSPC. However the mechanical resistance of gel phase bilayers of curved bilayered structures decreases with the incorporation of C60. Our combined results indicate that C60 causes a decrease in gel phase lipid mobility, i.e. an increase in membrane viscosity.

  18. Genotoxicity, cytotoxicity, and reactive oxygen species induced by single-walled carbon nanotubes and C(60) fullerenes in the FE1-Mutatrade markMouse lung epithelial cells

    DEFF Research Database (Denmark)

    Jacobsen, Nicklas Raun; Pojana, Giulio; White, Paul

    2008-01-01

    in the greatest reactive oxygen species generation followed by SWCNT and C(60) in both cellular and cell-free particle suspensions. C(60) and SWCNT did not increase the level of strand breaks, but significantly increased the level of FPG sensitive sites/oxidized purines (22 and 56%, respectively) determined...... by the comet assay. The mutant frequency in the cII gene was unaffected by 576 hr of exposure to either 100 microg/ml C(60) or SWCNT when compared with control incubations, whereas we have previously reported that carbon black and diesel exhaust particles induce mutations using an identical exposure scenario....... These results indicate that SWCNT and C(60) are less genotoxic in vitro than carbon black and diesel exhaust particles....

  19. Perturbed Angular Correlation Study of the Static and Dynamic Aspects of Cadmium and Mercury Atoms Inside and Attached to a C60 Fullerene Cage

    CERN Document Server

    Das, Satyendra K; Banerjee, Debasish; Johnston, Karl; Das, Parnika; Butz, Tilman; Amaral, Vitor S; Correia, Joao G; Barbosa, Marcelo B

    2014-01-01

    30 keV Cd-111m and 50 keV Hg-199m beams from ISOLDE were used to implant on preformed targets of C-60 with a thickness of 1 mg cm(-2). Endofullerene compounds, viz. Cd-111m@C-60 and Hg-199m@C-60 formed during implantation were separated by filtration through micropore filter paper followed by solvent extraction. Dried samples of the endofullerene compounds were counted for the time differential perturbed angular correlation (TDPAC) measurement using the coincidence of the 151-245 keV cascade of Cd-111m and the 374 158 keV cascade of Hg-199m on a six LaBr3(Ce) detector system coupled with digital electronics. The results for 111mCd@C60 indicate a single static component (27\\%) and a fast relaxing component (73\\%), the latter implying that the cadmium atom moves rapidly inside the cage at room temperature. The quadrupole interaction frequency and asymmetry parameter of the cadmium atom occupying the static site in C60 are omega(Q) = 8.21(36) Mrad s(-1) and eta = 0.41(9), respectively. The fast relaxation con...

  20. Bioapplication and activity of fullerenol C60(OH)24

    African Journals Online (AJOL)

    STORAGESEVER

    2008-12-29

    Dec 29, 2008 ... represent a class of sphere-shaped molecules made entirely of .... 4942 Afr. J. Biotechnol. fullerenes. ... C60 and fullerenols C60(OH)x apparently employ different ... Alzheimer's and Parkinson's diseases, type-C hepatitis.

  1. Effects of fullerene (C60), multi-wall carbon nanotubes (MWCNT), single wall carbon nanotubes (SWCNT) and hydroxyl and carboxyl modified single wall carbon nanotubes on riverine microbial communities.

    Science.gov (United States)

    Lawrence, J R; Waiser, M J; Swerhone, G D W; Roy, J; Tumber, V; Paule, A; Hitchcock, A P; Dynes, J J; Korber, D R

    2016-05-01

    Commercial production of nanoparticles (NP) has created a need for research to support regulation of nanotechnology. In the current study, microbial biofilm communities were developed in rotating annular reactors during continuous exposure to 500 μg L(-1) of each nanomaterial and subjected to multimetric analyses. Scanning transmission X-ray spectromicroscopy (STXM) was used to detect and estimate the presence of the carbon nanomaterials in the biofilm communities. Microscopy observations indicated that the communities were visibly different in appearance with changes in abundance of filamentous cyanobacteria in particular. Microscale analyses indicated that fullerene (C60) did not significantly (p carbon utilization revealed few significant effects with the exception of the utilization of carboxylic acids. PCA and ANOSIM analyses of denaturing gradient gel electrophoresis (DGGE) results indicated that the bacterial communities exposed to fullerene were not different from the control, the MWCNT and SWNT-OH differed from the control but not each other, whereas the SWCNT and SWCNT-COOH both differed from all other treatments and were significantly different from the control (p carbon nanomaterials significantly alter aspects of microbial community structure and function supporting the need for further evaluation of their effects in aquatic habitats.

  2. Buckminsterfullerene's (C60) octanol-water partition coefficient (Kow) and aqueous solubility.

    Science.gov (United States)

    Jafvert, Chad T; Kulkarni, Pradnya P

    2008-08-15

    To assess the risk and fate of fullerene C60 in the environment, its water solubility and partition coefficients in various systems are useful. In this study, the log Kow of C60 was measured to be 6.67, and the toluene-water partition coefficient was measured at log Ktw = 8.44. From these values and the respective solubilities of C60 in water-saturated octanol and water-saturated toluene, C60's aqueous solubility was calculated at 7.96 ng/L(1.11 x 10(-11) M) for the organic solvent-saturated aqueous phase. Additionally, the solubility of C60 was measured in mixtures of ethanol-water and tetrahydrofuran-water and modeled with Wohl's equation to confirm the accuracy of the calculated solubility value. Results of a generator column experiment strongly support the hypothesis that clusters form at aqueous concentrations below or near this calculated solubility. The Kow value is compared to those of other hydrophobic organic compounds, and bioconcentration factors for C60 were estimated on the basis of Kow.

  3. Asymmetric fission and evaporation of Cr+60 (r = 2-4) fullerene ions in ion-C60 collisions: III. Universal behaviour of fission

    International Nuclear Information System (INIS)

    Bordenave-Montesquieu, D; Bordenave-Montesquieu, A; Rentenier, A; Moretto-Capelle, P

    2005-01-01

    The behaviour of the asymmetrical fission (AF) scheme (correlated ion distributions) against the collision conditions is investigated using H + x (x = 1-3) and He + projectiles in the 1-130 keV collision energy range. The present work is an extension of our recent publications on this topic using 11 keV protons (Rentenier et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 2429 and 2455). The threshold for AF is observed at 2 keV proton energy corresponding to a maximum deposited energy equal to about 41 eV. The main result concerns the fragment distributions resulting from AF of C r+ 60 ions, and secondary dissociation of even-n C + n fragments, which are both found to remain independent of the projectile species and collision velocity. These findings indicate that they are insensitive to the internal energy distributions of the parent ions. In addition, a contribution of binary collisions between the projectile and individual carbon atoms of the C 60 molecule to AF is identified in the C + 1 production at the lowest collision velocities, the so-called impulsive fragmentation

  4. Material properties and purity of C60

    International Nuclear Information System (INIS)

    Werner, H.; Bublak, D.; Goebel, U.; Henschke, B.; Bensch, W.; Schloegl, R.

    1992-01-01

    The fullerenes can be described as molecular analogues of activated charcoal with a large inner surface. Accordingly, in the solid state, C 60 adsorbs organic molecules and oxygen from the air. The conditions of the production, purification, and storage therefore dictate the electronic and dynamic properties of the van der Waals crystals. Obtaining fullerene samples with defined and reproducible properties is more difficult than previously thought. (orig.) [de

  5. Fullerenes

    CERN Document Server

    Ehrenreich, Henry

    1994-01-01

    Fullerenes or"buckyballs,"a new carbon-based family of materials, have fascinated the scientific community for the past few years. These materials are likely to find applications ranging from lubricants to batteries to biological magic bullets, which will be of great importance in the science and technology of the next century. This carefully edited volume, the first to include Frans Spaepen as co-editor, summarizes our present understanding in a series of didacticarticles, which take the reader from the fundamentals to the present cutting-edge research. A general overview is followed by chapters devoted to synthesis and characterization of fullerenes and their derivatives, the novel structural properties of buckyballs, tubes, and buckyonions, a theoretical and experimental view of electrons and phonons, and finally to the fascinating superconducting properties of these materials.Key Features* Presents systematic overview of entire field* Discusses synthesis, characterization, structure, and superconducting p...

  6. π plasmon modes in C60 clusters

    International Nuclear Information System (INIS)

    Nguyen Van Giai; Lipparini, E.

    1992-07-01

    RPA correlations and collective excitations of π electrons in the C 60 cluster, the fullerene molecule are studied, by using the sum rule approach and linear response theory. The results for the excitation spectrum are discussed in relation to experimental data and to other theoretical approaches. (K.A.) 17 refs.; 4 figs

  7. STM topographical images of C60

    International Nuclear Information System (INIS)

    Wang, Z.; Zhang, P.; Moskovits, M.

    1991-01-01

    In this paper STM topographical images of C 60 are reported. The images are consistent with a molecule approximately 9 Angstrom in diameter possessing the now-famous soccer ball structure. With the molecule deposited on gold, its atomic structure is not resolved. On graphite the structure of the within the borders of the C 60 molecule is dominated by that of the graphite forming a moire-like pattern. Some evidence of atomic structure is seen in multilayers of C 60 where some five- and six-membered rings are visible. These may, however, be features of fragments of the fullerene rather than whole molecules

  8. Mechanochemical Preparation of Stable Sub-100 nm γ-Cyclodextrin:Buckminsterfullerene (C60) Nanoparticles by Electrostatic or Steric Stabilization.

    Science.gov (United States)

    Van Guyse, Joachim F R; de la Rosa, Victor R; Hoogenboom, Richard

    2018-02-21

    Buckminster fullerene (C 60 )'s main hurdle to enter the field of biomedicine is its low bioavailability, which results from its extremely low water solubility. A well-known approach to increase the water solubility of C 60 is by complexation with γ-cyclodextrins. However, the formed complexes are not stable in time as they rapidly aggregate and eventually precipitate due to attractive intermolecular forces, a common problem in inclusion complexes of cyclodextrins. In this study we attempt to overcome the attractive intermolecular forces between the complexes by designing custom γ-cyclodextrin (γCD)-based supramolecular hosts for C 60 that inhibit the aggregation found in native γCD-C 60 complexes. The approach entails the introduction of either repulsive electrostatic forces or increased steric hindrance to prevent aggregation, thus enhancing the biomedical application potential of C 60 . These modifications have led to new sub-100 nm nanostructures that show long-term stability in solution. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Studies of C60 in fossil of dinosaur egg shell

    International Nuclear Information System (INIS)

    Wang Zhenxia; Li Xuepeng; Wang Wenmin; Xu Xunjiang; Tang Zichao; Huang Rongbin; Zheng Lansun

    1998-01-01

    The occurrence of C 60 in unearthed fossil of dinosaur egg shell about 70 million years ago was reported. The results are discussed considering possible effects of the conceivable atmosphere pollution on the growth of fullerene molecules

  10. C60 as a Faraday cage

    Science.gov (United States)

    Delaney, P.; Greer, J. C.

    2004-01-01

    Endohedral fullerenes have been proposed for a number of technological uses, for example, as a nanoscale switch, memory bit and as qubits for quantum computation. For these technology applications, it is important to know the ease with which the endohedral atom can be manipulated using an applied electric field. We find that the Buckminsterfullerene (C60) acts effectively as a small Faraday cage, with only 25% of the field penetrating the interior of the molecule. Thus influencing the atom is difficult, but as a qubit the endohedral atom should be well shielded from environmental electrical noise. We also predict how the field penetration should increase with the fullerene radius.

  11. Iron ion implantation into C60 layer

    International Nuclear Information System (INIS)

    Racz, R.; Biri, S.; Csik, A.; Vad, K.

    2011-01-01

    Complete text of publication follows. The soccer ball shaped carbon molecule consisting of 60 carbon atoms (C 60 , fullerene) was discovered in 1985. Since that time the fullerene has become intensively studied. This special molecule has much potential in medical care, biotechnology and nanotechnology. We are motivated to produce special type fullerenes, so called endohedral fullerenes (some alien atoms are encapsulated inside the fullerene cage). The spring of our motivation is that the Fe at C 60 could be applied as a contrast material for MRI (Magnetic Resonance Imaging) or microwave heat therapy. One way to make X at C 60 is the surface production using an ECRIS (Electron Cyclotron Resonance Ion Source). An evaporated or preprepared fullerene layer is irradiated by ions to form a new material during the implantation. By this method several kinds of atomic species, such as Li, Na, K, Rb, Xe were encapsulated into the fullerenes. However evidence for the Fe at C 60 has not been found yet. During the analysis of the irradiated samples three questions must be answered. 1. Are there iron atoms in the layer and where? 2. Does the iron bond to the fullerene? 3. How does the iron bond to the fullerene, inside or outside? Using different investigation tools, SNMS (Secondary Neural Mass Spectrometer), MALDI-TOF (Matrix Assisted Laser Desorption Ionization Time of Flight), XPS (Xray Photoelectron Spectroscopy) or HPLC (High-Performance Liquid Chromatography), all these questions could be clarified step by step. In this paper we made the first steps to answer the first question: fullerene layers irradiated by iron ion beam delivered by the ATOMKI-ECRIS have been analyzed by the ATOMKI-SNMS. The evaporated 90 - 120 nm thick fullerene layers on Si holder were irradiated by Fe 5+ and Fe + ion beams produced from Ferrocene vapor. Samples were irradiated with two different doses (5 10 18 ion/cm 3 and 10 22 ion/cm 3 ) at four ion energies (65 keV, 6.5 keV, 0.2 keV and two of

  12. Tunneling anisotropic magnetoresistance in C60-based organic spintronic systems

    NARCIS (Netherlands)

    Wang, Kai; Sanderink, Johannes G.M.; Bolhuis, Thijs; van der Wiel, Wilfred Gerard; de Jong, Machiel Pieter

    2014-01-01

    C 60 fullerenes are interesting molecular semiconductors for spintronics since they exhibit weak spin-orbit and hyperfine interactions, which is a prerequisite for long spin lifetimes. We report spin-polarized transport in spin-valve-like structures containing ultrathin (<10 nm) C 60 layers,

  13. Polyethene with pendant fullerene moieties

    NARCIS (Netherlands)

    Zhang, XC; Sieval, AB; Hummelen, JC; Hessen, B; Zhang, Xiaochun

    2005-01-01

    Polyethene with fullerene moieties pendant on short-chain branches was prepared by the catalytic copolymerisation of ethene and a fullerene-containing vinylic comonomer, yielding polyethene copolymers containing up to 25 wt% of C-60.

  14. C-60 as a Faraday cage

    OpenAIRE

    Delaney, Paul; Greer, J.C.

    2004-01-01

    Endohedral fullerenes have been proposed for a number of technological uses, for example, as a nanoscale switch, memory bit and as qubits for quantum computation. For these technology applications, it is important to know the ease with which the endohedral atom can be manipulated using an applied electric field. We find that the Buckminsterfullerene (C-60) acts effectively as a small Faraday cage, with only 25% of the field penetrating the interior of the molecule. Thus influencing the atom i...

  15. Water-soluble vitamins.

    Science.gov (United States)

    Konings, Erik J M

    2006-01-01

    Simultaneous Determination of Vitamins.--Klejdus et al. described a simultaneous determination of 10 water- and 10 fat-soluble vitamins in pharmaceutical preparations by liquid chromatography-diode-array detection (LC-DAD). A combined isocratic and linear gradient allowed separation of vitamins in 3 distinct groups: polar, low-polar, and nonpolar. The method was applied to pharmaceutical preparations, fortified powdered drinks, and food samples, for which results were in good agreement with values claimed. Heudi et al. described a separation of 9 water-soluble vitamins by LC-UV. The method was applied for the quantification of vitamins in polyvitaminated premixes used for the fortification of infant nutrition products. The repeatability of the method was evaluated at different concentration levels and coefficients of variation were based on, for example, LC. Koontz et al. showed results of total folate concentrations measured by microbiological assay in a variety of foods. Samples were submitted in a routine manner to experienced laboratories that regularly perform folate analysis fee-for-service basis in the United States. Each laboratory reported the use of a microbiological method similar to the AOAC Official Method for the determination of folic acid. Striking was, the use of 3 different pH extraction conditions by 4 laboratories. Only one laboratory reported using a tri-enzyme extraction. Results were evaluated. Results for folic acid fortified foods had considerably lower between-laboratory variation, 9-11%, versus >45% for other foods. Mean total folate ranged from 14 to 279 microg/100 g for a mixed vegetable reference material, from 5 to 70 microg/100 g for strawberries, and from 28 to 81 microg/100 g for wholemeal flour. One should realize a large variation in results, which might be caused by slight modifications in the microbiological analysis of total folate in foods or the analysis in various (unfortified) food matrixes. Furthermore, optimal

  16. Femtosecond Dynamics of Photoexcited C60 Films.

    Science.gov (United States)

    Causa', Martina; Ramirez, Ivan; Martinez Hardigree, Josue F; Riede, Moritz; Banerji, Natalie

    2018-04-19

    The well known organic semiconductor C 60 is attracting renewed attention due to its centimeter-long electron diffusion length and high performance of solar cells containing 95% fullerene, yet its photophysical properties remain poorly understood. We elucidate the dynamics of Frenkel and intermolecular (inter-C 60 ) charge-transfer (CT) excitons in neat and diluted C 60 films from high-quality femtosecond transient absorption (TA) measurements performed at low fluences and free from oxygen or pump-induced photodimerization. We find from preferential excitation of either species that the CT excitons give rise to a strong electro-absorption (EA) signal but are extremely short-lived. The Frenkel exciton relaxation and triplet yield strongly depend on the C 60 aggregation. Finally, TA measurements on full devices with applied electric field allow us to optically monitor the dissociation of CT excitons into free charges for the first time and to demonstrate the influence of cluster size on the spectral signature of the C 60 anion.

  17. Extraction and HPLC- UV Analysis of C60, C70, and [6,6]-phenyl C61-butyric acid methyl ester in Synthetic and Natural Waters

    Science.gov (United States)

    Studies have shown that C60 fullerene can form stable colloidal suspensions in water that result in C60 aqueous concentrations many orders of magnitude above C60's aqueous solubility; however, quantitative methods for the analysis of C60 and other fullerenes in environmental medi...

  18. Quantum mechanics, group theory, and C60

    International Nuclear Information System (INIS)

    Rioux, F.

    1994-01-01

    The recent discovery of a new allotropic form of carbon and its production in macroscopic amounts has generated a tremendous amount of research activity in chemistry, physics, and material science. It has also provided educators with an exciting new vehicle for breathing fresh life into some old, well-established methods and principles. Recently, for example, Boo demonstrated the power of group theory in classifying existing and hypothetical fullerenes by their symmetries. In a similar spirit this note describes a model for the electronic structure of C 60 based on the most elementary principles of quantum mechanics and group theory

  19. Structural transformation of biochar black carbon by C60 superstructure: Environmental implications

    Science.gov (United States)

    Aqueous fullerene C60 nanoparticles (nC60) are frequently considered within the environmental engineering community as the aggregate of 60-carbon molecules. This study employed transmission electron microscopy (TEM) and x-ray diffraction (XRD) to demonstrate that nC60 formed via prolonged stirring ...

  20. Impact of Ultrathin C60 on Perovskite Photovoltaic Devices.

    Science.gov (United States)

    Liu, Dianyi; Wang, Qiong; Traverse, Christopher J; Yang, Chenchen; Young, Margaret; Kuttipillai, Padmanaban S; Lunt, Sophia Y; Hamann, Thomas W; Lunt, Richard R

    2018-01-23

    Halide perovskite solar cells have seen dramatic progress in performance over the past several years. Certified efficiencies of inverted structure (p-i-n) devices have now exceeded 20%. In these p-i-n devices, fullerene compounds are the most popular electron-transfer materials. However, the full function of fullerenes in perovskite solar cells is still under investigation, and the mechanism of photocurrent hysteresis suppression by fullerene remains unclear. In previous reports, thick fullerene layers (>20 nm) were necessary to fully cover the perovskite film surface to make good contact with perovskite film and avoid large leakage currents. In addition, the solution-processed fullerene layer has been broadly thought to infiltrate into the perovskite film to passivate traps on grain boundary surfaces, causing suppressed photocurrent hysteresis. In this work, we demonstrate an efficient perovskite photovoltaic device with only 1 nm C 60 deposited by vapor deposition as the electron-selective material. Utilizing a combination of fluorescence microscopy and impedance spectroscopy, we show that the ultrathin C 60 predominately acts to extract electrons from the perovskite film while concomitantly suppressing the photocurrent hysteresis by reducing space charge accumulation at the interface. This work ultimately helps to clarify the dominant role of fullerenes in perovskite solar cells while simplifying perovskite solar cell design to reduce manufacturing costs.

  1. Molecular dynamics simulation of carbon nanostructures: The C60 buckminsterfullerene

    International Nuclear Information System (INIS)

    Laszlo, Istvan; Zsoldos, Ibolya

    2012-01-01

    Molecular dynamics calculations can reveal the physical and chemical properties of various carbon nanostructures or can help to devise the possible formation pathways. In our days the most well-known carbon nanostructures are the fullerenes, the nanotubes, and the graphene. The fullerenes and nanotubes can be thought of as being formed from graphene sheets, i.e., single layers of carbon atoms arranged in a honeycomb lattice. Usually the nature does not follow the mathematical constructions. Although the first time the C 60 and the C 70 were produced by laser irradiated graphite, the fullerene formation theories are based on various fragments of carbon chains and networks of pentagonal and hexagonal rings. In the present article various formation pathways for the buckminsterfullerene C 60 molecule will be presented. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Nanocomposite Materials of Alternately Stacked C60 Monolayer and Graphene

    Directory of Open Access Journals (Sweden)

    Makoto Ishikawa

    2010-01-01

    Full Text Available We synthesized the novel nanocomposite consisting alternately of a stacked single graphene sheet and a C60 monolayer by using the graphite intercalation technique in which alkylamine molecules help intercalate large C60 molecules into the graphite. Moreover, it is found that the intercalated C60 molecules can rotate in between single graphene sheets by using C13 NMR measurements. This preparation method provides a general way for intercalating huge fullerene molecules into graphite, which will lead to promising materials with novel mechanical, physical, and electrical properties.

  3. Nanocomposite Materials of Alternately Stacked C60 Monolayer and Graphene

    International Nuclear Information System (INIS)

    Ishikawa, M.; Miura, K.; Kamiya, S.; Yoshimoto, S.; Suzuki, M.; Kuwahara, D.; Sasaki, N.

    2010-01-01

    We synthesized the novel nanocomposite consisting alternately of a stacked single graphene sheet and a C 60 monolayer by using the graphite intercalation technique in which alkylamine molecules help intercalate large C 60 molecules into the graphite. Moreover, it is found that the intercalated C 60 molecules can rotate in between single graphene sheets by using C 13 NMR measurements. This preparation method provides a general way for intercalating huge fullerene molecules into graphite, which will lead to promising materials with novel mechanical, physical, and electrical properties.

  4. Disintegration of C60 by Xe ion irradiation

    International Nuclear Information System (INIS)

    Kalish, R.; Samoiloff, A.; Hoffman, A.; Uzan-Saguy, C.

    1993-01-01

    The Changes in resistivity of fullerene (C 60 ) films subject to 320 keV Xe ion irradiation are investigated as a function of ion dose. From a comparison of this dependence with similar data on other Xe irradiated C containing insulating materials and with data on C implanted fused quartz, it is concluded that upon ion impact C 60 clusters completely disintegrate. This disintegration releases about 60 C atoms which disperse amongst the remaining intact C 60 spheres giving rise to hopping conductivity between isolated C atoms. 16 refs., 3 figs

  5. Rigid rod spaced fullerene as building block for nanoclusters

    Indian Academy of Sciences (India)

    By using phenylacetylene based rigid-rod linkers (PhA), we have successfully synthesized two fullerene derivatives, C60-PhA and C60-PhA-C60. The absorption spectral features of C60, as well as that of the phenylacetylene moiety are retained in the monomeric forms of these fullerene derivatives, ruling out the possibility ...

  6. Changes in Agglomeration of Fullerenes During Ingestion and Excretion in Thamnocephalus Platuyrus

    Science.gov (United States)

    The crustacean Thamnocephalus platyurus was exposed to aqueous suspensions of fullerenes C60 and C70. Aqueous fullerene suspensions were formed by stirring C60 and C70 as received from a commercial vendor in deionized water (term...

  7. Electronic structure and optical properties of solid C60

    International Nuclear Information System (INIS)

    Mattesini, M.; Ahuja, R.; Sa, L.; Hugosson, H.W.; Johansson, B.; Eriksson, O.

    2009-01-01

    The electronic structure and the optical properties of face-centered-cubic C 60 have been investigated by using an all-electron full-potential method. Our ab initio results show that the imaginary dielectric function for high-energy values looks very similar to that of graphite, revealing close electronic structure similarities between the two systems. We have also identified the origin of different peaks in the dielectric function of fullerene by means of the calculated electronic density of states. The computed optical spectrum compares fairly well with the available experimental data for the Vis-UV absorption spectrum of solid C 60 .

  8. Processing of C60 thin films by Matrix-Assisted Pulsed Laser Evaporation (MAPLE)

    DEFF Research Database (Denmark)

    Canulescu, Stela; Schou, Jørgen; Fæster, Søren

    2011-01-01

    Thin films of fullerenes (C60) were deposited onto silicon using matrix-assisted pulsed laser evaporation (MAPLE). The deposition was carried out from a frozen homogeneous dilute solution of C60 in anisole (0.67 wt%), and over a broad range of laser fluences, from 0.15 J/cm2 up to 3.9 J/cm2. MAPLE...

  9. Local Segmental Dynamics and Stresses in Polystyrene - C$_{60}$ Mixtures

    OpenAIRE

    Vogiatzis, Georgios G.; Theodorou, Doros N.

    2014-01-01

    The polymer dynamics of homogeneous C$_{60}$-polystyrene mixtures in the molten state are studied via molecular simulations using two interconnected levels of representation for polystyrene nanocomposites: (a) A coarse-grained representation, in which each polystyrene repeat unit is mapped into a single "superatom" and each fullerene is viewed as a spherical shell. Equilibration of coarse-grained polymer-nanoparticle systems at all length scales is achieved via connectivity-altering Monte Car...

  10. Photoinduced energy and electron transfer in fullerene- oligothiophene-fullerene triads

    NARCIS (Netherlands)

    Hal, Paul A. van; Knol, Joop; Langeveld-Voss, Bea M.W.; Meskers, Stefan C.J.; Hummelen, J.C.; Janssen, René A.J.

    2000-01-01

    A series of fullerene-oligothiophene-fullerene (C60-nT-C60) triads with n = 3, 6, or 9 thiophene units has been synthesized, and their photophysical properties have been studied using photoinduced absorption and fluorescence spectroscopy in solution and in the solid state as thin films. The results

  11. Photophysics of C60 Colloids

    Science.gov (United States)

    2012-11-28

    nonlinear-optical properties and excited-state dynamics of pristine, oxygen- doped , and photopolymerized C-60 in the solid-state," Physical Review B...C45 (2009). 139. E. A. Brujan, "Numerical investigation on the dynamics of cavitation nanobubbles," Microfluidics and Nanofluidics 11(5), 511-517

  12. Formation of clusters composed of C60 molecules via self-assembly in critical fluids

    International Nuclear Information System (INIS)

    Fukuda, Takahiro; Ishii, Koji; Kurosu, Shunji; Whitby, Raymond; Maekawa, Toru

    2007-01-01

    Fullerenes are promising candidates for intelligent, functional nanomaterials because of their unique mechanical, electronic and chemical properties. However, it is necessary to invent some efficient but relatively simple methods of producing structures composed of fullerenes for the development of nanomechatronic, nanoelectronic and biochemical devices and sensors. In this paper, we show that various structures such as straight fibres, networks formed by fibres, wide sheets and helical structures, which are composed of C 60 molecules, are created by placing C 60 -crystals in critical ethane, carbon dioxide and xenon even though C 60 molecules do not dissolve or disperse in the above fluids. It is supposed, judging by the intermolecular potentials between C 60 and C 60 , between C 60 and ethane, and between ethane and ethane, that C 60 -clusters grow with the assistance of solvent molecules, which are trapped between C 60 molecules under critical conditions. This room-temperature self-assembly cluster growth process in critical fluids may open up a new methodology of forming structures built up with fullerenes without the need for any ultra-fine processing technologies

  13. The birth of C60: buckminsterfullerene

    International Nuclear Information System (INIS)

    Kroto, H.

    1993-01-01

    Almost exactly five years after C 60 : Buckminsterfullerene (fullerene-60) was discovered serendipitously during a series of graphite laser vaporization experiments which were designed to simulate the chemistry in a red giant carbon star, the molecule has been isolated in macroscopic amounts. This breakthrough has triggered an explosion of research into its chemical and physical properties. The molecule has already exhibited a wide range of novel phenomena which promise exciting applications. Whether or not applications arise Buckminsterfullerene has a beauty and elegance that has excited the imaginations of scientists and laymen alike. It seems almost impossible to comprehend how the existence of the third well-characterised allotropic form of carbon could have evaded discovery until almost the end of the twentieth century. New fields of chemistry, physics and materials scince have been born and the articles contained in this volume cover some of the fascinating properties that have been uncovered and which pressage exciting implications for the future. This article surveys some of the key events which led to the birth of these new field and serves as an introduction to this volume. (orig.)

  14. Toxicity and bioaccumulation of xenobiotic organic compounds in the presence of aqueous suspensions of aggregates of nano-C60

    DEFF Research Database (Denmark)

    Baun, Anders; Sørensen, Sara Nørgaard; Rasmussen, R.F.

    2008-01-01

    The potential of C60-nanoparticles (Buckminster fullerenes) as contaminant carriers in aqueous systems was studied in a series of toxicity tests with algae (Pseudokirchneriella subcapitata) and crustaceans (Daphnia magna). Four common environmental contaminants (atrazine, methyl parathion, pentac...

  15. Beam pulsing of C60 electrostatic injector accelerator for linac

    International Nuclear Information System (INIS)

    Takahashi, Y.; Hattori, T.; Kashiwagi, H.; Hata, T.; Noda, K.

    2000-01-01

    The research which measured the energy loss by the interaction between C 60 fullerene beam and solid film using the TOF method was started. The beam pulsing equipment was manufactured in this reason. The method by the copping was adopted for the pulsing, and 10 kHz high frequency was applied between electrodes, and the 20 V maximum voltage between electrodes was obtained. The 600 keV acceleration will be carried out by the 200 kV accelerating column, after pulsing is sent to C 60 fullerene beam drawn from electron impact type ion source at 300 V in pulse intervals 50 μs and 4.6 μs pulse width. The APF-IH type linear accelerator that it settles the fullerene more and more using the APF focusing and accelerates at the high acceleration is designed and is manufactured, and this is made to be a linear accelerator of back step, the high energy acceleration will be carried out. (author)

  16. Water Soluble Polymers for Pharmaceutical Applications

    Directory of Open Access Journals (Sweden)

    Veeran Gowda Kadajji

    2011-11-01

    Full Text Available Advances in polymer science have led to the development of novel drug delivery systems. Some polymers are obtained from natural resources and then chemically modified for various applications, while others are chemically synthesized and used. A large number of natural and synthetic polymers are available. In the present paper, only water soluble polymers are described. They have been explained in two categories (1 synthetic and (2 natural. Drug polymer conjugates, block copolymers, hydrogels and other water soluble drug polymer complexes have also been explained. The general properties and applications of different water soluble polymers in the formulation of different dosage forms, novel delivery systems and biomedical applications will be discussed.

  17. Electronic structure and static dipole polarizability of C60-C240

    International Nuclear Information System (INIS)

    Zope, Rajendra R

    2008-01-01

    The electronic structure of C 60 -C 240 and its first-order response to a static electric field is studied by an all-electron density functional theory calculation using large polarized Gaussian basis sets. Our results show that the outer C 240 shell almost completely shields the inner C 60 as inferred from the practically identical values of dipole polarizability of the C 60 -C 240 onion (449 A 3 ) and that of the isolated C 240 fullerene (441 A 3 ). The C 60 -C 240 is thus a near-perfect Faraday cage

  18. Packing C60 in Boron Nitride Nanotubes

    Science.gov (United States)

    Mickelson, W.; Aloni, S.; Han, Wei-Qiang; Cumings, John; Zettl, A.

    2003-04-01

    We have created insulated C60 nanowire by packing C60 molecules into the interior of insulating boron nitride nanotubes (BNNTs). For small-diameter BNNTs, the wire consists of a linear chain of C60 molecules. With increasing BNNT inner diameter, unusual C60 stacking configurations are obtained (including helical, hollow core, and incommensurate) that are unknown for bulk or thin-film forms of C60. C60 in BNNTs thus presents a model system for studying the properties of dimensionally constrained ``silo'' crystal structures. For the linear-chain case, we have fused the C60 molecules to form a single-walled carbon nanotube inside the insulating BNNT.

  19. Physical properties of organic fullerene cocrystals

    Science.gov (United States)

    Macovez, Roberto

    2017-12-01

    The basic facts and fundamental properties of binary fullerene cocrystals are reviewed, focusing especially on solvates and salts of Buckminsterfullerene (C60), and hydrates of hydrophilic C60 derivatives. The examined properties include the lattice structure and the presence of orientational disorder and/or rotational dynamics (of both fullerenes and cocrystallizing moieties), thermodynamic properties such as decomposition enthalpies, and charge transport properties. Both thermodynamic properties and molecular orientational disorder shed light on the extent of intermolecular interactions in these binary solid-state systems. Comparison is carried out also with pristine fullerite and with the solid phases of functionalized C60. Interesting experimental findings on binary fullerene cocrystals include the simultaneous occurrence of rotations of both constituent molecular species, crystal morphologies reminiscent of quasi-crystalline behaviour, the observation of proton conduction in hydrate solids of hydrophilic fullerene derivatives, and the production of super-hard carbon materials by application of high pressures on solvated fullerene crystals.

  20. Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

    International Nuclear Information System (INIS)

    Zope, Rajendra R.; Baruah, Tunna; Bhusal, Shusil; Basurto, Luis; Jackson, Koblar

    2015-01-01

    We investigate the polarizability of trimetallic nitride endohedral fullerenes by partitioning the total polarizability into site specific components. This analysis indicates that the polarizability of the endohedral fullerene is essentially due to the outer fullerene cage and has insignificant contribution from the encapsulated unit. Thus, the outer fullerene cages effectively shield the encapsulated clusters and behave like Faraday cages. The polarizability of endohedral fullerenes is slightly smaller than the polarizability of the corresponding bare carbon fullerenes. The application of the site specific polarizabilities to C 60 @C 240 and C 60 @C 180 onions shows that, compared to the polarizability of isolated C 60 fullerene, the encapsulation of the C 60 in C 240 and C 180 fullerenes reduces its polarizability by 75% and 83%, respectively. The differences in the polarizability of C 60 in the two onions is a result of differences in the bonding (intershell electron transfer), fullerene shell relaxations, and intershell separations. The site specific analysis further shows that the outer atoms in a fullerene shell contribute most to the fullerene polarizability

  1. Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

    Science.gov (United States)

    Zope, Rajendra R.; Bhusal, Shusil; Basurto, Luis; Baruah, Tunna; Jackson, Koblar

    2015-08-01

    We investigate the polarizability of trimetallic nitride endohedral fullerenes by partitioning the total polarizability into site specific components. This analysis indicates that the polarizability of the endohedral fullerene is essentially due to the outer fullerene cage and has insignificant contribution from the encapsulated unit. Thus, the outer fullerene cages effectively shield the encapsulated clusters and behave like Faraday cages. The polarizability of endohedral fullerenes is slightly smaller than the polarizability of the corresponding bare carbon fullerenes. The application of the site specific polarizabilities to C60@C240 and C60@C180 onions shows that, compared to the polarizability of isolated C60 fullerene, the encapsulation of the C60 in C240 and C180 fullerenes reduces its polarizability by 75% and 83%, respectively. The differences in the polarizability of C60 in the two onions is a result of differences in the bonding (intershell electron transfer), fullerene shell relaxations, and intershell separations. The site specific analysis further shows that the outer atoms in a fullerene shell contribute most to the fullerene polarizability.

  2. Transmutation of fullerenes.

    Science.gov (United States)

    Cross, R James; Saunders, Martin

    2005-03-09

    Fullerenes were pyrolyzed by subliming them into a stream of flowing argon gas and then passing them through an oven heated to approximately 1000 degrees C. C(76), C(78), and C(84) all readily lost carbons to form smaller fullerenes. In the case of C(78), some isomerization was seen. Pyrolysis of (3)He@C(76) showed that all or most of the (3)He was lost during the decomposition. C(60) passes through the apparatus with no decomposition and no loss of helium.

  3. Structural stability of C60 films under irradiation with swift heavy ions

    International Nuclear Information System (INIS)

    Jin Yunfan; Yao Cunfeng; Wang Zhiguang; Xie Erqing; Song Yin; Sun Youmei; Zhang Chonghong; Liu Jie; Duan Jinglai

    2005-01-01

    In order to investigate the structural stability of fullerene (C 60 ) under swift heavy ion irradiation, the irradiation experiments of thin C 60 films were performed with 22 MeV/amu Fe 56 ions delivered by HIRFL at Lanzhou in China. The irradiated C 60 films were analyzed by means of Raman scattering and Fourier transform infrared (FTIR) spectroscopes. The analysis results indicated that the damage cross-sections σ of the C 60 molecule deduced from the data of the Raman spectra are between 1.1 and 4.5 x 10 -14 cm 2 for the electronic energy loss from 3.5 to 8.7 keV/nm and electronic energy transfer dominates the damage process of C 60 films. The partial recovery of the damage in irradiated C 60 films at certain electronic energy loss is attributed to an annealing effect of strong electronic excitation

  4. Electronic properties of fullerenes

    International Nuclear Information System (INIS)

    Kuzmany, H.

    1993-01-01

    Since 1991, research in the field of organic carbon materials has developed at a rapid pace due to the advent of the fullerenes and related materials. These forms of carbon are considered as a missing link between the previously discussed electroactive polymers and the oxidic superconductors. It was therefore challenging to select this topic for an international winter school in Kirchberg. Although still in its infancy, research on the physics and chemistry of fullerenes and related compounds has already led to a wealth of results, which was reflected in the wide range of topics covered and the numerous discussions which emerged at the meeting. For C 60 itself, preparation methods and crystal growth techniques continue to evolve, while the understanding of the electronic and structural properties of its solid state continues to pose challenges to experimental and theoretical physicists. The ever-expanding range of higher fullerens and related materials, such as nanotubes and onions, poses a daunting but exciting task for researchers. For synthetic chemists, fullerenes represent the basis of a whole new range of synthetic compounds. The prospect of a periodic table of endohedral fullerene complexes has been discussed, and exohedrally complexed metal-fullerenes have already attracted the attention of physicists. The first endohedral materials are now available. (orig.)

  5. Novel Crystal Structure C60 Nanowire

    Science.gov (United States)

    Mickelson, William; Aloni, Shaul; Han, Weiqiang; Cumings, John; Zettl, Alex

    2003-03-01

    We have created insulated C60 nanowire by packing C60 molecules into the interior of insulating boron nitride (BN) nanotubes. For small-diameter BN tubes, the wire consists of a linear chain of C60's. With increasing BN tube inner diameter, novel C60 stacking configurations are obtained (including helical, hollow core, and incommensurate) which are unknown for bulk or thin film forms of C60. C60 in BN nanotubes presents a model system for studying the properties of new dimensionally-constrained "silo" crystal structures.

  6. Changes in Agglomeration of Fullerenes During Ingestion and Excretion in Thamnocephalus Platyurus

    Science.gov (United States)

    The crustacean Thamnocephalus platyurus was exposed to aqueous suspensions of fullerenes C60 and C70. Aqueous fullerene suspensions were formed by stirring C60 and C70 as received from a commercial vendor in deionized water (termed aqu/C60 and aqu/C70) for approximately 100 d. Th...

  7. Collisions of Oq+ with neutral C-60 : Charge transfer and fragmentation

    NARCIS (Netherlands)

    Schlatholter, T; Hoekstra, R; Morgenstern, R

    1998-01-01

    Fragmentation of C-60 fullerenes by collisions with multiply charged Oq+ ions (1 less than or equal to q less than or equal to 7) has been studied experimentally for Oq+ collision energies of 1.16 keV amu(-1) For high projectile charges the potential energy of the projectiles is mainly responsible

  8. UV/Vis spectroscopy of C60 embedded in water ice

    DEFF Research Database (Denmark)

    Cuylle, Steven; Linnartz, Harold; Thrower, John

    2012-01-01

    Electronic solid state spectra are recorded for C60 embedded in 40 K water ice using broad band direct absorption spectroscopy, and assigned with reference to existing matrix data. The results are interesting in view of the recent gas phase detection of fullerenes in the interstellar medium...

  9. C59N+ and C69N+: isoelectronic heteroanalogues of C60 and C70

    International Nuclear Information System (INIS)

    Lamparth, I.; Nuber, B.; Schick, G.; Skiebe, A.; Groesser, T.; Hirsch, A.

    1995-01-01

    Fragmentation reactions in the mass spectrometer were used to generate the first characterized nitrogen heterofullerene ions C 59 N + and C 69 N + from regioselectively synthesized oligoiminofullerenes. During this process one carbon atom in the fullerene core is removed and replaced with a nitrogen atom. C 59 N + has almost the same structure as the isoelectronic C 60 . (orig.)

  10. C60 Recognition from Extended Tetrathiafulvalene Bis-acetylide Platinum(II) Complexes.

    Science.gov (United States)

    Bastien, Guillaume; Dron, Paul I; Vincent, Manon; Canevet, David; Allain, Magali; Goeb, Sébastien; Sallé, Marc

    2016-11-18

    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 C 60 .

  11. Excimer-laser-induced permanent electrical conductivity in solid C60 films

    International Nuclear Information System (INIS)

    Ning, D.; Lou, Q.H.; Dong, J.X.; Wei, Y.R.

    1996-01-01

    After being irradiated in air by a XeCl (308 nm) excimer laser, the electrical conductivity of solid thin-film C 60 has been improved by more than six orders of magnitudes. The products resulting from laser irradiation of C 60 films have been investigated by Raman scattering and the onset of conductivity can be attributed to laser-induced oxygenation and disintegration of the fullerene. Irradiated by ∼40 ns laser pulses with different fluence, products with different microstructure were observed. At lower fluence, the Raman features of microcrystalline graphite and fullerene polymer were observed. At a fluence just below the ablation threshold (36 mJ/cm 2 ), the fullerene molecules in the film were disintegrated completely and transformed to amorphous graphite. (orig.). With 5 figs

  12. C 60 as a chemical Faraday cage for three ferromagnetic Fe atoms

    Science.gov (United States)

    Gao, Guohua; Kang, Hong Seok

    2008-09-01

    Based on calculations using density functional theory, we show that C 60 can act as a chemical Faraday cage in which a highly magnetic metal cluster with a high chemical reactivity can be encapsulated. As an example, we find that C 60 can encapsulate a Fe 3 cluster, while it is much less likely to encapsulate a Fe 2 cluster. Spin multiplicity (=9) of the Fe 3@C 60 is very high, being comparable to that (=11) of a free Fe 3 cluster. Geometrically, the triangular plane of the cluster is perpendicular to a S6 axis of the fullerene.

  13. Radiculography with water-soluble contraste medium

    International Nuclear Information System (INIS)

    Araujo Pinheiro, R.S. de

    1987-01-01

    The etiologic diagnosis of the lumbar pain is discussed. The radiculography with water-soluble contrast medium is used and 250 cases are studied. Some practical criteria of indication executation and interpretation of the examination are reported. (M.A.C.) [pt

  14. Aggregate development in C 60/N-methyl-2-pyrrolidone solution and its mixture with water as revealed by extraction and mass spectroscopy

    Science.gov (United States)

    Kyzyma, O. A.; Korobov, M. V.; Avdeev, M. V.; Garamus, V. M.; Snegir, S. V.; Petrenko, V. I.; Aksenov, V. L.; Bulavin, L. A.

    2010-06-01

    The aggregate development in C 60/N-methyl-2-pyrrolidone (C 60/NMP) solution with time is studied by the extraction (hexane) and mass spectroscopy. It is shown that only molecular C 60 in NMP is extracted in hexane, which makes it possible to follow a change in the concentration of non-aggregated fullerene in C 60/NMP during the aggregate growth. It is concluded that almost all fullerene dissolved in NMP is in the aggregates after one month. The reorganization of the aggregates is detected when water is added to the aggregated solution C 60/NMP. Both methods prove that in this case individual fullerene molecules are detached from the aggregates, which contradicts somewhat to complete insolubility of C 60 in water.

  15. Probing Exciton Diffusion and Dissociation in Single-Walled Carbon Nanotube-C60 Heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Dowgiallo, Anne-Marie; Mistry, Kevin S.; Johnson, Justin C.; Reid, Obadiah G.; Blackburn, Jeffrey L.

    2016-05-19

    The efficiency of thin-film organic photovoltaic (OPV) devices relies heavily upon the transport of excitons to type-II heterojunction interfaces, where there is sufficient driving force for exciton dissociation and ultimately the formation of charge carriers. Semiconducting single-walled carbon nanotubes (SWCNTs) are strong near-infrared absorbers that form type-II heterojunctions with fullerenes such as C60. Although the efficiencies of SWCNT-fullerene OPV devices have climbed over the past few years, questions remain regarding the fundamental factors that currently limit their performance. In this study, we determine the exciton diffusion length in the C60 layer of SWCNT-C60 bilayer active layers using femtosecond transient absorption measurements. We demonstrate that hole transfer from photoexcited C60 molecules to SWCNTs can be tracked by the growth of narrow spectroscopic signatures of holes in the SWCNT 'reporter layer'. In bilayers with thick C60 layers, the SWCNT charge-related signatures display a slow rise over hundreds of picoseconds, reflecting exciton diffusion through the C60 layer to the interface. A model based on exciton diffusion with a Beer-Lambert excitation profile, as well as Monte Carlo simulations, gives the best fit to the data as a function of C60 layer thickness using an exciton diffusion length of approximately 5 nm.

  16. Recent progresses in application of fullerenes in cosmetics.

    Science.gov (United States)

    Lens, Marko

    2011-08-01

    Cosmetic industry is a fast growing industry with the continuous development of new active ingredients for skin care products. Fullerene C(60) and its derivates have been subject of intensive research in the last few years. Fullerenes display a wide range of different biological activities. Strong antioxidant capacities and effective quenching radical oxygen species (ROS) made fullerenes suitable active compounds in the formulation of skin care products. Published evidence on biological activities of fullerenes relevant for their application in cosmetics use and examples of published patents are presented. Recent trends in the use of fullerenes in topical formulations and patents are reviewed. Future investigations covering application of fullerenes in skin care are discussed.

  17. Largely enhanced thermal and mechanical properties of polymer nanocomposites via incorporating C60@graphene nanocarbon hybrid

    International Nuclear Information System (INIS)

    Song, Ping’an; Liu, Lina; Yu, Youming; Huang, Guobo; Guo, Qipeng

    2013-01-01

    Although considerable progress has been achieved to create advanced polymer nanocomposites using nanocarbons including fullerene (C 60 ) and graphene, it remains a major challenge to effectively disperse them in a polymer matrix and to fully exert their extraordinary properties. Here we report a novel approach to fabricate the C 60 @graphene nanocarbon hybrid (C 60 : ∼47.9 wt%, graphene: ∼35.1%) via three-step reactions. The presence of C 60 on a graphene sheet surface can effectively prevent the aggregation of the latter which in turn helps the dispersion of the former in a polymer matrix during melt-processing. C 60 @graphene is found to be uniformly dispersed in a polypropylene (PP) matrix. Compared with pristine C 60 or graphene, C 60 @graphene further improves the thermal stability and mechanical properties of PP. The incorporation of 2.0 wt% C 60 @graphene (relative to PP) can remarkably increase the initial degradation temperature by around 59 ° C and simultaneously enhance the tensile strength and Young’s modulus by 67% and 76%, respectively, all of which are higher than those of corresponding PP/C 60 (graphene) nanocomposites. These significant performance improvements are mainly due to the free-radical-trapping effect of C 60 , and the thermal barrier and reinforcing effects of graphene nanosheets as well as the effective stress load transfer. This work provides a new methodology to design multifunctional nanohybrids for creating advanced materials. (paper)

  18. Adsorption of amino acids by fullerenes and fullerene nanowhiskers

    International Nuclear Information System (INIS)

    Hashizume, Hideo; Hirata, Chika; Fujii, Kazuko; Miyazawa, Kun’ichi

    2015-01-01

    We have investigated the adsorption of some amino acids and an oligopeptide by fullerene (C 60 ) and fullerene nanowhiskers (FNWs). C 60 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 C 60 or FNWs. Trp, Phe and Pro, with a cyclic structure, were not adsorbed by them either. The aromatic group of C 60 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. It is likely that the C 60 and FNWs would not prefer the charged carboxyl or amino group. Tri-Ala was adsorbed slightly by the C 60 and FNWs. The carboxyl or amino group is not close to the center of the methyl group of Tri-Ala. One of the methyl groups in Tri-Ala would interact with the aromatic structure of the C 60 and FNWs. We compared our results with the theoretical interaction of 20 bio-amino acids with C 60 . The theoretical simulations showed the bonding distance between C 60 and an amino acid and the dissociation energy. The dissociation energy was shown to increase in the order, Val < Phe < Pro < Asp < Ala < Trp < Tyr < Arg < Leu. However, the simulation was not consistent with our experimental results. The adsorption of albumin (a protein) by C 60 showed the effect on the side chains of Try and Trp. The structure of albumin was changed a little by C 60 . In our study Try and Tyr were hardly adsorbed by C 60 and FNWs. These amino acids did not show a different adsorption behavior compared with other amino acids. The adsorptive behavior of mono-amino acids might be different from that of polypeptides. (paper)

  19. Biochemical synthesis of water soluble conducting polymers

    Science.gov (United States)

    Bruno, Ferdinando F.; Bernabei, Manuele

    2016-05-01

    An efficient biomimetic route for the synthesis of conducting polymers/copolymers complexed with lignin sulfonate and sodium (polystyrenesulfonate) (SPS) will be presented. This polyelectrolyte assisted PEG-hematin or horseradish peroxidase catalyzed polymerization of pyrrole (PYR), 3,4 ethyldioxithiophene (EDOT) and aniline has provided a route to synthesize water-soluble conducting polymers/copolymers under acidic conditions. The UV-vis, FTIR, conductivity and cyclic voltammetry studies for the polymers/copolymer complex indicated the presence of a thermally stable and electroactive polymers. Moreover, the use of water-soluble templates, used as well as dopants, provided a unique combination of properties such as high electronic conductivity, and processability. These polymers/copolymers are nowadays tested/evaluated for antirust features on airplanes and helicopters. However, other electronic applications, such as photovoltaics, for transparent conductive polyaniline, actuators, for polypyrrole, and antistatic films, for polyEDOT, will be proposed.

  20. Biochemical synthesis of water soluble conducting polymers

    Energy Technology Data Exchange (ETDEWEB)

    Bruno, Ferdinando F., E-mail: Ferdinando-Bruno@uml.edu [US Army Natick Soldier Research, Development and Engineering Center, Natick, MA 01760 (United States); Bernabei, Manuele [ITAF, Test Flight Centre, Chemistry Dept. Pratica di Mare AFB, 00071 Pomezia (Rome), Italy (UE) (Italy)

    2016-05-18

    An efficient biomimetic route for the synthesis of conducting polymers/copolymers complexed with lignin sulfonate and sodium (polystyrenesulfonate) (SPS) will be presented. This polyelectrolyte assisted PEG-hematin or horseradish peroxidase catalyzed polymerization of pyrrole (PYR), 3,4 ethyldioxithiophene (EDOT) and aniline has provided a route to synthesize water-soluble conducting polymers/copolymers under acidic conditions. The UV-vis, FTIR, conductivity and cyclic voltammetry studies for the polymers/copolymer complex indicated the presence of a thermally stable and electroactive polymers. Moreover, the use of water-soluble templates, used as well as dopants, provided a unique combination of properties such as high electronic conductivity, and processability. These polymers/copolymers are nowadays tested/evaluated for antirust features on airplanes and helicopters. However, other electronic applications, such as photovoltaics, for transparent conductive polyaniline, actuators, for polypyrrole, and antistatic films, for polyEDOT, will be proposed.

  1. Biochemical synthesis of water soluble conducting polymers

    International Nuclear Information System (INIS)

    Bruno, Ferdinando F.; Bernabei, Manuele

    2016-01-01

    An efficient biomimetic route for the synthesis of conducting polymers/copolymers complexed with lignin sulfonate and sodium (polystyrenesulfonate) (SPS) will be presented. This polyelectrolyte assisted PEG-hematin or horseradish peroxidase catalyzed polymerization of pyrrole (PYR), 3,4 ethyldioxithiophene (EDOT) and aniline has provided a route to synthesize water-soluble conducting polymers/copolymers under acidic conditions. The UV-vis, FTIR, conductivity and cyclic voltammetry studies for the polymers/copolymer complex indicated the presence of a thermally stable and electroactive polymers. Moreover, the use of water-soluble templates, used as well as dopants, provided a unique combination of properties such as high electronic conductivity, and processability. These polymers/copolymers are nowadays tested/evaluated for antirust features on airplanes and helicopters. However, other electronic applications, such as photovoltaics, for transparent conductive polyaniline, actuators, for polypyrrole, and antistatic films, for polyEDOT, will be proposed.

  2. Water Soluble Polymers for Pharmaceutical Applications

    OpenAIRE

    Veeran Gowda Kadajji; Guru V. Betageri

    2011-01-01

    Advances in polymer science have led to the development of novel drug delivery systems. Some polymers are obtained from natural resources and then chemically modified for various applications, while others are chemically synthesized and used. A large number of natural and synthetic polymers are available. In the present paper, only water soluble polymers are described. They have been explained in two categories (1) synthetic and (2) natural. Drug polymer conjugates, block copolymers, hydrogel...

  3. Nanoencapsulation of Fullerenes in Organic Structures with Nonpolar Cavities

    International Nuclear Information System (INIS)

    Murthy, C. N.

    2005-01-01

    The formation of supramolecular structures, assemblies, and arrays held together by weak intermolecular interactions and non-covalent binding mimicking natural processes has been used in applications being anticipated in nanotechnology, biotechnology and the emerging field of nanomedicine. Encapsulation of C 60 fullerene by cyclic molecules like cyclodextrins and calixarenes has potential for a number of applications. Similarly, biomolecules like lysozyme also have been shown to encapsulate C 60 fullerene. This poster article reports the recent trends and the results obtained in the nanoencapsulation of fullerenes by biomolecules containing nonpolar cavities. Lysozyme was chosen as the model biomolecule and it was observed that there is no covalent bond formed between the bimolecule and the C 60 fullerene. This was confirmed from fluorescence energy transfer studies. UV-Vis studies further supported this observation that it is possible to selectively remove the C 60 fullerene from the nonpolar cavity. This behavior has potential in biomedical applications

  4. Hydrogenated fullerenes in space: FT-IR spectra analysis

    International Nuclear Information System (INIS)

    El-Barbary, A. A.

    2016-01-01

    Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C 20 and C 60 fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H 2 molecule at peak around 4440 cm −1 . However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

  5. Adsorption of amino acids by fullerenes and fullerene nanowhiskers

    Science.gov (United States)

    Hashizume, Hideo; Hirata, Chika; Fujii, Kazuko; Miyazawa, Kun'ichi

    2015-12-01

    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. It is likely that the C60 and FNWs would not prefer the charged carboxyl or amino group. Tri-Ala was adsorbed slightly by the C60 and FNWs. The carboxyl or amino group is not close to the center of the methyl group of Tri-Ala. One of the methyl groups in Tri-Ala would interact with the aromatic structure of the C60 and FNWs. We compared our results with the theoretical interaction of 20 bio-amino acids with C60. The theoretical simulations showed the bonding distance between C60 and an amino acid and the dissociation energy. The dissociation energy was shown to increase in the order, Val changed a little by C60. In our study Try and Tyr were hardly adsorbed by C60 and FNWs. These amino acids did not show a different adsorption behavior compared with other amino acids. The adsorptive behavior of mono-amino acids might be different from that of polypeptides.

  6. Transmission properties of C60 ions through micro- and nano-capillaries

    International Nuclear Information System (INIS)

    Tsuchida, Hidetsugu; Majima, Takuya; Tomita, Shigeo; Sasa, Kimikazu; Narumi, Kazumasa; Saitoh, Yuichi; Chiba, Atsuya; Yamada, Keisuke; Hirata, Koichi; Shibata, Hiromi; Itoh, Akio

    2013-01-01

    We apply the capillary beam-focusing method for the C 60 fullerene projectiles in the velocity range between 0.14 and 0.2 a.u. We study the C 60 transmission properties through two different types of capillaries: (1) borosilicate glass microcapillary with an outlet diameter of 5.5 μm, and (2) Al 2 O 3 multi-capillary foil with a pore size of about 70 nm and a high aspect ratio of about 750. We measured the transmitted particle composition by using the electrostatic deflection method combined with the microchannel plate imaging technique. For the experiments with the single microcapillary, the main transmission component is found to be primary C 60 beams that are focused in the area equal to the capillary outlet diameter. Minor components are charge-exchanged C 60 ions and charged or neutral fragments (fullerene-like C 60-2m and small C n particles), and their fractions decrease with decreasing the projectile velocity. It is concluded that the C 60 transmission fraction is considerably high for both types of the capillaries in the present velocity range

  7. Electron energy-loss spectroscopy on fullerenes and fullerene compounds

    International Nuclear Information System (INIS)

    Armbruster, J.

    1996-03-01

    A few years ago, a new form of pure carbon, the fullerenes, has been discovered, which shows many fascinating properties. Within this work the spatial and electronic structure of some selected fullerene compounds have been investigated by electron-energy-loss spectroscopy in transmission. Phase pure samples of alkali intercalated fullerides A x C 60 (A=Na, K, Cs) have been prepared using vacuum distillation. Measruements of K 3 C 60 show a dispersion of the charge carrier plasmon close to zero. This can be explained by calculations, which take into account both band structure and local-field (inhomogeneity) effects. The importance of the molecular structure can also be seen from the A 4 C 60 compounds, where the non-metallic properties are explained by a splitting of the t 1u and t 1g derived bands that is caused by electron-correlation and Jahn-Teller effects. First measurements of the electronic structure of Na x C 60 (x>6) are presented and reveal a complete transfer from the sodium atoms but an incomplete transfer onto the C 60 molecules. This behaviour can be explained by taking into account additional electronic states that are situated between the sodium atoms in the octahedral sites and are predicted by calculations using local density approximation. The crystal structure of the higher fullerenes C 76 and C 84 is found to be face-centered cubic

  8. Electronic structure of single crystal C60

    International Nuclear Information System (INIS)

    Wu, J.; Shen, Z.X.; Dessau, D.S.; Cao, R.; Marshall, D.S.; Pianetta, P.; Lindau, I.; Yang, X.; Terry, J.; King, D.M.; Wells, B.O.; Elloway, D.; Wendt, H.R.; Brown, C.A.; Hunziker, H.; Vries, M.S. de

    1992-01-01

    We report angle-resolved photoemission data from single crystals of C 60 cleaved in UHV. Unlike the other forms of pure carbon, the valence band spectrum of C 60 consists of many sharp features that can be essentially accounted for by the quantum chemical calculations describing individual molecules. This suggests that the electronic structure of solid C 60 is mainly determined by the bonding interactions within the individual molecules. We also observe remarkable intensity modulations of the photoemission features as a function of photon energy, suggesting strong final state effects. Finally, we address the issue of the band width of the HOMO state of C 60 . We assert that the width of the photoemission peak of C 60 does not reflect the intrinsic band width because it is broadened by the non 0-0 transitions via the Franck-Condon principle. Our view point provides a possible reconciliation between these photoemission data and those measured by other techniques. (orig.)

  9. Electronic Structure of Eu6C60

    Institute of Scientific and Technical Information of China (English)

    WANG Xiao-Xiong; LI Hong-Nian; XU Ya-Bo; WANG Peng; ZHANG Wen-Hua; XU Fa-Qiang

    2009-01-01

    We study the valence band of Eu-intercalated C60 by synchrotron radiation photoelectron spectroscopy to un-derstand the ferromagnetism (FM) and the giant magnetoresistance (GMR) of Eu6C60. The results reveal the semiconducting property and the remarkable 5d6s-π hybridization. Eu-C60 bonding has both ionic and covalent contributions. No more than half the 5d6s electrons transfer from Eu to the LUMO derived band of C60, and the LUMO+1 derived band is not filled. The remaining valence electrons of Eu, together with some π (LUMO, HOMO and HOMO-1) electrons, constitute the covalent bond. The electronic structure implies that the magnetic coupling in Eu6C60 should be through the intra-atomic f-sd exchange and the medium of the π electrons. The possibility of the GMR being tunnelling magnetoresistance is ruled out.

  10. Fullerenes and disk-fullerenes

    International Nuclear Information System (INIS)

    Deza, M; Dutour Sikirić, M; Shtogrin, M I

    2013-01-01

    A geometric fullerene, or simply a fullerene, is the surface of a simple closed convex 3-dimensional polyhedron with only 5- and 6-gonal faces. Fullerenes are geometric models for chemical fullerenes, which form an important class of organic molecules. These molecules have been studied intensively in chemistry, physics, crystallography, and so on, and their study has led to the appearance of a vast literature on fullerenes in mathematical chemistry and combinatorial and applied geometry. In particular, several generalizations of the notion of a fullerene have been given, aiming at various applications. Here a new generalization of this notion is proposed: an n-disk-fullerene. It is obtained from the surface of a closed convex 3-dimensional polyhedron which has one n-gonal face and all other faces 5- and 6-gonal, by removing the n-gonal face. Only 5- and 6-disk-fullerenes correspond to geometric fullerenes. The notion of a geometric fullerene is therefore generalized from spheres to compact simply connected two-dimensional manifolds with boundary. A two-dimensional surface is said to be unshrinkable if it does not contain belts, that is, simple cycles consisting of 6-gons each of which has two neighbours adjacent at a pair of opposite edges. Shrinkability of fullerenes and n-disk-fullerenes is investigated. Bibliography: 87 titles

  11. Fullerenes and disk-fullerenes

    Science.gov (United States)

    Deza, M.; Dutour Sikirić, M.; Shtogrin, M. I.

    2013-08-01

    A geometric fullerene, or simply a fullerene, is the surface of a simple closed convex 3-dimensional polyhedron with only 5- and 6-gonal faces. Fullerenes are geometric models for chemical fullerenes, which form an important class of organic molecules. These molecules have been studied intensively in chemistry, physics, crystallography, and so on, and their study has led to the appearance of a vast literature on fullerenes in mathematical chemistry and combinatorial and applied geometry. In particular, several generalizations of the notion of a fullerene have been given, aiming at various applications. Here a new generalization of this notion is proposed: an n-disk-fullerene. It is obtained from the surface of a closed convex 3-dimensional polyhedron which has one n-gonal face and all other faces 5- and 6-gonal, by removing the n-gonal face. Only 5- and 6-disk-fullerenes correspond to geometric fullerenes. The notion of a geometric fullerene is therefore generalized from spheres to compact simply connected two-dimensional manifolds with boundary. A two-dimensional surface is said to be unshrinkable if it does not contain belts, that is, simple cycles consisting of 6-gons each of which has two neighbours adjacent at a pair of opposite edges. Shrinkability of fullerenes and n-disk-fullerenes is investigated. Bibliography: 87 titles.

  12. Density Functional Theory Study of the Interaction of Hydrogen with Li6C60.

    Science.gov (United States)

    Wang, Qian; Jena, Puru

    2012-05-03

    Hydrogen storage properties of Li-coated C60 fullerene have been studied using density functional theory within the local density as well as generalized gradient approximation. Hydrogen atoms are found to bind to Li6C60 in two distinct forms, with the first set attaching to C atoms, not linked to Li, in atomic form. Once all such C atoms are saturated with hydrogen, the second set of hydrogen atoms bind quasi-molecularly to the Li atoms, five of which remain in the exohedral and the sixth in the endohedral position. The corresponding hydrogen gravimetric density in Li6C60H40 is 5 wt %. Desorption of hydrogen takes place in succession, the ones bound quasi-molecularly desorbing at a temperature lower than the ones bound atomically. The results are compared with the recent experiment on hydrogen adsorption in Li6C60.

  13. Rotational dynamics of C60 in Na2RbC60

    International Nuclear Information System (INIS)

    Christides, C.; Prassides, K.; Neumann, D.A.; Copley, J.R.D.; Mizuki, J.; Tanigaki, K.; Hirosawa, I.; Ebbesen, T.W.

    1993-01-01

    We have measured the low-energy neutron inelastic-scattering (NIS) spectra of superconducting Na 2 RbC 60 in the temperature range 50-350 K. Well-defined librational peaks are observed at 50 K at 2.83(17) meV (FWHM = 1.7(5) meV). They soften and broaden with increasing temperature. Their behaviour mimics that found in solid C 60 and differs markedly from K 3 C 60 . The rotational barrier for C 60 reorientations in Na 2 RbC 60 is somewhat higher than in pristine C 60 and approximately half as large as in K 3 C 60 . An order-disorder transition is anticipated at a temperature higher than that found in C 60 . (orig.)

  14. Excimer-laser-irradiation-induced effects in C60 films for photovoltaic applications

    International Nuclear Information System (INIS)

    Narayanan, K.L.; Yamaguchi, M.; Azuma, H.

    2002-01-01

    Thin films of fullerene C 60 deposited by the molecular-beam epitaxy method have been subjected to a 248 nm excimer laser for various timings. Reduction in the electrical resistance of the films and the spectral evolution of the D and G bands in the Raman spectra, due to the sharp tendency towards graphitization accompanied by an increasing level of structural disorder, are observed during laser irradiation. Based on the above results, an attempt has been carried out on these irradiated C 60 films to make a device sandwiched with n-type Si, and the photovoltaic parameters are reported as a function of the laser exposure times

  15. Energy-level alignment at interfaces between manganese phthalocyanine and C60

    Directory of Open Access Journals (Sweden)

    Daniel Waas

    2017-04-01

    Full Text Available We have used photoelectron spectroscopy to determine the energy-level alignment at organic heterojunctions made of manganese phthalocyanine (MnPc and the fullerene C60. We show that this energy-level alignment depends upon the preparation sequence, which is explained by different molecular orientations. Moreover, our results demonstrate that MnPc/C60 interfaces are hardly suited for application in organic photovoltaic devices, since the energy difference of the two lowest unoccupied molecular orbitals (LUMOs is rather small.

  16. Direct observation of interfacial C60 cluster formation in polystyrene-C60 nanocomposite films

    International Nuclear Information System (INIS)

    Han, Joong Tark; Lee, Geon-Woong; Kim, Sangcheol; Lee, Hae-Jeong; Douglas, Jack F; Karim, Alamgir

    2009-01-01

    Large interfacial C 60 clusters were directly imaged at the supporting film-substrate interface in physically detached polystyrene-C 60 nanocomposite films by atomic force microscopy, confirming the stabilizing mechanism previously hypothesized for thin polymer films. Additionally, we found that the C 60 additive influences basic thermodynamic film properties such as the interfacial energy and the film thermal expansion coefficient.

  17. Product Characterization and Headspace Analysis of Solar Irradiated Aqueous C60 Clusters

    OpenAIRE

    Su, Dan

    2013-01-01

    Buckminsterfullerene (C60) is an important fullerene material that has drawn much attention and is currently being applied in many different fields. It was discovered in 1985. As its production has largely increased to meet these industrial needs, it is obvious that its environmental occurrence, especially in aqueous systems, will occur. To further provide information for environmental toxicity studies and for its risk assessment, this thesis focuses on the photo transformation processes of a...

  18. Growth and Potential Damage of Human Bone-Derived Cells Cultured on Fresh and Aged C60/Ti Films

    Science.gov (United States)

    Kopova, Ivana; Lavrentiev, Vasily; Vacik, Jiri; Bacakova, Lucie

    2015-01-01

    Thin films of binary C60/Ti composites, with various concentrations of Ti ranging from ~ 25% to ~ 70%, were deposited on microscopic glass coverslips and were tested for their potential use in bone tissue engineering as substrates for the adhesion and growth of bone cells. The novelty of this approach lies in the combination of Ti atoms (i.e., widely used biocompatible material for the construction of stomatological and orthopedic implants) with atoms of fullerene C60, which can act as very efficient radical scavengers. However, fullerenes and their derivatives are able to generate harmful reactive oxygen species and to have cytotoxic effects. In order to stabilize C60 molecules and to prevent their possible cytotoxic effects, deposition in the compact form of Ti/C60 composites (with various Ti concentrations) was chosen. The reactivity of C60/Ti composites may change in time due to the physicochemical changes of molecules in an air atmosphere. In this study, we therefore tested the dependence between the age of C60/Ti films (from one week to one year) and the adhesion, morphology, proliferation, viability, metabolic activity and potential DNA damage to human osteosarcoma cells (lines MG-63 and U-2 OS). After 7 days of cultivation, we did not observe any negative influence of fresh or aged C60/Ti layers on cell behavior, including the DNA damage response. The presence of Ti atoms resulted in improved properties of the C60 layers, which became more suitable for cell cultivation. PMID:25875338

  19. Thermodynamics of TMPC/PSd/Fullerene Nanocomposites: SANS Study

    KAUST Repository

    Chua, Yang-Choo; Chan, Alice; Wong, Him-Cheng; Higgins, Julia S.; Cabral, João T.

    2010-01-01

    ) analysis demonstrate that 1-2 mass % of C60 fullerenes destabilizes a highly interacting mixture of poly(tetramethyl bisphenol A polycarbonate) and deuterated polystyrene (TMPC/PSd). We unequivocally corroborate these findings with time-resolved temperature

  20. Fullerene C60 and hybrid C60/Ti films as substrates for adhesion and growth of bone cells (p NA)

    Czech Academy of Sciences Publication Activity Database

    Vandrovcová, Marta; Vacík, Jiří; Švorčík, V.; Slepička, P.; Kasálková, N.; Vorlíček, Vladimír; Lavrentiev, Vasyl; Voseček, Václav; Grausová, Ľubica; Lisá, Věra; Bačáková, Lucie

    2008-01-01

    Roč. 205, č. 9 (2008), s. 2252-2261 ISSN 0031-8965 R&D Projects: GA ČR(CZ) GA204/06/0225; GA ČR(CZ) GA101/06/0226; GA AV ČR(CZ) KAN400480701 Grant - others:GA AVČR(CZ) KAN200100801; GA AV ČR(CZ) IAA400100701; GA AV ČR(CZ) IAA200480702; GA MŠk(CZ) LC06041 Program:KA; IA; IA; LC Institutional research plan: CEZ:AV0Z50110509; CEZ:AV0Z10480505; CEZ:AV0Z10100520 Keywords : carbon nanoparticles * patterned surfaces * regionally-selective cell colonization Subject RIV: EI - Biotechnology ; Bionics Impact factor: 1.214, year: 2007

  1. Fascinating serendipity some adventures in fullerene chemistry

    International Nuclear Information System (INIS)

    Braun, T.; Rauch, H.

    2001-01-01

    The lecture is divided to four chapters. Chapter one gives a short overview on the notion of serendipity and the serendipitous discovery of the fullerenes, the third allotropic form of carbon and will try to highlight why this discovery can be considered a revolution in chemistry. The second and third chapters present some results of the author's research group. Neutron irradiation of C 60 in a nuclear reactor has also made possible the serendipitous discovery of a new procedure for synthesis of endohedral C 60 compounds exemplified by the synthesis of many endohedral radio-fullerenes of * X at C 60 type. The fourth chapter of the lecture deals with 'Capture-captive chemistry' as a new typology for molecular containers including fullerenes. (author)

  2. Program Fullerene

    DEFF Research Database (Denmark)

    Wirz, Lukas; Peter, Schwerdtfeger,; Avery, James Emil

    2013-01-01

    Fullerene (Version 4.4), is a general purpose open-source program that can generate any fullerene isomer, perform topological and graph theoretical analysis, as well as calculate a number of physical and chemical properties. The program creates symmetric planar drawings of the fullerene graph, an......-Fowler, and Brinkmann-Fowler vertex insertions. The program is written in standard Fortran and C++, and can easily be installed on a Linux or UNIX environment....

  3. Electron Impact Ionization of C60

    International Nuclear Information System (INIS)

    Duenser, B.; Lezius, M.; Scheier, P.; Deutsch, H.; Maerk, T.D.

    1995-01-01

    Absolute partial and total cross sections for the electron impact ionization of C 60 have been measured using a novel approach for the absolute calibration. The results obtained reveal not only an anomalous large parent ion cross section (as compared to the other ionization channels), but also anomalies for the production of multiply charged parent and fragment ions. This special behavior has its origin in the specific electronic and geometric structure of C 60 . Semiclassical calculations for singly charged ions support the measured data

  4. Efficient Energy Sensitization of C 60 and Application to Organic Photovoltaics

    KAUST Repository

    Trinh, Cong

    2013-08-14

    Fullerenes are currently the most popular electron-acceptor material used in organic photovoltaics (OPVs) due to their superior properties, such as good electron conductivity and efficient charge separation at the donor/acceptor interface. However, low absorptivity in the visible spectral region is a significant drawback of fullerenes. In this study, we have designed a zinc chlorodipyrrin derivative (ZCl) that absorbs strongly in the visible region (450-600 nm) with an optical density 7-fold higher than a C60 film. ZCl efficiently transfers absorbed photoenergy to C60 in mixed films. Application of ZCl as an energy sensitizer in OPV devices leads to an increase in the photocurrent from the acceptor layer, without changing the other device characteristics, i.e., open circuit voltage and fill factor. For example, C 60-based OPVs with and without the sensitizer give 4.03 and 3.05 mA/cm2, respectively, while both have VOC = 0.88 V and FF = 0.44. Our ZCl sensitization approach improves the absorbance of the electron-acceptor layer while still utilizing the beneficial characteristics of C60 in OPVs. © 2013 American Chemical Society.

  5. Efficient Energy Sensitization of C 60 and Application to Organic Photovoltaics

    KAUST Repository

    Trinh, Cong; Kirlikovali, Kent O.; Bartynski, Andrew N.; Tassone, Christopher J.; Toney, Michael F.; Burkhard, George F.; McGehee, Michael D.; Djurovich, Peter I.; Thompson, Mark E.

    2013-01-01

    Fullerenes are currently the most popular electron-acceptor material used in organic photovoltaics (OPVs) due to their superior properties, such as good electron conductivity and efficient charge separation at the donor/acceptor interface. However, low absorptivity in the visible spectral region is a significant drawback of fullerenes. In this study, we have designed a zinc chlorodipyrrin derivative (ZCl) that absorbs strongly in the visible region (450-600 nm) with an optical density 7-fold higher than a C60 film. ZCl efficiently transfers absorbed photoenergy to C60 in mixed films. Application of ZCl as an energy sensitizer in OPV devices leads to an increase in the photocurrent from the acceptor layer, without changing the other device characteristics, i.e., open circuit voltage and fill factor. For example, C 60-based OPVs with and without the sensitizer give 4.03 and 3.05 mA/cm2, respectively, while both have VOC = 0.88 V and FF = 0.44. Our ZCl sensitization approach improves the absorbance of the electron-acceptor layer while still utilizing the beneficial characteristics of C60 in OPVs. © 2013 American Chemical Society.

  6. Precise Orientation of a Single C60 Molecule on the Tip of a Scanning Probe Microscope

    Science.gov (United States)

    Chiutu, C.; Sweetman, A. M.; Lakin, A. J.; Stannard, A.; Jarvis, S.; Kantorovich, L.; Dunn, J. L.; Moriarty, P.

    2012-06-01

    We show that the precise orientation of a C60 molecule which terminates the tip of a scanning probe microscope can be determined with atomic precision from submolecular contrast images of the fullerene cage. A comparison of experimental scanning tunneling microscopy data with images simulated using computationally inexpensive Hückel theory provides a robust method of identifying molecular rotation and tilt at the end of the probe microscope tip. Noncontact atomic force microscopy resolves the atoms of the C60 cage closest to the surface for a range of molecular orientations at tip-sample separations where the molecule-substrate interaction potential is weakly attractive. Measurements of the C60C60 pair potential acquired using a fullerene-terminated tip are in excellent agreement with theoretical predictions based on a pairwise summation of the van der Waals interactions between C atoms in each cage, i.e., the Girifalco potential [L. Girifalco, J. Phys. Chem. 95, 5370 (1991)JPCHAX0022-365410.1021/j100167a002].

  7. The first stable lower fullerene: C36

    International Nuclear Information System (INIS)

    Piskoti, C.; Zettl, A.

    1998-01-01

    A new pure carbon material, presumably composed of thirty six carbon atom molecules, has been synthesized and isolated in milligram quantities. It appears as though these molecules have a closed cage structure making them the smallest member of a new class of molecules known as fullerenes, most notably of which is the soccer ball shaped C 60 . However, unlike other known fullerenes, any closed, fullerene-like C 36 cage will necessarily contain fused pentagon rings. Therefore, this molecule apparently violates the isolated pentagon rule, a criterion which requires isolated pentagons for stability in fullerene molecules. Striking parallels between this problem and the synthesis of other fused five member fused ring systems will be discussed. Also, it will be shown that certain biological structures known as clathrin behave in a manner which gives excellent predictions about fullerenes and nanotubes. These predictions help to explain the presence of abundant quantities of C 36 in arced graphite soot. copyright 1998 American Institute of Physics

  8. Bridging C60 by silicon: Towards non-Van der Waals C60-based materials

    International Nuclear Information System (INIS)

    Tournus, F.; Masenelli, B.; Melinon, P.; Blase, X.; Perez, A.; Pellarin, M.; Broyer, M.; Flank, A.M.; Lagarde, P.

    2002-01-01

    We report the three-dimensional packing of C 60 clusters stabilized by the addition of Si. X-ray absorption spectroscopy reveals that Si atoms are in an unusual environment: between two C 60 , with ten or more carbon neighbors. According to ab initio calculations, the cohesive energy is about 2 eV per Si atom, much higher than the Van der Waals binding energy between two C 60 . Experiment and calculations both indicate a charge transfer from Si to C 60 . Eventually, the film may have a local decahedral symmetry

  9. The influence hydrogen atom addition has on charge switching during motion of the metal atom in endohedral Ca@C60H4 isomers

    Science.gov (United States)

    Raggi, G.; Besley, E.; Stace, A. J.

    2016-01-01

    Density functional theory has been applied in a study of charge transfer between an endohedral calcium atom and the fullerene cage in Ca@C60H4 and [Ca@C60H4]+ isomers. Previous calculations on Ca@C60 have shown that the motion of calcium within a fullerene is accompanied by large changes in electron density on the carbon cage. Based on this observation, it has been proposed that a tethered endohedral fullerene might form the bases of a nanoswitch. Through the addition of hydrogen atoms to one hemisphere of the cage it is shown that, when compared with Ca@C60, asymmetric and significantly reduced energy barriers can be generated with respect to motion of the calcium atom. It is proposed that hydrogen atom addition to a fullerene might offer a route for creating a bi-stable nanoswitch that can be fine-tuned through the selection of an appropriate isomer and number of atoms attached to the cage of an endohedral fullerene. This article is part of the themed issue ‘Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene’. PMID:27501967

  10. Iron-fullerene mixture plasma

    International Nuclear Information System (INIS)

    Biri, S.; Fekete, E.

    2004-01-01

    Complete text of publication follows. In many laboratories new materials useful for nanotechnology and medical applications are searched and studied. In the ECR labo- ratory one of our future goals is to produce endohedral fullerene molecules (e.g Fe C 60 ) in large quantity. If this comes true, it will be possible to make building blocks for nanoparts, an ultra-contrast medium of MRI, and a magnetic nano-particle for treatment of cancer. For this experiment some modifications were carried out on the ATOMKI-ECRIS [1]. The waveguide of the 14.5 GHz microwave generator was divided in order to couple very low powers (1 watt or less) into the plasma. The C 60 component of the plasma was produced by using a simple oven. Among known methods (oven, sputtering, electron bombardment, compounds containing Fe), we have chosen the evaporation of ferrocene [Fe(C 5 H 5 ) 2 ] powder to introduce Fe atoms into the plasma. The ferrocene chamber was connected to one of the two gas feeding lines and the evaporation rate was controlled by needle valve. The extraction voltage had to be kept as low as 600V, because of the low mass-energy product of our bending magnet. First we developed independently the rough working conditions for single-charged dense iron and fullerene plasmas. Then a clean fullerene plasma was made. The temperature of the oven was about 450 deg C. The bending magnet was set to the C 60 peak (M=720) and about 50-100 nA intensity of single-charged fullerene peak was obtained. Then the magnet was set to the position of the searched Fe C 60 or FeC 60 peak (M=776) and the ferrocene valve was opened. A very difficult and long tuning followed. Finally we found a new large peak with higher mass than C 60 . In Figure 1 the centre of the new big peak on the right side is located at M=776 which corresponds to FeC 60 and/or Fe C 60 molecules. The peak is wide and shows some structure. We think it may contain impurities attached to the C 58 , C 59 , C 60 and FeC 60 molecules. We

  11. Controlled contact to a C-60 molecule

    DEFF Research Database (Denmark)

    Neel, N.; Kröger, J.; Limot, L.

    2007-01-01

    The tip of a low-temperature scanning tunneling microscope is approached towards a C-60 molecule adsorbed at a pentagon-hexagon bond on Cu(100) to form a tip-molecule contact. The conductance rapidly increases to approximate to 0.25 conductance quanta in the transition region from tunneling to co...

  12. Fullerenes doped with metal halides

    International Nuclear Information System (INIS)

    Martin, T.P.; Heinebrodt, M.; Naeher, U.; Goehlich, H.; Lange, T.; Schaber, H.

    1993-01-01

    The cage-like structure of fullerenes is a challenge to every experimental to put something inside - to dope the fullerenes. In fact, the research team that first identified C 60 as a football-like molecule quickly succeeded in trapping metal atoms inside and in shrinking the cage around this atom by photofragmentation. In this paper we report the results of ''shrink-wrapping'' the fullerenes around metal halide molecules. Of special interest is the critical size (the minimum number of carbon atoms) that can still enclose the dopant. A rough model for the space available inside a carbon cage gives good agreement with the measured shrinking limits. (author). 8 refs, 6 figs

  13. Electronic properties of Mn-phthalocyanine–C60 bulk heterojunctions: Combining photoemission and electron energy-loss spectroscopy

    International Nuclear Information System (INIS)

    Roth, Friedrich; Herzig, Melanie; Knupfer, Martin; Lupulescu, Cosmin; Darlatt, Erik; Gottwald, Alexander; Eberhardt, Wolfgang

    2015-01-01

    The electronic properties of co-evaporated mixtures (blends) of manganese phthalocyanine and the fullerene C 60 (MnPc:C 60 ) have been studied as a function of the concentration of the two constituents using two supplementary electron spectroscopic methods, photoemission spectroscopy (PES) and electron energy-loss spectroscopy (EELS) in transmission. Our PES measurements provide a detailed picture of the electronic structure measured with different excitation energies as well as different mixing ratios between MnPc and C 60 . Besides a relative energy shift, the occupied electronic states of the two materials remain essentially unchanged. The observed energy level alignment is different compared to that of the related CuPc:C 60 bulk heterojunction. Moreover, the results from our EELS investigations show that, despite the rather small interface interaction, the MnPc related electronic excitation spectrum changes significantly by admixing C 60 to MnPc thin films

  14. Fullerenes: prospects of using in medicine, biology and ecology

    Directory of Open Access Journals (Sweden)

    D. V. Schur

    2012-02-01

    Full Text Available Results of our own research and academic literature data on the properties of fullerenes and carbon nanotubes are analysed and summarized. Chemical stability of the structure and low toxicity of fullerenes determine their usage in medical chemistry, pharmacology and cosmetology. Due to its mechanical strength the nanotubes have become the basis of clean construction and barrier materials. It is shown that a matrix based on fullerit C60 can be obtained. It allows to store up to 7.7 wt. % hydrogen with formation of hydrofullerit C60H60. The usage of fullerenes for accumulation and storage of hydrogen enhances the prospects of clean hydrogen energy development.

  15. Specific features of fullerene-bearing thin film growth using ion beam vacuum sputtering of fullerene mixtures with B, Fe, Se, Gd and Na

    International Nuclear Information System (INIS)

    Semenov, A.P.; Semenova, I.A.; Bulina, N.V.; Lopatin, V.A.; Karmanov, N.S.; Churilov, G.N.

    2005-01-01

    A new approach to the growth of films containing fullerenes and doping elements is described. It is suggested that a cluster mechanism of the target sputtering by accelerated ions makes possible the deposition of fullerenes on a substrate with a certain probability for dopant atoms being introduced into the cavities of fullerene molecules and a higher probability of the doping element introduction between fullerene molecules. The proposed method has been experimentally implemented by using an Ar ion beam to sputter C 60 /C 70 fullerene mixtures, synthesized in a plasmachemical reactor at a pressure of 10 5 Pa and containing a doping element, i.e. Fe, Na, B, Gd or Se. Micron-thick films containing C 60 and C 70 fullerenes and the corresponding dopant element, i.e. Fe, Na, B, Gd or Se, were grown from dopant-containing fullerene mixtures by ion beam sputtering in a vacuum of ∼10 -2 Pa [ru

  16. Is C60 fullerite harder than diamond?

    International Nuclear Information System (INIS)

    Blank, V.; Popov, M.; Buga, S.; Davydov, V.; Denisov, V.N.; Ivlev, A.N.; Mavrin, B.N.; Agafonov, V.; Ceolin, R.; Szwarc, H.; Rassat, A.

    1994-01-01

    Raman spectra of C 60 fullerite at pressures up to 37 GPa with shear deformation are studied. We have found two states at high pressures, that persist after pressure release and have various transparencies in the near IR region. The nontransparent state is formed at 6-18 GPa and has a Raman spectrum with broadened bands at frequencies close to those of the initial fullerite. The transparent state was obtained at pressures higher than 18 GPa, and the Raman bands are broadened and overlapping in comparison with those of the nontransparent state. We suppose that C 60 molecules persist in both states. The transparent state of fullerite shows a hardness higher than that of diamond. ((orig.))

  17. Electronic structure of C and Si fullerenes and fullerides

    International Nuclear Information System (INIS)

    Saito, S.

    1996-01-01

    Fullerenes, i.e., cage-structure clusters are now studied intensively as a building unit for a new class of materials. The electronic structure of C 60 and Si 20 fullerenes and their fullerides obtained in the framework of the density-functional theory is discussed with emphasis on the electronic as well as the geometrical hierarchy in superconducting fullerides. In both C 60 and Si 20 fullerides, the charge transfer from alkali atoms to fullerenes and the hybridization between alkaline-earth states and fullerene states are observed. Also A 3 C 60 and (Ba 3 Si 3 Na rate at Si 20 ) 2 superconductors are found to have high Fermi-level density of states, although the mechanism giving it is different in two materials. Interesting materials to be produced in the future are also discussed. (orig.)

  18. Water-soluble dietary fibers and cardiovascular disease.

    Science.gov (United States)

    Theuwissen, Elke; Mensink, Ronald P

    2008-05-23

    One well-established way to reduce the risk of developing cardiovascular disease (CVD) is to lower serum LDL cholesterol levels by reducing saturated fat intake. However, the importance of other dietary approaches, such as increasing the intake of water-soluble dietary fibers is increasingly recognized. Well-controlled intervention studies have now shown that four major water-soluble fiber types-beta-glucan, psyllium, pectin and guar gum-effectively lower serum LDL cholesterol concentrations, without affecting HDL cholesterol or triacylglycerol concentrations. It is estimated that for each additional gram of water-soluble fiber in the diet serum total and LDL cholesterol concentrations decrease by -0.028 mmol/L and -0.029 mmol/L, respectively. Despite large differences in molecular structure, no major differences existed between the different types of water-soluble fiber, suggesting a common underlying mechanism. In this respect, it is most likely that water-soluble fibers lower the (re)absorption of in particular bile acids. As a result hepatic conversion of cholesterol into bile acids increases, which will ultimately lead to increased LDL uptake by the liver. Additionally, epidemiological studies suggest that a diet high in water-soluble fiber is inversely associated with the risk of CVD. These findings underlie current dietary recommendations to increase water-soluble fiber intake.

  19. Supramolecular solubilization of fullerenes and radio-fullerenes in aqueous media

    International Nuclear Information System (INIS)

    Braun, T.

    1999-01-01

    In this paper we are dealing with the supramolecular complexation of fullerenes C 60 , C 70 , some functionalized fullerenes and of the dumbbell structured C 120 dimer, with two host molecules, namely γ-cyclo-dextrin (GCD), and sulfocalix[8]arene in order to make them soluble in water. Previous investigations by others have shown that the reactions of some mentioned fullerenes and cyclo-dextrins and calixarenes are very slow and tedious in liquid phase as a result of solvatation effects. That we have decided to pursue the supramolecular complexation as solid-solid reactions by using mechanochemical activation in a ball mill. A mechanochemical treatment was used to enhance chemical reactivity in solid-solid reactions in which GCD give a complex with the C 60 as 2:1 host-guest complex. The calix[8]arene complex with C 60 molecule has been prepared. The sulfonated form of the host is well soluble in water. Endohedral radio-fullerenes of the XandC60 type (where * X is a rare gas, e.g. Ar, Xe, Kr, radionuclide) were prepared by nuclear recoil after neutron irradiation, a method developed by the author The endohedrally labelled fullerenes were then mechanochemically complexed into a labelled supramolecular complex with cyclo-dextrin and calixarene hosts. (author)

  20. Collective electronic excitations in C60 crystals

    International Nuclear Information System (INIS)

    Wu, X.; Ulloa, S.E.

    1994-01-01

    We present a theoretical study of the electronic excitations in fullerene crystals by calculating the density-density correlation function in a fully nonlocal linear response theory. Our results indicate that the collective features associates with the π→π * transitions show strong anisotropic properties, with peaks changing by as much as 0.7 eV in different directions. Meanwhile, the calculated mode dispersion exhibits rather weak wave-number dependence along a given direction, in general agreement with experimental results. The oscillator strength also shows anisotropic behavior, with significant weight redistribution for different directions. We also analyze this system in terms of a classical point-dipole array model, and show that this simple model approximates well the quantum results

  1. Inner-shell near-threshold photoionization of A-C60 endohedral atoms

    International Nuclear Information System (INIS)

    Baltenkov, Arkadiy S.; Dolmatov, Valery K.; Manson, Steven T.

    2002-01-01

    Photoelectron angular distributions and total photoionization cross sections of near-threshold 1s photoionization of Li from the oriented-in-space endohedral Li-C 60 fullerene are investigated within the framework of our recently developed photoionization theory of multicenter formations. Both at-the-center and off-the-center endohedral Li are considered, and off-the-center effects are shown to be of extreme importance, in contrast to the conventional wisdom. Multiple-scattering effects on the outgoing photoelectron are included and found to influence the photoionization spectra strongly, e.g., decreasing the cross section by more than an order of magnitude in certain cases, as compared to the situation when such effects are neglected. Diffraction resonances in the photoionization cross section of the endohedral Li atom are found as a result of the multicenter nature of the C 60 surrounding cage, and these are compared with the results of other empirical and ab initio theories. Since there is nothing particularly special about Li 1s with respect to photoionization, the trends uncovered in this paper should qualitatively apply to near-threshold inner-shell ns photoionization spectra of virtually any endohedral atom A from any A-C 60 endohedral fullerene formation

  2. Effects of carboxylic acids on nC60 aggregate formation

    International Nuclear Information System (INIS)

    Chang Xiaojun; Vikesland, Peter J.

    2009-01-01

    The discovery that negatively charged aggregates of C 60 fullerene (nC 60 ) are stable in water has raised concerns regarding the potential environmental and health effects of these aggregates. In this work, we show that nC 60 aggregates produced by extended mixing in the presence of environmentally relevant carboxylic acids (acetic acid, tartaric acid, citric acid) have surface charge and morphologic properties that differ from those produced by extended mixing in water alone. In general, aggregates formed in the presence of these acids have a more negative surface charge and are more homogeneous than those produced in water alone. Carboxylic acid identity, solution pH, and sodium ion concentration, which are all intricately coupled, play an important role in setting the measured surface charge. Comparisons between particle sizes determined by analysis of TEM images and those obtained by dynamic light scattering (DLS) indicate that DLS results require careful evaluation when used to describe nC 60 aggregates. - The effects of carboxylic acids on the formation of nC 60 aggregates are discussed

  3. Extraction and high-performance liquid chromatographic analysis of C60, C70, and [6,6]-phenyl C61-butyric acid methyl ester in synthetic and natural waters.

    Science.gov (United States)

    Bouchard, Dermont; Ma, Xin

    2008-09-05

    Studies have shown that C(60) fullerene can form stable colloidal suspensions in water that result in C(60) aqueous concentrations many orders of magnitude above C(60)'s aqueous solubility; however, quantitative methods for the analysis of C(60) and other fullerenes in environmental media are scarce. Using a 80/20v/v toluene-acetonitrile mobile phase and a 4.6 mm x 150 mm Cosmosil 5micron PYE column, C(60), C(70), and PCBM ([6,6]-phenyl C(61)-butyric acid methyl ester) were fully resolved. Selectivity factors (alpha) for C(60) relative to PCBM and C(70) relative to C(60) were 3.18 and 2.19, respectively. The best analytical wavelengths for the fullerenes were determined to be 330, 333, and 333 nm with log molar absorption coefficients (log epsilon) of 4.63, 4.82, and 4.60 for PCBM, C(60), C(70), respectively. Extraction and quantitation of all three fullerenes in aqueous suspensions over a range of pH (4-10) and ionic strengths were very good. Whole-method quantification limits for ground and surface suspensions were 2.87, 2.48, and 6.54 microg/L for PCBM, C(60), and C(70), respectively.

  4. Photophysics of fullerenes: Thermionic emission

    International Nuclear Information System (INIS)

    Compton, R.N.; Tuinman, A.A.; Huang, J.

    1996-01-01

    Multiphoton ionization of fullerenes using long-pulse length lasers occurs mainly through vibrational autoionization. In many cases the laser ionization can be described as thermionic in analogy to the boiling off of electrons from a filament. Thermionic emission manifests itself as a delayed emission of electrons following pulsed laser excitation. Klots has employed quasiequilibrium theory to calculate rate constants for thermionic emission from fullerenes which seem to quantitatively account for the observed delayed emission times and the measured electron energy distributions. The theory of Klots also accounts for the thermionic emission of C 60 excited by a low power CW Argon Ion laser. Recently Klots and Compton have reviewed the evidence for thermionic emission from small aggregates where mention was also made of experiments designed to determine the effects of externally applied electric fields on thermionic emission rates. The authors have measured the fullerene ion intensity as a function of the applied electric field and normalized this signal to that produced by single photon ionization of an atom in order to correct for all collection efficiency artifacts. The increase in fullerene ion signal relative to that of Cs + is attributed to field enhanced thermionic emission. From the slope of the Schottky plot they obtain a temperature of approximately 1,000 K. This temperature is comparable to but smaller than that estimated from measurements of the electron kinetic energies. This result for field enhanced thermionic emission is discussed further by Klots and Compton. Thermionic emission from neutral clusters has long been known for autodetachment from highly excited negative ions. Similarly, electron attachment to C 60 in the energy range from 8 to 12 eV results in C 60 anions with lifetimes in the range of microseconds. Quasiequilibrium theory (QET) calculations are in reasonable accord with these measurements

  5. Study on REE bound water-soluble polysaccharides in plant

    International Nuclear Information System (INIS)

    Wang Yuqi; Guo Fanqing; Xu Lei; Chen Hongmin; Sun Jingxin; Cao Guoyin

    1999-01-01

    The binding of REE with water-soluble polysaccharides (PSs) in leaves of fern Dicranopteris Dichotoma (DD) has been studied by molecular activation analysis. The cold-water-soluble and hot-water-soluble PSs in leaves of DD were obtained by using biochemical separation techniques. The PSs of non-deproteinization and deproteinization, were separated on Sephadex G-200 gel permeation chromatography. The absorption curves of elution for the PSs were obtained by colorimetry, and the proteins were detected using Coomassic brilliant G-250. Eight REEs (La, Ce, Nd, Sm, Eu, Tb, Yb and Lu) in these PSs were determined by instrumental neutron activation analysis. The results obtained show that the REEs are bound firmly with the water-soluble PSs in the plant. A measurement demonstrates that the PSs bound with REEs are mainly of smaller molecular weight (10,000 to 20,000 Dalton)

  6. Determination of Carboxylic Acids and Water-soluble Inorganic Ions ...

    African Journals Online (AJOL)

    NICO

    radiation balance.4,5 Major water-soluble inorganic ions are associated with atmospheric ... molecular weight carboxylic acids in aerosol samples collected from a rural ... include biomass burning, agriculture, livestock and soil dust. Tropical ...

  7. Characterization of Gasolines, Diesel Fuels and Their Water Soluble Fractions

    Science.gov (United States)

    1983-09-01

    Hutchinson, et al.,1979 ) with the marine algae, Chlorella vulgaris and Chlamydomonas angulosa, suggests that the toxicity of hydrocarbons is a...water-soluble petroleum components on the growth of Chlorella vulgaris Beijernck. Environ. Poll. 9: 157. Morrow, J.E., et al. 1975. Effects of some...P.B., and T.C. Hutchison. 1975. The effects of water-soluble petroleum components on the growth of Chlorella vulqaris Beijerinck. Environ. Poll. 9

  8. Structural and phase changes in copper-fullerene films by ion implantation and annealing

    International Nuclear Information System (INIS)

    Shpilevsky, E.M.; Baran, L.V.; Okatova, G.P.; Jakimovich, A.V.

    2001-01-01

    The structural and phase changes and the electrical properties of copper - fullerene (Cu-C 60 ) films by the ion implantation(B + , E=80 keV, D 5·10 21 m -2 ) and the thermal annealing are described. We found the copper-fullerene solid supersaturated solution formed in process of the two-component films obtaining. The result of the thermal annealing is the phase segregation of fullerene. It has been established the ion implantation adduces to the partial fragmentation of fullerene, to the destruction of the C 60 molecules and to the formation of the CuB 24 , B 25 C and B 4 C phases

  9. Detection of C60 and C70 in a young planetary nebula.

    Science.gov (United States)

    Cami, Jan; Bernard-Salas, Jeronimo; Peeters, Els; Malek, Sarah Elizabeth

    2010-09-03

    In recent decades, a number of molecules and diverse dust features have been identified by astronomical observations in various environments. Most of the dust that determines the physical and chemical characteristics of the interstellar medium is formed in the outflows of asymptotic giant branch stars and is further processed when these objects become planetary nebulae. We studied the environment of Tc 1, a peculiar planetary nebula whose infrared spectrum shows emission from cold and neutral C60 and C70. The two molecules amount to a few percent of the available cosmic carbon in this region. This finding indicates that if the conditions are right, fullerenes can and do form efficiently in space.

  10. Modification of C60/C70+Pd film structure under electric field influence during electron emission

    International Nuclear Information System (INIS)

    Czerwosz, E.; Dluzewski, P.; Kozlowski, M.

    2001-01-01

    We investigated the modification of structure of C 60 /C 70 +Pd films during cold electron emission from these films. Films were obtained by vacuum thermal deposition from two sources and were characterised before and after electron emission measurements by transmission electron microscopy and electron diffraction. Films were composed of nanocrystalline Pd objects dispersed in carbon/fullerenes matrix. I-V characteristics for electron emission were obtained in diode geometry with additionally applied voltage along the film surface. The modification of film structure occurred under applied electric field and the grouping of Pd nano crystals into bigger objects was observed

  11. In situ x-ray diffraction studies of three-dimensional C60 polymers

    International Nuclear Information System (INIS)

    Wood, R A; Lewis, M H; Bennington, S M; Cain, M G; Kitamura, N; Fukumi, A K

    2002-01-01

    In situ investigations into the P/T field of C 60 fullerene were performed using energy-dispersive x-ray diffraction techniques. Isobars were obtained at 11 and 9 GPa accompanied by isotherms at 750 and 800 K with pressure reaching 13 GPa. The P/T history and pressure isotropy were investigated with the aim of optimizing conditions for 3D polymer formation. Confirmation of the formation of 3D polymers was performed in situ; however, the reclaimed sample did not exhibit the expected high hardness value, due to depolymerization on pressure release. Isotropy in the pressure field promoted formation and retention of the face-centred-cubic structure

  12. Preparation and Preliminary Dielectric Characterization of Structured C60-Thiol-Ene Polymer Nanocomposites Assembled Using the Thiol-Ene Click Reaction

    Directory of Open Access Journals (Sweden)

    Hanaa M. Ahmed

    2015-11-01

    Full Text Available Fullerene-containing materials have the ability to store and release electrical energy. Therefore, fullerenes may ultimately find use in high-voltage equipment devices or as super capacitors for high electric energy storage due to this ease of manipulating their excellent dielectric properties and their high volume resistivity. A series of structured fullerene (C60 polymer nanocomposites were assembled using the thiol-ene click reaction, between alkyl thiols and allyl functionalized C60 derivatives. The resulting high-density C60-urethane-thiol-ene (C60-Thiol-Ene networks possessed excellent mechanical properties. These novel networks were characterized using standard techniques, including infrared spectroscopy (FTIR, differential scanning calorimetry (DSC, dynamic mechanical analysis (DMA, and thermal gravimetric analysis (TGA. The dielectric spectra for the prepared samples were determined over a broad frequency range at room temperature using a broadband dielectric spectrometer and a semiconductor characterization system. The changes in thermo-mechanical and electrical properties of these novel fullerene-thiol-ene composite films were measured as a function of the C60 content, and samples characterized by high dielectric permittivity and low dielectric loss were produced. In this process, variations in chemical composition of the networks were correlated to performance characteristics.

  13. Fullerene derivatives and fullerene superconductors

    International Nuclear Information System (INIS)

    Wang, H.H.; Schlueter, J.A.; Cooper, A.C.

    1993-01-01

    A series of 1:1 C 60 Cycloaddition adducts, C 60 A (A = anthracene, butadiene, cyclopentadiene, and methylcyclopentadiene), has been synthesized. The products are cleanly separated and characterized by use of TGA, 1H-NMR, IR, and mass spectrometry. Among these adducts, C 60 (methylcyclopentadiene) showed the highest thermal stability and was doped with three equivalents of rubidium. The resulting Rb 3 C 60 (MeCp) is a semiconductor but can be thermally converted to the superconducting Rb 3 C 60 through a retro-Diels-Alder reaction. A one-step doping process to prepare Rb 3 C 60 crystals has been developed. The optimal doping condition occurs at ∼ 300 degrees C. High superconducting shielding fractions between 60 and 90% and sharp transition widths (ΔT 10--90 between 4 and 0.7 K) were measured for these samples

  14. Fullerene-doped conducting polymers: effects of enhanced photoconductivity and quenched photoluminescence

    International Nuclear Information System (INIS)

    Yoshino, K.; Yin, X.H.; Muro, K.; Kiyomatsu, S.; Morita, S.; Zakhidov, A.A.; Noguchi, T.; Ohnishi, T.

    1993-01-01

    It is found that fullerenes (C 60 , C 70 ), due to their strong electron accepting abilities can be hole generators in conducting polymers sensitizing photoinduced charge transfer. Here we report that photoconductivity of poly(2,5-dialkoxy-p-phenylene-vinylene) OO-PPV is found to be remarkably enhanced by several orders of magnitude upon introduction of several mol % of C 60 . Positive polarons (P + ) photogenerated with increased efficiency due to autoionization of excitons and/or photopumping from fullerene are considered to be responsible for enhanced photoconductivity. Photoluminescence of polymer is strongly quenched upon C 60 doping due to dissociation of excitons accompanied by electron transfer to fullerene. (orig.)

  15. Polymerization of solid C60 under C60 cluster ion bombardment

    Czech Academy of Sciences Publication Activity Database

    Lavrentiev, Vasyl; Vacík, Jiří; Naramoto, H.; Narumi, K.

    2009-01-01

    Roč. 95, - (2009), s. 867-873 ISSN 0947-8396 R&D Projects: GA AV ČR(CZ) KAN400480701; GA MŠk(CZ) LC06041 Institutional research plan: CEZ:AV0Z10480505 Keywords : fulleren * cluster * bombardment * polymerization Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.595, year: 2009 http://www.springerlink.com/content/0947-8396

  16. Structure of C60: Partial orientational order in the room-temperature modification of C60

    International Nuclear Information System (INIS)

    Buergi, H.B.; Restori, R.; Schwarzenbach, D.

    1993-01-01

    Using published synchrotron X-ray data, the room-temperature scattering density distribution of pure C 60 has been parametrized in terms of a combination of eight oriented symmetry-related images of the molecule, and of a freely spinning molecule. Corresponding populations are 61 and 39%. The oriented part of the model is obtained, in good approximation, by imposing m anti 3m symmetry on the energetically more favourable major orientation in the low-temperature structure of C 60 . The model was refined using angle restraints to impose the icosahedral molecular symmetry and displacement-factor restraints to restrict thermal movements to rigid-body translations and librations. Translational displacement factors are in the range 0.017-0.023 A 2 . The orientational probability density distribution obtained from the model shows maxima for C 60 orientations possessing anti 3m crystallographic site symmetry. It is also relatively large for the C 60 orientations with cubic site symmetry m anti 3. The smallest energy barrier for reorientation between different anti 3m orientations via an m anti 3 orientation appears to be less than 2 kJ mol -1 . On average, 75% of the intermolecular contacts of the oriented molecules are longer than those observed in the low-temperature structure, the other 25% are less favourable. The second orientation of C 60 found in the low-temperature structure could not be identified at room temperature. (orig.)

  17. Micelle-encapsulated fullerenes in aqueous electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Ala-Kleme, T., E-mail: timo.ala-kleme@utu.fi [Department of Chemistry, University of Turku, 20014 Turku (Finland); Maeki, A.; Maeki, R.; Kopperoinen, A.; Heikkinen, M.; Haapakka, K. [Department of Chemistry, University of Turku, 20014 Turku (Finland)

    2013-03-15

    Different micellar particles Mi(M{sup +}) (Mi=Triton X-100, Triton N-101 R, Triton CF-10, Brij-35, M{sup +}=Na{sup +}, K{sup +}, Cs{sup +}) have been prepared in different aqueous H{sub 3}BO{sub 3}/MOH background electrolytes. It has been observed that these particles can be used to disperse the highly hydrophobic spherical [60]fullerene (1) and ellipsoidal [70]fullerene (2). This dispersion is realised as either micelle-encapsulated monomers Mi(M{sup +})1{sub m} and Mi(M{sup +})2{sub m} or water-soluble micelle-bound aggregates Mi(M{sup +})1{sub agg} and Mi(M{sup +})2{sub agg}, where especially the hydration degree and polyoxyethylene (POE) thickness of the micellar particle seems to play a role of vital importance. Further, the encapsulation microenvironment of 1{sub m} was found to depend strongly on the selected monovalent electrolyte cation, i.e., the encapsulated 1{sub m} is accommodated in the more hydrophobic microenvironment the higher the cationic solvation number is. - Highlights: Black-Right-Pointing-Pointer Different micellar particles is used to disperse [60]fullerene and [70]fullerene. Black-Right-Pointing-Pointer Fullerene monomers or aggregates are dispersed encaging or bounding by micelles. Black-Right-Pointing-Pointer Effective facts are hydration degree and polyoxyethylene thickness of micelle.

  18. Optical High Harmonic Generation in C60

    Science.gov (United States)

    Zhang, Guoping

    2005-03-01

    C60 et al. Physical Review Letters Physical Review B High harmonic generation (HHG) requires a strong laser field, but in a relatively weak laser field is sufficient. Numerical results presented here show while its low order harmonics result from the laser field, its high order ones are mainly from the multiple excitations. Since high order harmonics directly correlate electronic transitions, the HHG spectrum accurately measures transition energies. Therefore, is not only a promising material for HHG, but may also present an opportunity to develop HHG into an electronic structure probing tool. References: G. P. Zhang, 91, 176801 (2003); G. P. Zhang and T. F. George, 68, 165410 (2003); P. B. Corkum, 71, 1994 (1993); G. P. Zhang and Thomas F. George, 93, 147401 (2004); H. Niikura ,ature 417, 917 (2002); ibid. 421, 826 (2003); Y. Mairesse ,cience 302, 1540 (2003); A. Baltuska ,ature 421, 611 (2003).

  19. Degradability of aged aquatic suspensions of C60 nanoparticles

    DEFF Research Database (Denmark)

    Hartmann, Nanna Isabella Bloch; Buendia, Inmaculada M.; Bak, Jimmy

    2011-01-01

    In this study, aged aqueous suspensions of C(60) (nC(60)) were investigated in the respirometric OECD test for ready biodegradability. Two suspensions of nC(60) were prepared by stirring and aged under indirect exposure to sunlight for 36 months. ATR-FTIR analyses confirmed the presence of C(60)-...

  20. Improving efficiency of pentacene/C60 based solar cells with mixed interlayers

    International Nuclear Information System (INIS)

    Hung, Kuang-Teng; Huang, Kuan-Ta; Hsiao, Chu-Yun; Shih, Chuan-Feng

    2011-01-01

    This work presents a modified architecture for conventional pentacene/fullerene (C 60 ) solar cells by inserting alternately deposited C 60 /pentacene interlayers (∼ 1-2 nm per layer). The cell parameters, the incident photon-to-current efficiency spectra and the atomic force microscopy were used to characterize devices that had different numbers of inserting layers. The power conversion efficiency (PCE) increased markedly from 0.77 to 1.60% as the number of the inserted pairs increased from zero to three. The PCE further increased to 1.73% after post-annealing. The interlayers formed an interpenetrating network, enlarging the area over which excitons dissociate. When the number of interlayers and post-annealing conditions were optimized, the resistance and the surface roughness were minimized. When the number of pairs was increased to five, cell performance was degraded. The mechanism by which the properties of the solar cells are related to the inserted layers is presented.

  1. The impact of electrostatic interactions on ultrafast charge transfer at Ag 29 nanoclusters–fullerene and CdTe quantum dots–fullerene interfaces

    KAUST Repository

    Ahmed, Ghada H.; Parida, Manas R.; Tosato, Alberto; AbdulHalim, Lina G.; Usman, Anwar; Alsulami, Qana; Banavoth, Murali; Alarousu, Erkki; Bakr, Osman; Mohammed, Omar F.

    2015-01-01

    investigate the electrostatic interactions between the positively charged fullerene derivative C60-(N,N dimethylpyrrolidinium iodide) (CF) employed as an efficient molecular acceptor and two different donor molecules: Ag29 nanoclusters (NCs) and CdTe quantum

  2. Physical properties of C60 intercalated graphite films

    International Nuclear Information System (INIS)

    Nakahara, T; Hosomi, N; Taniguchi, J; Suzuki, M; Sato, T; Abe, K; Kuwahara, D; Ishikawa, M; Kato, M; Miura, K

    2007-01-01

    Recently, Miura and Tsuda have synthesized C 60 intercalated graphite film (C 60 /Gr) and reported that the C 60 /Gr consists of alternating close-packed C 60 monolayers and graphite layers. They also found that its frictional force is minimal up to the loading force of 100 nN using AFM [Miura K and Tsuda D 2005 e-J. Surf. Sci. Nanotech. 3 21] Thus, we have started to study the physical properties of C 60 /Gr and carried out NMR, Raman scattering and specific heat measurements. These results suggest that C 60 in C 60 /Gr rotates at room temperature

  3. Synthesis of mesogenic phthalocyanine-C60 donor–acceptor dyads designed for molecular heterojunction photovoltaic devices

    Directory of Open Access Journals (Sweden)

    Yves Henri Geerts

    2009-10-01

    Full Text Available A series of phthalocyanine-C60 dyads 2a–d was synthesized. Key steps in their synthesis are preparation of the low symmetry phthalocyanine intermediate by the statistical condensation of two phthalonitriles, and the final esterification of the fullerene derivative bearing a free COOH group. Structural characterization of the molecules in solution was performed by NMR spectroscopy, UV–vis spectroscopy and cyclic voltammetry. Preliminary studies suggest formation of liquid crystalline (LC mesophases for some of the prepared dyads. To the best of our knowledge, this is the first example of LC phthalocyanine-C60 dyads.

  4. Asymmetric Flow Field Flow Fractionation of Aqueous C60 Nanoparticles with Size Determination by Dynamic Light Scattering and Quantification by Liquid Chromatography Atmospheric Pressure Photo-Ionization Mass Spectrometry

    Science.gov (United States)

    A size separation method was developed for aqueous C60 fullerene aggregates (aqu/C60) using asymmetric flow field flow fractionation (AF4) coupled to a dynamic light scattering detector in flow through mode. Surfactants, which are commonly used in AF4, were avoided as they may al...

  5. Fullerene genesis by ion beams

    International Nuclear Information System (INIS)

    Gamaly, E.G.; Chadderton, L.T.; Commonwealth Scientific and Industrial Research Organization, Lindfield, NSW

    1995-01-01

    Clearly detectable quantities of molecular fullerene (C 60 ), the most recently discovered allotrope of carbon, have been observed in graphite following irradiation with heavy projectile ions at energies of about 1 GeV using high pressure chromatography. Similar experiments using lower ion energies gave no corresponding signal, indicating an absence of fullerene. This clear difference suggests that there exists an energy threshold for fullerene genesis. Beginning with a microscopic description of deposition and transfer of energy from the ion to the target, a theoretical model is developed for interpretation of these and similar experiments. An important consequence is a description of the formation of large carbon clusters in the hot dense 'primeval soup' of single carbon atoms by means of random 'sticky' collisions. The ion energy threshold is seen as arising, physically, from a balance in the competition between the rate of primary energy deposition and the rate of system cooling. Rate equations for the basic clustering process allow calculations of the time-dependent number densities for the different carbon clusters produced. An important consequence of the theory is that it is established that the region for the specific phase transition from graphite to fullerene lies in the same pressure regime on the phase diagram as does the corresponding transition for graphite to diamond. (author)

  6. Fullerenes, PAHs, Amino Acids and High Energy Astrophysics

    Directory of Open Access Journals (Sweden)

    Susana Iglesias-Groth

    2014-12-01

    Full Text Available We present theoretical, observational and laboratory work on the spectral properties of fullerenes and hydrogenated fullerenes. Fullerenes in its various forms (individual, endohedral, hydrogenated, etc. can contribute to the UV bump in the extinction curves measured in many lines of sight of the Galaxy. They can also produce a large number of absorption features in the optical and near infrared which could be associated with diffuse interstellar bands. We summarise recent laboratory work on the spectral characterisation of fullerenes and hydrogenated fullerenes (for a range of temperatures. The recent detection of mid-IR bands of fullerenes in various astrophysical environments (planetary nebulae, reflection nebulae provide additional evidence for a link between fullerene families and diffuse interstellar bands. We describe recent observational work on near IR bands of C60+ in a protoplanetary nebula which support fullerene formation during the post-AGB phase. We also report on the survival of fullerenes to irradiation by high energy particles and gamma photons and laboratory work to explore the chemical  reactions that take place when fullerenes are exposed to this radiations in the presence of water, ammonia and other molecules as a potential path to form amino acids.

  7. The influence of oxygen adsorption on the NEXAFS and core-level XPS spectra of the C60 derivative PCBM

    International Nuclear Information System (INIS)

    Brumboiu, Iulia Emilia; Eriksson, Olle; Brena, Barbara; Ericsson, Leif; Hansson, Rickard; Moons, Ellen

    2015-01-01

    Fullerenes have been a main focus of scientific research since their discovery due to the interesting possible applications in various fields like organic photovoltaics (OPVs). In particular, the derivative [6,6]-phenyl-C 60 -butyric acid methyl ester (PCBM) is currently one of the most popular choices due to its higher solubility in organic solvents compared to unsubstituted C 60 . One of the central issues in the field of OPVs is device stability, since modules undergo deterioration (losses in efficiency, open circuit voltage, and short circuit current) during operation. In the case of fullerenes, several possibilities have been proposed, including dimerization, oxidation, and impurity related deterioration. We have studied by means of density functional theory the possibility of oxygen adsorption on the C 60 molecular moiety of PCBM. The aim is to provide guidelines for near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectroscopy (XPS) measurements which can probe the presence of atomic or molecular oxygen on the fullerene cage. By analysing several configurations of PCBM with one or more adsorbed oxygen atoms, we show that a joint core level XPS and O1s NEXAFS investigation could be effectively used not only to confirm oxygen adsorption but also to pinpoint the bonding configuration and the nature of the adsorbate

  8. Generation, Characterization and Applications of Fullerenes

    Science.gov (United States)

    Liu, Shengzhong

    A contact-arc sputtering configuration has been adopted and optimized in order to generate fullerene-containing soot. Several stages of design improvements have made our equipment more effective in terms of yield and production rate. Upon modification of Wudl's Soxhlet separation procedure, we have been able to significantly speed up C_ {60} separation and higher fullerene enrichment. At least ten more separable HPLC peaks after C_ {84} have been observed for the first time. Preliminary laser desorption time of flight mass spectra suggest that our enriched higher fullerene sample possibly contains, C_{86}, C_{88}, C_ {90}, C_{92} , C_{94} and C _{96} in addition to the previously isolated smaller fullerenes C_ {60}, C_{70} , C_{76}, C _{78}(D_2), C_{78}(C_ {rm 2v}) and C_{84 }. Among these, C_{86 }, C_{88}, C_{92} show up for the first time in separable amounts and the controversial species --C_{94} appears present too. HPLC has been successfully used for high fullerene separation, pure C_{76}, C_{84} samples so far having been obtained. Fullerene decomposition (especially of higher fullerenes) in the column has been clearly identified. We defined HPLC peaks indicate that the oxidation process may follow certain "well defined" routes. A yellow epoxide band containing various oxides of C_{60 } has been extracted and characterized using mass spectrometry. Characterizations of pure C _{60} and C_{70 } include HPLC, mass spectrometry, vibrational IR and Raman spectroscopy, STM, TEM etc. Our Raman measurements completed the full assignment of C_{60 } fundamental modes and supplied more structural information on C_{70}. STM imaging supplied clear pictures of both C_ {60} and C_{70} molecular topologies. Especially for C _{70}, both the long and the short axes of the molecule have been clearly resolved. TEM observations involving imaging, diffraction and electron energy loss spectroscopy of crystalline C_{60} and C_{70} were performed. The room temperature lattice

  9. Mechanisms for oral absorption of poorly water-soluble compounds

    DEFF Research Database (Denmark)

    Lind, Marianne Ladegaard

    Abstract A large part of the new drug candidates discovered by the pharmaceutical industry have poor solubility in aqueous media. The preferred route of drug administration is the oral route, but for these poorly water-soluble drug candidates the oral bioavailability can be low and variable. Often......, phospholipids) and exogenous surfactants used in pharmaceutical formulations on the oral absorption of poorly water-soluble drug substances. Three different models were used for this purpose. The first model was the in vitro Caco-2 cell model. Simulated intestinal fluids which did not decrease cellular...... products are important for the solubilization of poorly water-soluble drug substances and thus absorption. The second model used was the lipoprotein secreting Caco-2 cell model, which was used to simulate intestinal lymphatic transport in vitro. Various simulated intestinal fluids were composed...

  10. Fullerenes Revisited

    Indian Academy of Sciences (India)

    IAS Admin

    gas sensors and other energy nanomaterials. ... synthesized in 1990 by Kramster et al, by an electric arc resistive heating of ... There are 120 symmetrical operations, like rotation around an axis and reflection in .... Figure 6. Generation of C60.

  11. Co-Exposure with Fullerene May Strengthen Health Effects of Organic Industrial Chemicals

    DEFF Research Database (Denmark)

    Lehto, M.; Karilainen, T.; Rog, T.

    2014-01-01

    In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C-60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene...... which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exposure scenarios include a fullerene dust and organic chemical vapor, or a fullerene solution aerosolized in workplace air. Unfiltered and filtered mixtures of C-60 and organic chemicals represent different...... co-exposure scenarios in in vitro studies where acute cytotoxicity and immunotoxicity of C-60 and organic chemicals are tested together and alone by using human THP-1-derived macrophages. Statistically significant co-effects are observed for an unfiltered mixture of benzaldehyde and C-60 that is more...

  12. Production of Endohedral Fullerenes by Ion Implantation

    Energy Technology Data Exchange (ETDEWEB)

    Diener, M.D.; Alford, J. M.; Mirzadeh, S.

    2007-05-31

    derivatizing the radiofullerenes for water-solubility and a method for removing exohedral radionuclides are reported. The methods and chemistry developed during this CRADA are the crucial first steps for the development of fullerenes as a method superior to existing technologies for in vivo transport of radionuclides.

  13. Simulating fullerene ball bearings of ultra-low friction

    International Nuclear Information System (INIS)

    Li Xiaoyan; Yang Wei

    2007-01-01

    We report the direct molecular dynamics simulations for molecular ball bearings composed of fullerene molecules (C 60 and C 20 ) and multi-walled carbon nanotubes. The comparison of friction levels indicates that fullerene ball bearings have extremely low friction (with minimal frictional forces of 5.283 x 10 -7 and 6.768 x 10 -7 nN/atom for C 60 and C 20 bearings) and energy dissipation (lowest dissipation per cycle of 0.013 and 0.016 meV/atom for C 60 and C 20 bearings). A single fullerene inside the ball bearings exhibits various motion statuses of mixed translation and rotation. The influences of the shaft's distortion on the long-ranged potential energy and normal force are discussed. The phonic dissipation mechanism leads to a non-monotonic function between the friction and the load rate for the molecular bearings

  14. Superconductivity in doped fullerenes

    International Nuclear Information System (INIS)

    Hebard, A.F.

    1992-01-01

    While there is not complete agreement on the microscopic mechanism of superconductivity in alkali-metal-doped C 60 , further research may well lead to the production of analogous materials that lose resistance at even higher temperatures. Carbon 60 is a fascinating and arrestingly beautiful molecule. With 12 pentagonal and 20 hexagonal faces symmetrically arrayed in a soccer-ball-like structure that belongs to the icosahedral point group, I h , its high symmetry alone invites special attention. The publication in September 1990 of a simple technique for manufacturing and concentrating macroscopic amounts of this new form of carbon announced to the scientific community that enabling technology had arrived. Macroscopic amounts of C 60 (and the higher fullerenes, such as C 70 and C 84 ) can now be made with an apparatus as simple as an arc furnace powered with an arc welding supply. Accordingly, chemists, physicists and materials scientists have joined forces in an explosion of effort to explore the properties of this unusual molecular building block. 23 refs., 6 figs

  15. Fullerenes: prospects of using in medicine, biology and ecology

    OpenAIRE

    D. V. Schur; Z. Z. Matysina; S. Y. Zaginaichenko; N. P. Botsva; О. V. Elina

    2012-01-01

    Results of our own research and academic literature data on the properties of fullerenes and carbon nanotubes are analysed and summarized. Chemical stability of the structure and low toxicity of fullerenes determine their usage in medical chemistry, pharmacology and cosmetology. Due to its mechanical strength the nanotubes have become the basis of clean construction and barrier materials. It is shown that a matrix based on fullerit C60 can be obtained. It allows to store up to 7.7 wt. % hydro...

  16. Optimizing Conditions for Ultrasound Extraction of Fullerenes from Coal Matrices

    Czech Academy of Sciences Publication Activity Database

    Vítek, P.; Jehlička, J.; Frank, Otakar; Hamplová, Věra; Pokorná, Zdeňka; Juha, Libor; Boháček, J.

    2009-01-01

    Roč. 17, č. 2 (2009), s. 109-122 ISSN 1536-383X R&D Projects: GA ČR GA205/07/0772; GA ČR GA205/03/1468 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z10100520 Keywords : fullerene C60 * Ultrasound -assisted extraction * Extraction yield * Fullerene decomposition Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.710, year: 2009

  17. Degradability of aged aquatic suspensions of C60 nanoparticles

    DEFF Research Database (Denmark)

    Hartmann, B.; Buendia, Inmaculada M.; Baun, Anders

    2011-01-01

    While studies of the potential human and environmental effects of C60 and its derivatives are emerging in the scientific literature, the environmental fate of C60 is still largely unknown. In this study, aged aqueous suspensions of C60 (nC60) were investigated in the respirometric OECD test...... for ready biodegradability. Two suspensions of nC60 were prepared by stirring and aged under indirect exposure to sunlight for 36 months, which resulted in relatively stable suspensions with a dark-brown colour. The suspended nC60 could not be extracted into toluene and indicating that the particles were...... no longer present as underivatised nC60 but had undergone a transformation. TEM images and particle tracking analysis showed that the suspension consisted of particle aggregates with a size of 156 nm (SD=54nm) and 139nm (Sd=49), respectively, but also contained smaller aggregates. Samples of the nC60...

  18. AC/DC electrical conduction and dielectric properties of PMMA/PVAc/C60 down-shifting nanocomposite films

    Science.gov (United States)

    El-Bashir, S. M.; Alwadai, N. M.; AlZayed, N.

    2018-02-01

    Polymer nanocomposite films were prepared by doping fullerene C60 in polymer blend composed of polymethacrylate/polyvinyl acetate blends (PMMA/PVAc) using solution cast technique. The films were characterized by differential scanning calorimeter (DSC), Transmission electron microscope (TEM), DC/AC electrical conductivity and dielectric measurements in the frequency range (100 Hz- 1 MHz). The glass transition temperature, Tg, was increased by increasing the concentration of fullerene C60; this property reflects the increase of thermal stability by increasing the nanofiller content. The DC and AC electrical conductivities were enhanced by increasing C60 concentration due to the electron hopping or tunneling between filled and empty localized states above Tg. The relaxation time was determined from the αβ -relaxations and found to be attenuated by increasing the temperature as a typical behavior of amorphous polymers. The calculated values of thermodynamic parameters revealed the increase of molecular stability by increasing the doping concentration; this feature supports the application of PMMA/PVAc/C60 nanocomposite films in a wide scale of solar energy conversion applications such as luminescent down-shifting (LDS) coatings for photovoltaic cells.

  19. Plasmon-plasmon coupling in nested fullerenes: photoexcitation of interlayer plasmonic cross modes

    International Nuclear Information System (INIS)

    McCune, Mathew A; De, Ruma; Chakraborty, Himadri S; Madjet, Mohamed E; Manson, Steven T

    2011-01-01

    Considering the photoionization of a two-layer fullerene-onion system, C 60 -C 240 , strong plasmonic couplings between the nested fullerenes are demonstrated. The resulting hybridization produces four cross-over plasmons generated from the bonding and antibonding mixing of excited charge clouds of individual fullerenes. This suggests the possibility of designing buckyonions exhibiting plasmon resonances with specified properties and may motivate future research to modify the resonances with encaged atoms, molecules or clusters. (fast track communication)

  20. On the Evaporation Kinetics of [60] Fullerene in Aromatic Organic Solvents

    KAUST Repository

    Amer, Maher S.; Wang, Wenhu; Kollins, Kaitlin N; Altalebi, Hasanain; Schwingenschlö gl, Udo

    2018-01-01

    We investigate the effect of C60 fullerene nanospheres on the evaporation kinetics of a number of aromatic solvents with different levels of molecular association, namely, benzene, toluene, and chlorobenzene. The dependence of the evaporation rate on the fullerene concentration is not monotonic but rather exhibits maxima and minima. The results strongly support the notion of molecular structuring within the liquid solvent controlled by the nature of fullerene/solvent interaction and the level of molecular association within the solvent itself.

  1. On the Evaporation Kinetics of [60] Fullerene in Aromatic Organic Solvents

    KAUST Repository

    Amer, Maher S.

    2018-04-03

    We investigate the effect of C60 fullerene nanospheres on the evaporation kinetics of a number of aromatic solvents with different levels of molecular association, namely, benzene, toluene, and chlorobenzene. The dependence of the evaporation rate on the fullerene concentration is not monotonic but rather exhibits maxima and minima. The results strongly support the notion of molecular structuring within the liquid solvent controlled by the nature of fullerene/solvent interaction and the level of molecular association within the solvent itself.

  2. Simple method for determining fullerene negative ion formation★

    Science.gov (United States)

    Felfli, Zineb; Msezane, Alfred Z.

    2018-04-01

    A robust potential wherein is embedded the crucial core-polarization interaction is used in the Regge-pole methodology to calculate low-energy electron elastic scattering total cross section for the C60 fullerene in the electron impact energy range 0.02 ≤ E ≤ 10.0 eV. The energy position of the characteristic dramatically sharp resonance appearing at the second Ramsauer-Townsend minimum of the total cross section representing stable C60 - fullerene negative ion formation agrees excellently with the measured electron affinity of C60 [Huang et al., J. Chem. Phys. 140, 224315 (2014)]. The benchmarked potential and the Regge-pole methodology are then used to calculate electron elastic scattering total cross sections for selected fullerenes, from C54 through C240. The total cross sections are found to be characterized generally by Ramsauer-Townsend minima, shape resonances and dramatically sharp resonances representing long-lived states of fullerene negative ion formation. For the total cross sections of C70, C76, C78, and C84 the agreement between the energy positions of the very sharp resonances and the measured electron affinities is outstanding. Additionally, we compare our extracted energy positions of the resultant fullerene anions from our calculated total cross sections of the C86, C90 and C92 fullerenes with the estimated electron affinities ≥3.0 eV by the experiment [Boltalina et al., Rapid Commun. Mass Spectrom. 7, 1009 (1993)]. Resonance energy positions of other fullerenes, including C180 and C240 are also obtained. Most of the total cross sections presented in this paper are the first and only; our novel approach is general and should be applicable to other fullerenes as well and complex heavy atoms, such as the lanthanide atoms. We conclude with a remark on the catalytic properties of the fullerenes through their negative ions.

  3. Polymer solar cells based on poly(3-hexylthiophene) and fullerene: Pyrene acceptor systems

    Energy Technology Data Exchange (ETDEWEB)

    Cominetti, Alessandra; Pellegrino, Andrea; Longo, Luca [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Po, Riccardo, E-mail: riccardo.po@eni.com [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Tacca, Alessandra; Carbonera, Chiara; Salvalaggio, Mario [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Baldrighi, Michele; Meille, Stefano Valdo [Dipartimento di Chimica, Materiali e Ingegneria Chimica “G. Natta”, Politecnico di Milano, via Mancinelli 7, IT-20131 Milano (Italy)

    2015-06-01

    The replacement of widely used fullerene derivatives, e.g. [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), with unfunctionalized C60 and C70 is an effective approach to reduce the costs of organic photovoltaics. However, solubility issues of these compounds have always represented an obstacle to their use. In this study, bulk-heterojunction solar cells made of poly(3-hexylthiophene) donor polymer, C60 or C70 acceptors and a pyrene derivative (1-pyrenebutiric acid butyl ester) are reported. Butyl 1-pyrenebutirate limits the aggregation of fullerenes and improves the active layer morphology, plausibly due to the formation of pyrene-fullerene complexes which, in the case of pyrene-C70, were also obtained in a crystalline form. Maximum power conversion efficiencies of 1.54% and 2.50% have been obtained using, respectively, C60 or C70 as acceptor. Quantum mechanical modeling provides additional insight into the formation of plausible supermolecular structures via π-π interactions and on the redox behaviour of pyrene-fullerene systems. - Highlights: • Pyrene derivatives favour the dispersion of unfunctionalized fullerenes. • Polymer solar cells with pyrene: C60 adduct as acceptor have efficiencies of 1.54%. • When C60 is substituted with C70 the efficiency is increased to 2.50%. • DFT calculations support the plausibility of the formation of pyrene: fullerene adducts. • The use of unfunctionalized fullerenes may decrease the costs of polymer solar cells.

  4. First prediction of the direct effect of a confined atom on photoionization of the confining fullerene

    International Nuclear Information System (INIS)

    McCune, Matthew A; De, Ruma; Chakraborty, Himadri S; Madjet, Mohamed E

    2010-01-01

    We predict that the confined atom can qualitatively modify the energetic photoionization of some cage levels, even though these levels are of very dominant fullerene character. The effect imposes strong new oscillations in the cross sections which are forbidden to the ionization of empty fullerenes. Results are presented for the AratC 60 endofullerene compound. (fast track communication)

  5. Fast heavy ion collisions with C60: Collective excitation

    International Nuclear Information System (INIS)

    Kadhane, Umesh; Kelkar, A.H.; Misra, D.; Kumar, Ajay; Tribedi, L.C.

    2006-01-01

    Ionization and fragmentation of C 60 in collision with 5 MeV/μm O 6+ ions are studied using recoil ion ToF method. Relative ionization cross sections up to C 60 4+ are determined. The qualitative trend for different C 60 charge states was compared against simple plasmon excitation model

  6. Water-soluble resorcin[4]arene based cavitands

    NARCIS (Netherlands)

    Grote gansey, M.H.B.; Grote Gansey, Marcel H.B.; Bakker, Frank K.G.; Feiters, Martinus C.; Geurts, Hubertus P.M.; Verboom, Willem; Reinhoudt, David

    1998-01-01

    Water-soluble resorcin[4]arene based cavitands were obtained in good yields by reaction of bromomethylcavitands with pyridine. Their solubility was determined by conductometry. The behaviour in water depends on the alkyl chain length; the methylcavitand does not aggregate, whereas the pentyl- and

  7. Physical and ionic characteristics in water soluble fraction (WSF) of ...

    African Journals Online (AJOL)

    The values of ionic and physical characteristics at 25, 50 and 100% water soluble fraction (WSF) of Olomoro well-head crude oil before and after exposure to Azolla africana were investigated. The WSF values before and after exposure to the plants showed that more ions were available after the introduction of the test plant.

  8. Bioremediation prospects of fungi isolated from water soluble ...

    African Journals Online (AJOL)

    The fungi associated with water soluble fraction (WSF) of crude oil from two different locations were investigated. The samples were collected from Ezibin oil well (Sample A), Okwagbe village in Ughelli South Local Government Area of Delta State and from NPDC laboratory (Sample B) in Benin City, Oredo Local ...

  9. Process for radiation cocrosslinking water soluble polymers and products thereof

    International Nuclear Information System (INIS)

    Assarsson, P.G.; King, P.A.

    1976-01-01

    Poly(ethylene oxide) and at least one other water soluble polymer are conveniently cocrosslinked by exposing aqueous systems of the polymers to high energy irradiation. The resulting products are insoluble hydrophilic gels which can contain or when dried absorb large quantities of aqueous fluids and hence are useful as absorbing media for disposable absorbent articles, agricultural applications and the like

  10. Water-soluble diphosphadiazacyclooctanes as ligands for aqueous organometallic catalysis

    KAUST Repository

    Boulanger, Jérôme

    2012-12-01

    Two new water-soluble diphosphacyclooctanes been synthesized and characterized by NMR and surface tension measurements. Both phosphanes proved to coordinate rhodium in a very selective way as well-defined bidentates were obtained. When used in Rh-catalyzed hydroformylation of terminal alkenes, both ligands positively impacted the reaction chemoselectivity. © 2012 Elsevier B.V.

  11. Determination of Carboxylic Acids and Water-soluble Inorganic Ions ...

    African Journals Online (AJOL)

    Atmospheric aerosol samples of PM2.5 and PM10 were collected in April–May 2011 from a rural site in Tanzania and analyzed for water-soluble inorganic ions and low molecular weight carboxylic acids using ion chromatography. PM2.5 and PM10 low-volume samplers with quartz fibre filters were deployed and aerosol ...

  12. Plasma concentrations of water.soluble vitamins in metabolic ...

    African Journals Online (AJOL)

    Context: Vitamins B1 (thiamine), B3 (niacin), B6 (pyridoxine), and C (ascorbic acid) are vital for energy, carbohydrate, lipid, and amino acid metabolism and in the regulation of the cellular redox state. Some studies have associated low levels of water.soluble vitamins with metabolic syndrome and its various components.

  13. Aggregation and Photophysical Properties of Water-Soluble Sapphyrins

    Czech Academy of Sciences Publication Activity Database

    Kubát, Pavel; Lang, Kamil; Zelinger, Zdeněk; Král, V.

    2004-01-01

    Roč. 395, - (2004), s. 82-86 ISSN 0009-2614 R&D Projects: GA AV ČR KSK4040110 Keywords : water-soluble * sapphyrins * photophysical Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.438, year: 2004

  14. Leaching behavior of water-soluble carbohydrates from almond hulls

    Science.gov (United States)

    Over 58% of the dry matter content of the hulls from the commercial almond (Prunus dulcis (Miller) D.A. Webb) is soluble in warm water (50-70°C) extraction. The water-soluble extractables include useful amounts of fermentable sugars (glucose, fructose, sucrose), sugar alcohols (inositol and sorbito...

  15. Short Communication Relationships between the water solubility of ...

    African Journals Online (AJOL)

    132. Short Communication. Relationships between the water solubility of roughage dry matter and certain chemical characteristics. J.W. Cilliers- and H.J. Cilliers. North West Agricultural Development lnstitute, Private. Bag X804, Potchefstroom, 2520 Republic of South Africa. Received 17 May 1995; accepted 8 August 1995.

  16. Synthesis of water soluble photo-initiators of thioxanthone derivatives

    International Nuclear Information System (INIS)

    Qi Guozhen; Wang Jindi; Lin Yiqing

    1999-01-01

    Eight new photo-initiators of water-soluble thioxanthone derivatives were prepared. These compounds were identified by IR, NMR, MS and elemental analysis etc. The UV absorption wavelength, molar absorption coefficient and fluorescent quantum yield were determined. Furthermore, the relationship between structure and properties was discussed

  17. Synthesis of water soluble photo-initiators of thioxanthone derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Guozhen, Qi; Jindi, Wang; Yiqing, Lin [Inst. of Fine Chemicals ECUST, Shanghai (China)

    1999-07-01

    Eight new photo-initiators of water-soluble thioxanthone derivatives were prepared. These compounds were identified by IR, NMR, MS and elemental analysis etc. The UV absorption wavelength, molar absorption coefficient and fluorescent quantum yield were determined. Furthermore, the relationship between structure and properties was discussed.

  18. Water-soluble diphosphadiazacyclooctanes as ligands for aqueous organometallic catalysis

    KAUST Repository

    Boulanger, Jé rô me; Bricout, Hervé ; Tilloy, Sé bastien; Fihri, Aziz; Len, Christophe; Hapiot, Fré dé ric; Monflier, É ric

    2012-01-01

    Two new water-soluble diphosphacyclooctanes been synthesized and characterized by NMR and surface tension measurements. Both phosphanes proved to coordinate rhodium in a very selective way as well-defined bidentates were obtained. When used in Rh-catalyzed hydroformylation of terminal alkenes, both ligands positively impacted the reaction chemoselectivity. © 2012 Elsevier B.V.

  19. Selective Photooxidation Reactions using Water-Soluble Anthraquinone Photocatalysts

    NARCIS (Netherlands)

    Zhang, W.; Gacs, Jenő; Arends, I.W.C.E.; Hollmann, F.

    2017-01-01

    The aerobic organocatalytic oxidation of alcohols was achieved by using water-soluble sodium anthraquinone sulfonate. Under visible-light activation, this catalyst mediated the aerobic oxidation of alcohols to aldehydes and ketones. The photo-oxyfunctionalization of alkanes was also possible

  20. In vitro and in vivo comparative study of the phototherapy anticancer activity of hyaluronic acid-modified single-walled carbon nanotubes, graphene oxide, and fullerene

    Science.gov (United States)

    Hou, Lin; Yuan, Yujie; Ren, Junxiao; Zhang, Yinling; Wang, Yongchao; Shan, Xiaoning; Liu, Qi; Zhang, Zhenzhong

    2017-08-01

    In this work, carbon nanomaterials, single-walled carbon nanotubes (SWNT), graphene oxide (GO), and fullerene (C60) were modified by hyaluronic acid (HA) to obtain water-soluble and biocompatible nanomaterials with high tumor-targeting capacity and then the comparative study of these hyaluronic acid-modified carbon nanomaterials was made in vitro and in vivo. The conjugates of hyaluronic acid and carbon nanomaterials, namely, HA-SWNT, HA-GO, HA-C60, were confirmed by UV/Vis spectrum, Fourier transform infrared spectroscopy (FTIR), and a transmission electron microscope (TEM). After HA modification, the sizes of HA-SWNT, HA-GO, and HA-C60 were in a range of 70 to 300 nm, and all the three HA-modified materials were at negative potential, demonstrating that HA modification was in favor of extravasation of carbon materials into a tumor site due to enhanced permeability and retention effect of tumor. Photothermal conversion in vitro test demonstrated excellent photothermal sensitivity of HA-SWNT and HA-GO. But the reactive oxygen yield of HA-C60 was the highest compared with the others under visible light irradiation, which proved the good photodynamic therapy effect of HA-C60. In addition, cytotoxicity experiments exhibited that the inhibitory efficacy of HA-SWNT was the lowest, the second was HA-C60, and the highest was HA-GO, which was consistent with the uptake degree of them. While under the laser irradiation, the cell inhibition of the HA-SWNT was the highest, the second was HA-GO, and the last was HA-C60. In vivo evaluation of the three targeting carbon nanomaterials was consistent with the cytotoxicity assay results. Taken together, the results demonstrated that HA-SWNT and HA-GO were suited for photothermal therapy (PTT) agents for their good photothermal property, while HA-C60 was used as a kind of photodynamic therapy (PDT) agent for its photodynamic effect.

  1. Effect of plasma oscillations of C60 collectivized electrons on photoionization of endohedral noble-gas atoms

    International Nuclear Information System (INIS)

    Amusia, M. Ya.; Baltenkov, A. S.

    2006-01-01

    It is demonstrated that outer and inner electron shells, including that formed by collectivized electrons of the fullerene C 60 , affects dramatically the cross section of the subvalent ns subshells of the noble-gas endohedral atoms A-C 60 . The calculations are performed within the framework of a very simple, so-called ''orange skin,'' model that makes it possible, in spite of its simplicity, to take into account the modification of the ns subshell due to its interaction with inner and outer atomic shells, as well as with the collectivized electrons of the C 60 . As a concrete example, we consider the Xe 5s electrons completely collectivized by the powerful action of the Xe close and remote multielectron neighboring shells

  2. Some physicochemical aspects of water-soluble mineral flotation.

    Science.gov (United States)

    Wu, Zhijian; Wang, Xuming; Liu, Haining; Zhang, Huifang; Miller, Jan D

    2016-09-01

    Some physicochemical aspects of water-soluble mineral flotation including hydration phenomena, associations and interactions between collectors, air bubbles, and water-soluble mineral particles are presented. Flotation carried out in saturated salt solutions, and a wide range of collector concentrations for effective flotation of different salts are two basic aspects of water-soluble mineral flotation. Hydration of salt ions, mineral particle surfaces, collector molecules or ions, and collector aggregates play an important role in water-soluble mineral flotation. The adsorption of collectors onto bubble surfaces is suggested to be the precondition for the association of mineral particles with bubbles. The association of collectors with water-soluble minerals is a complicated process, which may include the adsorption of collector molecules or ions onto such surfaces, and/or the attachment of collector precipitates or crystals onto the mineral surfaces. The interactions between the collectors and the minerals include electrostatic and hydrophobic interactions, hydrogen bonding, and specific interactions, with electrostatic and hydrophobic interactions being the common mechanisms. For the association of ionic collectors with minerals with an opposite charge, electrostatic and hydrophobic interactions could have a synergistic effect, with the hydrophobic interactions between the hydrophobic groups of the previously associated collectors and the hydrophobic groups of oncoming collectors being an important attractive force. Association between solid particles and air bubbles is the key to froth flotation, which is affected by hydrophobicity of the mineral particle surfaces, surface charges of mineral particles and bubbles, mineral particle size and shape, temperature, bubble size, etc. The use of a collector together with a frother and the use of mixed surfactants as collectors are suggested to improve flotation. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Charge-associated effects of fullerene derivatives on microbialstructural integrity and central metabolism

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Yinjie J.; Ashcroft, Jared M.; Chen, Ding; Min, Guangwei; Kim, Chul; Murkhejee, Bipasha; Larabell, Carolyn; Keasling, Jay D.; Chen,Fanqing Frank

    2007-01-23

    The effects of four types of fullerene compounds (C60,C60-OH, C60-COOH, C60-NH2) were examined on two model microorganisms(Escherichia coli W3110 and Shewanella oneidensis MR-1). Positivelycharged C60-NH2 at concentrations as low as 10 mg/L inhibited growth andreduced substrate uptake for both microorganisms. Scanning ElectronMicroscopy (SEM) revealed damage to cellular structures.Neutrally-charged C60 and C60-OH had mild negative effects on S.oneidensis MR-1, whereas the negatively-charged C60-COOH did not affecteither microorganism s growth. The effect of fullerene compounds onglobal metabolism was further investigated using [3-13C]L-lactateisotopic labeling, which tracks perturbations to metabolic reaction ratesin bacteria by examining the change in the isotopic labeling pattern inthe resulting metabolites (often amino acids).1-3 The 13C isotopomeranalysis from all fullerene-exposed cultures revealed no significantdifferences in isotopomer distributions from unstressed cells. Thisresult indicates that microbial central metabolism is robust toenvironmental stress inflicted by fullerene nanoparticles. In addition,although C60-NH2 compounds caused mechanical stress on the cell wall ormembrane, both S. oneidensis MR-1 and E. coli W3110 can efficientlyalleviate such stress by cell aggregation and precipitation of the toxicnanoparticles. The results presented here favor the hypothesis thatfullerenes cause more membrane stress4, 5, 6 than perturbation to energymetabolism7

  4. Impact of MoO3 interlayer on the energy level alignment of pentacene-C60 heterostructure.

    Science.gov (United States)

    Zou, Ye; Mao, Hongying; Meng, Qing; Zhu, Daoben

    2016-02-28

    Using in situ ultraviolet photoelectron spectroscopy, the electronic structure evolutions at the interface between pentacene and fullerene (C60), a classical organic donor-acceptor heterostructure in organic electronic devices, on indium-tin oxide (ITO) and MoO3 modified ITO substrates have been investigated. The insertion of a thin layer MoO3 has a significant impact on the interfacial energy level alignment of pentacene-C60 heterostructure. For the deposition of C60 on pentacene, the energy difference between the highest occupied molecular orbital of donor and the lowest unoccupied molecular orbital of acceptor (HOMO(D)-LUMO(A)) offset of C60/pentacene heterostructure increased from 0.86 eV to 1.54 eV after the insertion of a thin layer MoO3 on ITO. In the inverted heterostructrure where pentacene was deposited on C60, the HOMO(D)-LUMO(A) offset of pentacene/C60 heterostructure increased from 1.32 to 2.20 eV after MoO3 modification on ITO. The significant difference of HOMO(D)-LUMO(A) offset shows the feasibility to optimize organic electronic device performance through interfacial engineering approaches, such as the insertion of a thin layer high work function MoO3 films.

  5. Inhibition of thrombin by functionalized C60 nanoparticles revealed via in vitro assays and in silico studies.

    Science.gov (United States)

    Liu, Yanyan; Fu, Jianjie; Pan, Wenxiao; Xue, Qiao; Liu, Xian; Zhang, Aiqian

    2018-01-01

    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 (C 60 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 C 60 NPs with diverse surface chemistry properties. In vitro enzyme activity assays showed that all tested surface-modified C 60 NPs exhibited thrombin inhibition ability. Kinetic studies coupled with competitive testing using 3 known inhibitors indicated that six of the C 60 NPs, of greater hydrophobicity and hydrogen bond (HB) donor acidity or acceptor basicity, acted as competitive inhibitors of thrombin by directly interacting with the active site of thrombin. A simple quantitative nanostructure-activity relationship model relating the surface substituent properties to the inhibition potential was then established for the six competitive inhibitors. Molecular docking analysis revealed that the intermolecular HB interactions were important for the specific binding of C 60 NPs to the active site canyon, while the additional stability provided by the surface groups through van der Waals interaction also play a key role in the thrombin binding affinity of the NPs. Our results suggest that thrombin is a possible target of the surface-functionalized C 60 NPs relevant to their anticoagulation effect. Copyright © 2017. Published by Elsevier B.V.

  6. PREFACE: Fullerene Nano Materials (Symposium of IUMRS-ICA2008)

    Science.gov (United States)

    Miyazawa, Kun'ichi; Fujita, Daisuke; Wakahara, Takatsugu; Kizuka, Tokushi; Matsuishi, Kiyoto; Ochiai, Yuichi; Tachibana, Masaru; Ogata, Hironori; Mashino, Tadahiko; Kumashiro, Ryotaro; Oikawa, Hidetoshi

    2009-07-01

    This volume contains peer-reviewed invited and contributed papers that were presented in Symposium N 'Fullerene Nano Materials' at the IUMRS International Conference in Asia 2008 (IUMRS-ICA 2008), which was held on 9-13 December 2008, at Nagoya Congress Center, Nagoya, Japan. Over twenty years have passed since the discovery of C60 in 1985. The discovery of superconductivity of C60 in 1991 suggested infinite possibilities for fullerenes. On the other hand, a new field of nanocarbon has been developed recently, based on novel functions of the low-dimensional fullerene nanomaterials that include fullerene nanowhiskers, fullerene nanotubes, fullerene nanosheets, chemically modified fullerenes, endohedral fullerenes, thin films of fullerenes and so forth. Electrical, electrochemical, optical, thermal, mechanical and various other properties of fullerene nanomaterials have been investigated and their novel and anomalous nature has been reported. Biological properties of fullerene nanomaterials also have been investigated both in medical applications and toxicity aspects. The recent research developments of fullerene nanomaterials cover a variety of categories owing to their functional diversity. This symposium aimed to review the progress in the state-of-the-art technology based on fullerenes and to offer the forum for active interdisciplinary discussions. 24 oral papers containing 8 invited papers and 22 poster papers were presented at the two-day symposium. Topics on the social acceptance of nanomaterials including fullerene were presented on the first day of the symposium. Biological impacts of nanomaterials and the importance of standardization of nanomaterials characterization were also shown. On the second day, the synthesis, properties, functions and applications of various fullerene nanomaterials were shown in both the oral and poster presentations. We are grateful to all invited speakers and many participants for valuable contributions and active discussions

  7. Mono- and polyadducts of C60 with anthracenes by Diels-Alder-reactions

    International Nuclear Information System (INIS)

    Duarte-Ruiz, A.

    2000-09-01

    This work describes the synthesis and characterization of seven new mono-adducts of 9-methylanthracene, 9,10-dimethylanthracene, 9-bromoanthracene. 2,3,6,7-tetramethylanthracene, 1-methylanthracene, 2,6-di-tert-butylanthracen, as well as 2-methylanthracene to fullerene C60 in solution at r.t. by means of [4+2] Diels-Alder reactions. It could be shown that the mono-adducts with 9-methylanthracene, 9,10-dimethylanthracene, and 1-methylanthracene form the corresponding antipodal bis-adduct 'trans-1' on heating the solid to 180 o C. Furthermore the functionalization of fullerene C60 anthracene mono-adduct (C60C14H10) with anthracene through [4+2] Diels-Alder reactions was investigated which made it possible to separate and to characterize the five possible bis-adducts ('trans-1', 'trans-2', 'trans-3', 'trans-4', and 'e') that can form when the second anthracene adds either 'trans' to the opposite hemisphere (compared to the first addition of anthracene) or to an equatorial position. An exact identification of the bis-adducts 'trans-2' and 'trans-4' could only be acquired with spectroscopic methods, fortunately the bis-adducts 'trans-4', 'trans-3', and 'e' could also be examined by x-ray, thus all five could be fully characterized. No bis-adducts on the same hemisphere ('cis') were found. UV/VIS-spectra of the bis-adducts opened up the possibility to identify other [4+2] Diels-Alder products in the future. It has been noticed that the eluation sequence of the bis-adducts ('trans-1' before 'trans-2' before 'trans-4' before 'trans-3' before 'e') doesn't strictly correlate with the dipole moments. Furthermore six new tris-adducts ('t4t4t2', 't3t3t3', 't3t3t4', 'et3t2', 'et3t4', and 'eee') and one tetra-adduct ('eeet3') were separated and characterized. The tris-adduct 't3t3t3' was additionally characterized by x-ray which showed that the crystal contains only one enatiomer. All bis- and tris-adducts form the antipodal bis-adduct 'trans-1' on heating to 180 o C for 10 min

  8. Quantitative FT-IR Analysis for Chondritic Meteorites: Search for C_60 in Meteorites

    Directory of Open Access Journals (Sweden)

    Chunglee Kim

    1998-06-01

    Full Text Available Infrared absorption spectra of 9 bulk samples and 3 acid residues of meteorites were obtained in the mid-infrared region (4000 ~ 400 cm^(-1. From the known composition of meteorites studied, the possible absorption modes were investigated. Most bands of bulk samples occur in the region below 1200 cm^(-1 and they are due to metallic oxides and silicates. The spectra of each group can be distinguished by its own characteristic bands. Acid residues show very distinct features from their bulk samples, and absorption bands due to organic compounds are not evident in their spectra. Quantitative analyses for two carbonaceous (Allende CV3 and Murchison CM2 and one ordinary (Carraweena L3.9 chondrites were performed for the presence of fullerene (C_60 in the meteorites. We calculated the concentration of C_60 in the acid residues by curvefitting the spectra with Gaussian functions. The upper limit of C_60 concentration in these meteorites appears to be less than an order of a few hundred ppm.

  9. Boron hydride analogues of the fullerenes

    International Nuclear Information System (INIS)

    Quong, A.A.; Pederson, M.R.; Broughton, J.Q.

    1994-01-01

    The BH moiety is isoelectronic with C. We have studied the stability of the (BH) 60 analogue of the C 60 fullerene as well as the dual-structure (BH) 32 icosahedron, both of them being putative structures, by performing local-density-functional electronic calculations. To aid in our analysis, we have also studied other homologues of these systems. We find that the latter, i.e., the dual structure, is the more stable although the former is as stable as one of the latter's lower homologues. Boron hydrides, it seems, naturally form the dual structures used in algorithmic optimization of complex fullerene systems. Fully relaxed geometries are reported as well as electron affinities and effective Hubbard U parameters. These systems form very stable anions and we conclude that a search for BH analogues of the C 60 alkali-metal supeconductors might prove very fruitful

  10. Hybrid gas separation membranes containing star-shaped polystyrene with the fullerene (C60) core

    Czech Academy of Sciences Publication Activity Database

    Pulyalina, A. Y.; Rostovtseva, V. A.; Pientka, Zbyněk; Vinogradova, L. V.; Polotskaya, G. A.

    2018-01-01

    Roč. 58, č. 4 (2018), s. 296-303 ISSN 0965-5441 Institutional support: RVO:61389013 Keywords : gas separation * hybrid membranes * star-shaped macromolecules Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 0.493, year: 2016

  11. In situ EPR spectroelectrochemistry of single-walled carbon nanotubes and C-60 fullerene peapods

    Czech Academy of Sciences Publication Activity Database

    Tarábek, J.; Kavan, Ladislav; Kalbáč, Martin; Rapta, P.; Zukalová, Markéta; Dunsch, L.

    2006-01-01

    Roč. 44, č. 11 (2006), s. 2147-2154 ISSN 0008-6223 R&D Projects: GA AV ČR IAA4040306; GA MŠk LC510 Grant - others:Slovak Grant Agency(SK) VEGA 1/0053/03 Institutional research plan: CEZ:AV0Z40400503 Keywords : carbon nanotubes * electron paramagnetic resonance * electrochemical treatment * reactivity * electronic properties Subject RIV: CG - Electrochemistry Impact factor: 3.884, year: 2006

  12. Fullerene C-60 with cytoprotective and cytotoxic potential : Prospects as a novel treatment agent in Dermatology?

    NARCIS (Netherlands)

    Rondags, Angelica; Yuen, Wing Yan; Jonkman, Marcel F.; Horvath, Barbara

    It is known that an excess amount of (oxygen) radicals in the skin can lead to (local cellular) oxidative stress. From one side, oxidative stress can contribute to the existence of various (inflammatory) skin diseases such as acne vulgaris and alopecia, as well as to accelerated photo-ageing of the

  13. Co-exposure with fullerene may strengthen health effects of organic industrial chemicals.

    Directory of Open Access Journals (Sweden)

    Maili Lehto

    Full Text Available In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exposure scenarios include a fullerene dust and organic chemical vapor, or a fullerene solution aerosolized in workplace air. Unfiltered and filtered mixtures of C60 and organic chemicals represent different co-exposure scenarios in in vitro studies where acute cytotoxicity and immunotoxicity of C60 and organic chemicals are tested together and alone by using human THP-1-derived macrophages. Statistically significant co-effects are observed for an unfiltered mixture of benzaldehyde and C60 that is more cytotoxic than benzaldehyde alone, and for a filtered mixture of m-cresol and C60 that is slightly less cytotoxic than m-cresol. Hydrophobicity of chemicals correlates with co-effects when secretion of pro-inflammatory cytokines IL-1β and TNF-α is considered. Complementary atomistic molecular dynamics simulations reveal that C60 co-aggregates with all chemicals in aqueous environment. Stable aggregates have a fullerene-rich core and a chemical-rich surface layer, and while essentially all C60 molecules aggregate together, a portion of organic molecules remains in water.

  14. Fullerene nanostructure design with cluster ion impacts

    Czech Academy of Sciences Publication Activity Database

    Lavrentiev, Vasyl; Vacík, Jiří; Naramoto, H.; Narumi, K.

    2009-01-01

    Roč. 483, - (2009), s. 479-483 ISSN 0925-8388 R&D Projects: GA AV ČR IAA200480702; GA AV ČR IAA400100701; GA AV ČR(CZ) KAN400480701 Institutional research plan: CEZ:AV0Z10480505 Keywords : fullerene films, clusters C60+ * cluster ion implantation * patterning Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 2.135, year: 2009

  15. INFRARED STUDY OF FULLERENE PLANETARY NEBULAE

    International Nuclear Information System (INIS)

    García-Hernández, D. A.; Acosta-Pulido, J. A.; Manchado, A.; Villaver, E.; García-Lario, P.; Stanghellini, L.; Shaw, R. A.; Cataldo, F.

    2012-01-01

    We present a study of 16 planetary nebulae (PNe) where fullerenes have been detected in their Spitzer Space Telescope spectra. This large sample of objects offers a unique opportunity to test conditions of fullerene formation and survival under different metallicity environments because we are analyzing five sources in our own Galaxy, four in the Large Magellanic Cloud (LMC), and seven in the Small Magellanic Cloud (SMC). Among the 16 PNe studied, we present the first detection of C 60 (and possibly also C 70 ) fullerenes in the PN M 1–60 as well as of the unusual ∼6.6, 9.8, and 20 μm features (attributed to possible planar C 24 ) in the PN K 3–54. Although selection effects in the original samples of PNe observed with Spitzer may play a potentially significant role in the statistics, we find that the detection rate of fullerenes in C-rich PNe increases with decreasing metallicity (∼5% in the Galaxy, ∼20% in the LMC, and ∼44% in the SMC) and we interpret this as a possible consequence of the limited dust processing occurring in Magellanic Cloud (MC) PNe. CLOUDY photoionization modeling matches the observed IR fluxes with central stars that display a rather narrow range in effective temperature (∼30,000-45,000 K), suggesting a common evolutionary status of the objects and similar fullerene formation conditions. Furthermore, the data suggest that fullerene PNe likely evolve from low-mass progenitors and are usually of low excitation. We do not find a metallicity dependence on the estimated fullerene abundances. The observed C 60 intensity ratios in the Galactic sources confirm our previous finding in the MCs that the fullerene emission is not excited by the UV radiation from the central star. CLOUDY models also show that line- and wind-blanketed model atmospheres can explain many of the observed [Ne III]/[Ne II] ratios using photoionization, suggesting that possibly the UV radiation from the central star, and not shocks, is triggering the decomposition

  16. Application of various water soluble polymers in gas hydrate inhibition

    DEFF Research Database (Denmark)

    Kamal, Muhammad Shahzad; Hussein, Ibnelwaleed A.; Sultan, Abdullah S.

    2016-01-01

    . This review presents the various types of water soluble polymers used for hydrate inhibition, including conventional and novel polymeric inhibitors along with their limitations. The review covers the relevant properties of vinyl lactam, amide, dendrimeric, fluorinated, and natural biodegradable polymers....... The factors affecting the performance of these polymers and the structure-property relationships are reviewed. A comprehensive review of the techniques used to evaluate the performance of the polymeric inhibitors is given. This review also addresses recent developments, current and future challenges...

  17. Extraction vitamins of group B water-soluble polymers

    Directory of Open Access Journals (Sweden)

    Y. I. Korenman

    2012-01-01

    Full Text Available General lows of extraction of B vitamins in aquatic environments of the solution of polymers (poly-N-vinylpyrrolidone, poly-N-vinilkaprolaktam has been studied. The influence of polymer concentration and structure on the distribution coefficients and degree of extraction of vitamins has been established. As a result, the direct search of a stable two-phase systems based on water-soluble polymers has been developed effective systems for the extraction of vitamin B from aqueous salt solutions.

  18. Water soluble vitamins and peritoneal dialysis - State of the art.

    Science.gov (United States)

    Jankowska, Magdalena; Lichodziejewska-Niemierko, Monika; Rutkowski, Bolesław; Dębska-Ślizień, Alicja; Małgorzewicz, Sylwia

    2017-12-01

    This review presents the results of a systematic literature search concerning water soluble vitamins and peritoneal dialysis modality. We provide an overview of the data available on vitamin requirements, dietary intake, dialysis related losses, metabolism and the benefits of supplementation. We also summarise the current recommendations concerning the supplementation of vitamins in peritoneal dialysis and discuss the safety of an administration of vitamins in pharmacological doses. Copyright © 2016 Elsevier Ltd and European Society for Clinical Nutrition and Metabolism. All rights reserved.

  19. Fabrication of C60/amorphous carbon superlattice structures

    International Nuclear Information System (INIS)

    Kojima, Nobuaki; Ohshita, Yoshio; Yamaguchi, Masafumi

    2001-01-01

    The nitrogen doping effects in C 60 films by RF plasma source was investigated, and it was found that the nitrogen ion bombardment broke up C 60 molecules and changed them into amorphous carbon. Based on these results, formation of C 60 /amorphous carbon superlattice structure was proposed. The periodic structure of the resulted films was confirmed by XRD measurements, as the preliminary results of fabrication of the superlattice structure

  20. Polyelectrolyte microcapsules for sustained delivery of water-soluble drugs

    Energy Technology Data Exchange (ETDEWEB)

    Anandhakumar, S.; Debapriya, M. [Department of Materials Engineering, Indian Institute of Science, Bangalore, 560012 (India); Nagaraja, V. [Department of Microbiology and Cell Biology, Indian Institute of Science, Bangalore, 560012 (India); Raichur, Ashok M., E-mail: amr@materials.iisc.ernet.in [Department of Materials Engineering, Indian Institute of Science, Bangalore, 560012 (India)

    2011-03-12

    Polyelectrolyte capsules composed of weak polyelectrolytes are introduced as a simple and efficient system for spontaneous encapsulation of low molecular weight water-soluble drugs. Polyelectrolyte capsules were prepared by layer-by-layer (LbL) assembling of weak polyelectrolytes, poly(allylamine hydrochloride) (PAH) and poly(methacrylic acid) (PMA) on polystyrene sulfonate (PSS) doped CaCO{sub 3} particles followed by core removal with ethylene-diaminetetraacetic acid (EDTA). The loading process was observed by confocal laser scanning microscopy (CLSM) using tetramethylrhodamineisothiocyanate labeled dextran (TRITC-dextran) as a fluorescent probe. The intensity of fluorescent probe inside the capsule decreased with increase in cross-linking time. Ciprofloxacin hydrochloride (a model water-soluble drug) was spontaneously deposited into PAH/PMA capsules and their morphological changes were investigated by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The quantitative study of drug loading was also elucidated which showed that drug loading increased with initial drug concentration, but decreased with increase in pH. The loaded drug was released in a sustained manner for 6 h, which could be further extended by cross-linking the capsule wall. The released drug showed significant antibacterial activity against E. coli. These findings indicate that such capsules can be potential carriers for water-soluble drugs in sustained/controlled drug delivery applications.

  1. Polyelectrolyte microcapsules for sustained delivery of water-soluble drugs

    International Nuclear Information System (INIS)

    Anandhakumar, S.; Debapriya, M.; Nagaraja, V.; Raichur, Ashok M.

    2011-01-01

    Polyelectrolyte capsules composed of weak polyelectrolytes are introduced as a simple and efficient system for spontaneous encapsulation of low molecular weight water-soluble drugs. Polyelectrolyte capsules were prepared by layer-by-layer (LbL) assembling of weak polyelectrolytes, poly(allylamine hydrochloride) (PAH) and poly(methacrylic acid) (PMA) on polystyrene sulfonate (PSS) doped CaCO 3 particles followed by core removal with ethylene-diaminetetraacetic acid (EDTA). The loading process was observed by confocal laser scanning microscopy (CLSM) using tetramethylrhodamineisothiocyanate labeled dextran (TRITC-dextran) as a fluorescent probe. The intensity of fluorescent probe inside the capsule decreased with increase in cross-linking time. Ciprofloxacin hydrochloride (a model water-soluble drug) was spontaneously deposited into PAH/PMA capsules and their morphological changes were investigated by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The quantitative study of drug loading was also elucidated which showed that drug loading increased with initial drug concentration, but decreased with increase in pH. The loaded drug was released in a sustained manner for 6 h, which could be further extended by cross-linking the capsule wall. The released drug showed significant antibacterial activity against E. coli. These findings indicate that such capsules can be potential carriers for water-soluble drugs in sustained/controlled drug delivery applications.

  2. Diffraction symmetry in crystalline, close-packed C60

    International Nuclear Information System (INIS)

    Fleming, R.M.; Siegrist, T.; Marsh, P.M.; Hessen, B.; Kortan, A.R.; Murphy, D.W.; Haddon, R.C.; Tycko, R.; Dabbagh, G.; Mujsce, A.M.

    1991-01-01

    The authors have grown crystals of the carbon structure C 60 by sublimation. In contrast to solution-grown crystals, the sublimed crystals have long range order with no evidence of solvent inclusions. Sublimed C 60 forms three dimensional, faceted crystals with a close-packed, face centered cubic unit cell. The authors have refined a crystal structure using the soccer ball model of the C 60 molecule. The results from this paper indicate that the C 60 molecule has the expected spherical shape, however the data are not sufficiently accurate to unambiguously determine atomic positions

  3. Organic light-emitting devices with fullerene/aluminum composite anode

    International Nuclear Information System (INIS)

    Song, Q.L.; Li, C.M.; Wang, M.L.; Sun, X.Y.

    2008-01-01

    Our previous work demonstrates that fullerene/Aluminum (C 60 /Al) can be used as a composite anode in organic solar cells. In this work, we report that an organic light emitting devices (OLEDs) can be made with the C 60 /Al composite anode as well. The OLEDs show comparable current density and brightness to the traditional devices with the indium tin oxide anode

  4. Photodynamics of a constrained parachute-shaped fullerene-porphyrin dyad

    NARCIS (Netherlands)

    Schuster, D.I.; Cheng, P.; Wilson, S.R.; Prokhorenko, V.; Katterle, M.; Holzwarth, A.R.; Braslavsky, S.E.; Klihm, G.; Williams, R.M.

    1999-01-01

    The pronounced ability of fullerene C60 to act as an electron and energy acceptor has led to the synthesis of a large number of compounds in which C60 is covalently linked to photoactivatable groups which can serve as potential donors. Such compounds are of interest as model systems for

  5. Effect of surfactants on the fluorescence spectra of water-soluble ...

    Indian Academy of Sciences (India)

    TECS

    Effect of surfactants on the fluorescence spectra of water-soluble. MEHPPV ... polyacrylic acid (PAA) chains grafted onto their backbone were found to be water soluble, and they exhi- ..... in other words the variation of emission intensity.

  6. Polythiophenes and fullerene derivatives based donor-acceptor system: topography by atomic force microscopy

    International Nuclear Information System (INIS)

    Marcakova, M. L.; Repovsky, D.; Cik, G.; Velic, D.

    2017-01-01

    The goal of this work is to examine the surface of a polythiophene/fullerene film in order to understand the structure. In this work polythiophene is used as electron donor and fullerene-derivative is used as electron acceptor. Atomic force microscopy (AFM), is an ideal method to study surfaces and nanostructures. Surfaces of fullerene C60 , fullerene-derivates PCBM, polythiophene P12 and a mixture of P12 and PCBM are characterized. In all samples, the average roughness, the arithmetical value of divergence from the high of the surface, is determined concluding that P12 and PCBM mix together well and form a film with specific topography. (authors)

  7. The electronic structure of C60 and its derivatives

    International Nuclear Information System (INIS)

    Lichtenberger, D.L.; Rempe, M.E.; Gruhn, N.E.; Wright, L.L.

    1993-01-01

    Molecular orbital calculations are used to examine the electronic structure of C 60 and its interaction with metals and some other atoms. The bonding capabilities of the η 5 , η 6 , and the two possible η 2 sites of C 60 to metals are probed with Fenske-Hall calculations of a silver cation bound in those positions. These results are compared to the bonding capabilities of cyclopentadiene, benzene and ethylene, respectively. It is found that the silver cation bonding to C 60 is favored at the η 2 that is shared between five-membered rings, but that the silver cation bonds more favorably to ethylene than to the η 2 site of C 60 . The electronic structure of the known platinum compound, C 60 Pt(phosphine) 2 , where the bonding is also to this η 2 site, is investigated and compared to the electronic structure of the corresponding ethylene complex. In this more electron-rich metal case, the bonding of the C 60 and ethylene are very similar. A calculation on C 60 OsO 4 (NH 3 ) 2 , where C 60 is bound to two oxygens, shows that the orbital composition correlates with the observed NMR shifts of the carbon atoms. The calculations are used to clarify the interpretations of experimental data obtained from STM, NMR, PES and reactivity. The latest results of these electronic studies will be presented

  8. Synthetic Strategies towards Fullerene-Rich Dendrimer Assemblies

    Directory of Open Access Journals (Sweden)

    Jean-François Nierengarten

    2012-02-01

    Full Text Available The sphere-shaped fullerene has attracted considerable interest not least due to the peculiar electronic properties of this carbon allotrope and the fascinating materials emanating from fullerene-derived structures. The rapid development and tremendous advances in organic chemistry allow nowadays the modification of C60 to a great extent by pure chemical means. It is therefore not surprising that the fullerene moiety has also been part of dendrimers. At the initial stage, fullerenes have been examined at the center of the dendritic structure mainly aimed at possible shielding effects as exerted by the dendritic environment and light-harvesting effects due to multiple chromophores located at the periphery of the dendrimer. In recent years, also many research efforts have been devoted towards fullerene-rich nanohybrids containing multiple C60 units in the branches and/or as surface functional groups. In this review, synthetic efforts towards the construction of dendritic fullerene-rich nanostructures have been compiled and will be summarized herein.

  9. Synthesis of endohedral iron-fullerenes by ion implantation

    International Nuclear Information System (INIS)

    Minezaki, H.; Ishihara, S.; Uchida, T.; Muramatsu, M.; Kitagawa, A.; Rácz, R.; Biri, S.; Asaji, T.; Kato, Y.; Yoshida, Y.

    2014-01-01

    In this paper, we discuss the results of our study of the synthesis of endohedral iron-fullerenes. A low energy Fe + ion beam was irradiated to C 60 thin film by using a deceleration system. Fe + -irradiated C 60 thin film was analyzed by high performance liquid chromatography and laser desorption/ ionization time-of-flight mass spectrometry. We investigated the performance of the deceleration system for using a Fe + beam with low energy. In addition, we attempted to isolate the synthesized material from a Fe + -irradiated C 60 thin film by high performance liquid chromatography

  10. Search for fullerenes in stone meteorites

    Science.gov (United States)

    Oester, M. Y.; Kuechl, D.; Sipiera, P. P.; Welch, C. J.

    1994-07-01

    The possibility of identifying fullerenes in stony meteorites became apparent from a paper given by Radicati de Brozolo. In this paper it was reported that fullerenes were present in the debris resulting from a collision between a micrometeoroid and an orbiting satellite. This fact generated sufficient curiosity to initiate a search for the presence of fullerenes in various stone meteorites. In the present study seven ordinary chondrites (al-Ghanim L6 (find), Dimmitt H4 (find), Lazbuddie LL5 (find), New Concord H5 (fall), Silverton H4 (find), Springlake L6 (find), and Umbarger L3/6 (find)). Four carbonaceous chondrites (ALH 83100 C2 (find), ALH 83108 C30 (find), Allende CV3 (fall), and Murchison CM2 (fall), and one achondrite (Monticello How (find)) were analyzed for the presence of fullerenes. The analytical procedure employed was as follows: 100 mg of meteorite was ground up with a mortar and pestle; 10 mL of toluene was then added and the mixture was refluxed for 90 min; this mixture was then filtered through a short column of silica; a 50 microliter sample was then analyzed by high pressure liquid chromatography (HPLC) using a Buckyclutcher I column with a mobile phase consisting of equal volumes of toluene and hexane at a flow rate of 1.00 mg per minute, with detection at 330 and 600 nm. Three of the meteorites, Allende, Murchison, and al-Ghanim, gave HPLC traces containing peaks with similar retention times to the HPLC trace of an authentic fullerene C60. However, further analysis using an HPLC instrument equipped with a diode-array detector failed to confirm any of the substances detected in the three meteorites as C60. Additional analyses will be conducted to identify what the HPLC traces actually represent.

  11. Preparation and characterization of stable aqueous higher-order fullerenes

    International Nuclear Information System (INIS)

    Aich, Nirupam; Flora, Joseph R V; Saleh, Navid B

    2012-01-01

    Stable aqueous suspensions of nC 60 and individual higher fullerenes, i.e. C 70 , C 76 and C 84 , are prepared by a calorimetric modification of a commonly used liquid–liquid extraction technique. The energy requirement for synthesis of higher fullerenes has been guided by molecular-scale interaction energy calculations. Solubilized fullerenes show crystalline behavior by exhibiting lattice fringes in high resolution transmission electron microscopy images. The fullerene colloidal suspensions thus prepared are stable with a narrow distribution of cluster radii (42.7 ± 0.8 nm, 46.0 ± 14.0 nm, 60 ± 3.2 nm and 56.3 ± 1.1 nm for nC 60 , nC 70 , nC 76 and nC 84 , respectively) as measured by time-resolved dynamic light scattering. The ζ-potential values for all fullerene samples showed negative surface potentials with similar magnitude ( − 38.6 ± 5.8 mV, − 39.1 ± 4.2 mV, − 38.9 ± 5.8 mV and − 41.7 ± 5.1 mV for nC 60 , nC 70 , nC 76 and nC 84 , respectively), which provide electrostatic stability to the colloidal clusters. This energy-based modified solubilization technique to produce stable aqueous fullerenes will likely aid in future studies focusing on better applicability, determination of colloidal properties, and understanding of environmental fate, transport and toxicity of higher-order fullerenes. (paper)

  12. Nanonization strategies for poorly water-soluble drugs.

    Science.gov (United States)

    Chen, Huabing; Khemtong, Chalermchai; Yang, Xiangliang; Chang, Xueling; Gao, Jinming

    2011-04-01

    Poor water solubility for many drugs and drug candidates remains a major obstacle to their development and clinical application. Conventional formulations to improve solubility suffer from low bioavailability and poor pharmacokinetics, with some carriers rendering systemic toxicities (e.g. Cremophor(®) EL). In this review, several major nanonization techniques that seek to overcome these limitations for drug solubilization are presented. Strategies including drug nanocrystals, nanoemulsions and polymeric micelles are reviewed. Finally, perspectives on existing challenges and future opportunities are highlighted. Published by Elsevier Ltd.

  13. Electronic structure of single- and multiple-shell carbon fullerenes

    International Nuclear Information System (INIS)

    Lin, Y.; Nori, F.

    1994-01-01

    We study the electronic states of giant single-shell and the recently discovered nested multiple-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on symmetry, to obtain the π-state energy spectra of large fullerene cages: C 240 , C 540 , C 960 , C 1500 , C 2160 , and C 2940 . Our iteration technique reduces the size of the problem by more than one order of magnitude (factors of ∼12 and 20), while the symmetry-based approach reduces it by a factor of 10. We also find formulas for the highest occupied and lowest unoccupied molecular orbital energies of C 60n 2 fullerenes as a function of n, demonstrating a tendency towards a metallic regime for increasing n. For multiple-shell fullerenes, we analytically obtain the eigenvalues of the intershell interaction

  14. Electrical bistabilities and memory stabilities of nonvolatile bistable devices fabricated utilizing C60 molecules embedded in a polymethyl methacrylate layer

    International Nuclear Information System (INIS)

    Cho, Sung Hwan; Lee, Dong Ik; Jung, Jae Hun; Kim, Tae Whan

    2009-01-01

    Current-voltage (I-V) measurements on Al/fullerene (C 60 ) molecules embedded in polymethyl methacrylate/Al devices at 300 K showed a current bistability due to the existence of the C 60 molecules. The on/off ratio of the current bistability for the memory devices was as large as 10 3 . The retention time of the devices was above 2.5 x 10 4 s at room temperature, and cycling endurance tests on these devices indicated that the ON and OFF currents showed no degradation until 50 000 cycles. Carrier transport mechanisms for the nonvolatile bistable devices are described on the basis of the I-V experimental and fitting results.

  15. Functionalization of [60] fullerene with butadienes: A DFT study

    International Nuclear Information System (INIS)

    Beheshtian, Javad; Peyghan, Ali Ahmadi; Bagheri, Zargham

    2012-01-01

    Highlights: ► Reaction of C 60 with 2,3-dimethylbutadiene (DMB) is theoretically investigated. ► The HOMO of DMB interacts with the LUMO of C 60 via a Diels Alder reaction. ► Work function of C 60 is decreased by increasing the number of DMB molecules. ► The reaction may facilitate the field electron emission from C 60 surface. - Abstract: We have performed a density functional study on the reaction of C 60 fullerene with one to six 2,3-dimethylbutadiene (DMB) molecule(s) which has previously been investigated by experimental researchers. Based on the obtained results, it has been found that (1) the reaction is regioselective, so that the DMB molecule prefers to be adsorbed atop a C-C bond which is shared between two hexagonal rings of C 60 (in good agreement with the experimental results) with reaction energy of −0.98 eV; (2) the HOMO of DMB interacts with the LUMO of C 60 via a Diels Alder reaction; (3) the energy of reaction and work function of C 60 are decreased by increasing the number of adsorbed DMB molecules; (4) the HOMO–LUMO energy gap of C 60 is slightly changed upon the reaction; (5) the reaction reduces the potential barrier of the field electron emission of C 60 surface.

  16. Bioapplication and activity of fullerenol C 60 (OH) | Rade | African ...

    African Journals Online (AJOL)

    In addition, several derivatives have shown immunomodulating, neuroprotective and radioprotective effect. Fullerenes are hydrophobic molecules best dissolved in organic solvents, so potential biomedical applications are restricted by their extremely poor solubility in polar solvents. One of the strategies for improving poor ...

  17. Water-Soluble Vitamin E-Tocopheryl Phosphate.

    Science.gov (United States)

    Zingg, Jean-Marc

    The hydrophobicity of vitamin E poses transport and metabolic challenges to regulate its bioavailability and to prevent its accumulation in lipid-rich tissues such as adipose tissue, brain, and liver. Water-soluble precursors of vitamin E (α-tocopherol, αT), such as its esters with acetate (αTA), succinate (αTS), or phosphate (αTP), have increased solubility in water and stability against reaction with free radicals, but they are rapidly converted during their uptake into the lipid-soluble vitamin E. Therefore, the bioavailability of these precursors as intact molecules is low; nevertheless, at least for αTS and αTP, the recent research has revealed unique regulatory effects on signal transduction and gene expression and the modulation of cellular events ranging from proliferation, survival/apoptosis, lipid uptake and metabolism, phagocytosis, long term potentiation, cell migration, telomere maintenance, and angiogenesis. Moreover, water-soluble derivatives of vitamin E including some based on αTP are increasingly used as components of nanocarriers for enhanced and targeted delivery of drugs and other molecules (vitamins, including αT and αTP itself, vitamin D3, carnosine, caffeine, docosahexaenoic acid (DHA), insulin) and cofactors such as coenzyme Q10. In this review, the chemical characteristics, transport, metabolic pathways, and molecular mechanisms of action of αTP in cells and tissues are summarized and put into perspective with its possible role in the prevention of a number of diseases. © 2018 Elsevier Inc. All rights reserved.

  18. Water-soluble, triflate-based, pyrrolidinium ionic liquids

    International Nuclear Information System (INIS)

    Moreno, M.; Montanino, M.; Carewska, M.; Appetecchi, G.B.; Jeremias, S.; Passerini, S.

    2013-01-01

    Highlights: • Water-soluble, pyrrolidinium triflate ILs as solvents for extraction processes. • Electrolyte components for high safety, electrochemical devices. • Effect of the oxygen atom in the alkyl main side chain of pyrrolidinium cation. -- Abstract: The physicochemical and electrochemical properties of the water-soluble, N-methoxyethyl-N-methylpyrrolidinium trifluoromethanesulfonate (PYR 1(2O1) OSO 2 CF 3 ) ionic liquid (IL) were investigated and compared with those of commercial N-butyl-N-methylpyrrolidinium trifluoromethanesulfonate (PYR 14 OSO 2 CF 3 ). The results have shown that the transport properties are well correlated with the rheological and thermal behavior. The incorporation of an oxygen atom in the pyrrolidinium cation aliphatic side chain resulted in enhanced flexibility of the ether side chain, this supporting for the higher ionic conductivity, self-diffusion coefficient and density of PYR 1(2O1) OSO 2 CF 3 with respect to PYR 14 OSO 2 CF 3 , whereas no relevant effect on the crystallization of the ionic liquid was found. Finally, the presence of the ether side chain material in the pyrrolidinium cation led to a reduction in electrochemical stability, particularly on the cathodic verse

  19. Chelating water-soluble polymers for waste minimization

    International Nuclear Information System (INIS)

    Smith, B.; Cournoyer, M.; Duran, B.; Ford, D.; Gibson, R.; Lin, M.; Meck, A.; Robinson, P.; Robison, T.

    1996-01-01

    Within the DOE complex and in industry there is a tremendous need for advanced metal ion recovery and waste minimization techniques. This project sought to employ capabilities for ligand-design and separations chemistry in which one can develop and evaluate water- soluble chelating polymers for recovering actinides and toxic metals from various process streams. Focus of this work was (1) to develop and select a set of water-soluble polymers suitable for a selected waste stream and (2) demonstrate this technology in 2 areas: removal of (a) actinides and toxic RCRA metals from waste water and (b) recovery of Cu and other precious metals from industrial process streams including from solid catalysts and aqueous waste streams. The R ampersand D was done in 4 phases for each of the 2 target areas: polymer synthesis for scaleup, equipment assembly, process demonstration at a DOE or industrial site, and advanced ligand/polymer synthesis. The TA- 50 site at Los Alamos was thought to be appropriate due to logistics and to its being representative of similar problems throughout the DOE complex

  20. Formation of buckminsterfullerene (C60) in interstellar space

    Science.gov (United States)

    Berné, Olivier; Tielens, Alexander G. G. M.

    2012-01-01

    Buckminsterfullerene (C60) was recently confirmed to be the largest molecule identified in space. However, it remains unclear how, and where this molecule is formed. It is generally believed that C60 is formed from the build up of small carbonaceous compounds, in the hot and dense envelopes of evolved stars. Analyzing infrared observations, obtained by Spitzer and Herschel, we found that C60 is efficiently formed in the tenuous and cold environment of an interstellar cloud illuminated by strong ultraviolet (UV) radiation fields. This implies that another formation pathway, efficient at low densities, must exist. Based on recent laboratory and theoretical studies, we argue that Polycyclic Aromatic Hydrocarbons are converted into graphene, and subsequently C60, under UV irradiation from massive stars. This shows that alternative - top-down - routes are key to understanding the organic inventory in space.

  1. Destruction of C60 films by boron ion bombardment

    International Nuclear Information System (INIS)

    Ren Zhongmin; Du Yuancheng; Ying Zhifeng; Xiong Xiaxing; Li Fuming

    1995-01-01

    C 60 films are bombarded by 100 keV boron ion beams at doses ranging from 3x10 14 to 1x10 16 /cm 2 . The bombarded films are analyzed using Fourier transform infrared spectroscopy (FTIR), Raman spectra and X-ray diffraction (XRD) measurements. Most C 60 soccer-balls in the implanted region in the films are found to be broken at a dose over 1x10 15 /cm 2 , while at a dose less than 6x10 14 /cm 2 a few C 60 molecules remain undestroyed and maintain some crystal structure. The results of the analyses suggest a complete disintegration of a C 60 molecule under B + bombardment. ((orig.))

  2. Enhanced superconductivity of fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Washington, II, Aaron L.; Teprovich, Joseph A.; Zidan, Ragaiy

    2017-06-20

    Methods for enhancing characteristics of superconductive fullerenes and devices incorporating the fullerenes are disclosed. Enhancements can include increase in the critical transition temperature at a constant magnetic field; the existence of a superconducting hysteresis over a changing magnetic field; a decrease in the stabilizing magnetic field required for the onset of superconductivity; and/or an increase in the stability of superconductivity over a large magnetic field. The enhancements can be brought about by transmitting electromagnetic radiation to the superconductive fullerene such that the electromagnetic radiation impinges on the fullerene with an energy that is greater than the band gap of the fullerene.

  3. Fullerene C70 decorated TiO2 nanowires for visible-light-responsive photocatalyst

    International Nuclear Information System (INIS)

    Cho, Er-Chieh; Ciou, Jing-Hao; Zheng, Jia-Huei; Pan, Job; Hsiao, Yu-Sheng; Lee, Kuen-Chan; Huang, Jen-Hsien

    2015-01-01

    Graphical abstract: - Highlights: • TiO 2 nanowire decorated with C 60 and C 70 derivatives has been synthesized. • The fullerenes impede the charge recombination due to its high electron affinity. • The fullerenes expand the utilization of solar light from UV to visible light. • The modified-TiO 2 has great biocompatibility. - Abstract: In this study, we have synthesized C 60 and C 70 -modified TiO 2 nanowire (NW) through interfacial chemical bonding. The results indicate that the fullerenes (C 60 and C 70 derivatives) can act as sinks for photogenerated electrons in TiO 2 , while the fullerene/TiO 2 is illuminated under ultraviolet (UV) light. Therefore, in comparison to the pure TiO 2 NWs, the modified TiO 2 NWs display a higher photocatalytic activity under UV irradiation. Moreover, the fullerenes also can function as a sensitizer to TiO 2 which expand the utilization of solar light from UV to visible light. The results reveal that the C 70 /TiO 2 NWs show a significant photocatalytic activity for degradation of methylene blue (MB) in visible light region. To better understand the mechanism responsible for the effect of fullerenes on the photocatalytic properties of TiO 2 , the electron only devices and photoelectrochemical cells based on fullerenes/TiO 2 are also fabricated and evaluated.

  4. Pronounced low-frequency vibrational thermal transport in C60 fullerite realized through pressure-dependent molecular dynamics simulations

    Science.gov (United States)

    Giri, Ashutosh; Hopkins, Patrick E.

    2017-12-01

    Fullerene condensed-matter solids can possess thermal conductivities below their minimum glassy limit while theorized to be stiffer than diamond when crystallized under pressure. These seemingly disparate extremes in thermal and mechanical properties raise questions into the pressure dependence on the thermal conductivity of C60 fullerite crystals, and how the spectral contributions to vibrational thermal conductivity changes under applied pressure. To answer these questions, we investigate the effect of strain on the thermal conductivity of C60 fullerite crystals via pressure-dependent molecular dynamics simulations under the Green-Kubo formalism. We show that the thermal conductivity increases rapidly with compressive strain, which demonstrates a power-law relationship similar to their stress-strain relationship for the C60 crystals. Calculations of the density of states for the crystals under compressive strains reveal that the librational modes characteristic in the unstrained case are diminished due to densification of the molecular crystal. Over a large compression range (0-20 GPa), the Leibfried-Schlömann equation is shown to adequately describe the pressure dependence of thermal conductivity, suggesting that low-frequency intermolecular vibrations dictate heat flow in the C60 crystals. A spectral decomposition of the thermal conductivity supports this hypothesis.

  5. Passivating ZnO Surface States by C60 Pyrrolidine Tris-Acid for Hybrid Solar Cells Based on Poly(3-hexylthiophene/ZnO Nanorod Arrays

    Directory of Open Access Journals (Sweden)

    Peng Zhong

    2017-12-01

    Full Text Available Construction of ordered electron acceptors is a feasible way to solve the issue of phase separation in polymer solar cells by using vertically-aligned ZnO nanorod arrays (NRAs. However, the inert charge transfer between conducting polymer and ZnO limits the performance enhancement of this type of hybrid solar cells. In this work, a fullerene derivative named C60 pyrrolidine tris-acid is used to modify the interface of ZnO/poly(3-hexylthiophene (P3HT. Results indicate that the C60 modification passivates the surface defects of ZnO and improves its intrinsic fluorescence. The quenching efficiency of P3HT photoluminescence is enhanced upon C60 functionalization, suggesting a more efficient charge transfer occurs across the modified P3HT/ZnO interface. Furthermore, the fullerene modified hybrid solar cell based on P3HT/ZnO NRAs displays substantially-enhanced performance as compared to the unmodified one and the devices with other modifiers, which is contributed to retarded recombination and enhanced exciton separation as evidenced by electrochemical impedance spectra. Therefore, fullerene passivation is a promising method to ameliorate the connection between conjugated polymers and metal oxides, and is applicable in diverse areas, such as solar cells, transistors, and light-emitting dioxides.

  6. Machine Phase Fullerene Nanotechnology: 1996

    Science.gov (United States)

    Globus, Al; Chancellor, Marisa K. (Technical Monitor)

    1997-01-01

    NASA has used exotic materials for spacecraft and experimental aircraft to good effect for many decades. In spite of many advances, transportation to space still costs about $10,000 per pound. Drexler has proposed a hypothetical nanotechnology based on diamond and investigated the properties of such molecular systems. These studies and others suggest enormous potential for aerospace systems. Unfortunately, methods to realize diamonoid nanotechnology are at best highly speculative. Recent computational efforts at NASA Ames Research Center and computation and experiment elsewhere suggest that a nanotechnology of machine phase functionalized fullerenes may be synthetically relatively accessible and of great aerospace interest. Machine phase materials are (hypothetical) materials consisting entirely or in large part of microscopic machines. In a sense, most living matter fits this definition. To begin investigation of fullerene nanotechnology, we used molecular dynamics to study the properties of carbon nanotube based gears and gear/shaft configurations. Experiments on C60 and quantum calculations suggest that benzyne may react with carbon nanotubes to form gear teeth. Han has computationally demonstrated that molecular gears fashioned from (14,0) single-walled carbon nanotubes and benzyne teeth should operate well at 50-100 gigahertz. Results suggest that rotation can be converted to rotating or linear motion, and linear motion may be converted into rotation. Preliminary results suggest that these mechanical systems can be cooled by a helium atmosphere. Furthermore, Deepak has successfully simulated using helical electric fields generated by a laser to power fullerene gears once a positive and negative charge have been added to form a dipole. Even with mechanical motion, cooling, and power; creating a viable nanotechnology requires support structures, computer control, a system architecture, a variety of components, and some approach to manufacture. Additional

  7. Orthorhombic fulleride (CH3NH2)K3C60 close to Mott-Hubbard instability: Ab initio study

    Science.gov (United States)

    Potočnik, Anton; Manini, Nicola; Komelj, Matej; Tosatti, Erio; Arčon, Denis

    2012-08-01

    We study the electronic structure and magnetic interactions in methylamine-intercalated orthorhombic alkali-doped fullerene (CH3NH2)K3C60 within the density functional theory. As in the simpler ammonia intercalated compound (NH3)K3C60, the orthorhombic crystal-field anisotropy Δ lifts the t1u triple degeneracy at the Γ point and drives the system deep into the Mott-insulating phase. However, the computed Δ and conduction electron bandwidth W cannot alone account for the abnormally low experimental Néel temperature, TN=11 K, of the methylamine compound, compared to the much higher value TN=40 K of the ammonia one. Significant interactions between CH3NH2 and C603- are responsible for the stabilization of particular fullerene-cage distortions and the ensuing low-spin S=1/2 state. These interactions also seem to affect the magnetic properties, as interfullerene exchange interactions depend on the relative orientation of deformations of neighboring C603- molecules. For the ferro-orientational order of CH3NH2-K+ groups we find an apparent reduced dimensionality in magnetic exchange interactions, which may explain the suppressed Néel temperature. The disorder in exchange interactions caused by orientational disorder of CH3NH2-K+ groups could further contribute to this suppression.

  8. Lipid nanoparticles for administration of poorly water soluble neuroactive drugs.

    Science.gov (United States)

    Esposito, Elisabetta; Drechsler, Markus; Mariani, Paolo; Carducci, Federica; Servadio, Michela; Melancia, Francesca; Ratano, Patrizia; Campolongo, Patrizia; Trezza, Viviana; Cortesi, Rita; Nastruzzi, Claudio

    2017-09-01

    This study describes the potential of solid lipid nanoparticles and nanostructured lipid carriers as nano-formulations to administer to the central nervous system poorly water soluble drugs. Different neuroactive drugs, i.e. dimethylfumarate, retinyl palmitate, progesterone and the endocannabinoid hydrolysis inhibitor URB597 have been studied. Lipid nanoparticles constituted of tristearin or tristearin in association with gliceryl monoolein were produced. The nanoencapsulation strategy allowed to obtain biocompatible and non-toxic vehicles, able to increase the solubility of the considered neuroactive drugs. To improve URB597 targeting to the brain, stealth nanoparticles were produced modifying the SLN surface with polysorbate 80. A behavioural study was conducted in rats to test the ability of SLN containing URB597 given by intranasal administration to alter behaviours relevant to psychiatric disorders. URB597 maintained its activity after nanoencapsulation, suggesting the possibility to propose this kind of vehicle as alternative to unphysiological mixtures usually employed for animal and clinical studies.

  9. Solubilization of poorly water-soluble drugs using solid dispersions.

    Science.gov (United States)

    Tran, Thao T-D; Tran, Phuong H-L; Khanh, Tran N; Van, Toi V; Lee, Beom-Jin

    2013-08-01

    Many new drugs have been discovered in pharmaceutical industry and exposed their surprised potential therapeutic effects. Unfortunately, these drugs possess low absorption and bioavailability since their solubility limitation in water. Solid dispersion (SD) is the current technique gaining so many attractions from scientists due to its effect on improving solubility and dissolution rate of poorly water-soluble drugs. A number of patents including the most recent inventions have been undertaken in this review to address various respects of this strategy in solubilization of poorly watersoluble drugs including type of carriers, preparation methods and view of technologies used to detect SD properties and mechanisms with the aim to accomplish a SD not only effective on enhanced bioavailability but also overcome difficulties associated with stability and production. Future prospects are as well discussed with an only hope that many developments and researches in this field will be successfully reached and contributed to commercial use for treatment as much as possible.

  10. Catalytic hydrotreating of lignin with water-soluble molybdenum catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Osmaa, A.; Johansson, A. (Technical Research Centre of Finland, Espoo (Finland). Lab. of Fuel and Process Technology)

    High yields (61% of the original lignin) of low molecular weight oil (84% of the oil eluted through GC) have been obtained by hydrotreating kraft pine lignin with a water-soluble molybdenum catalyst at 430[degree]C for 60 min. The main compounds in the product oil were phenols (8.7% of the original lignin), cyclohexanes (5.0%), benzenes (3.8%), naphthalenes (4.0%), and phenanthrenes (1.2%). The degree of hydrodeoxygenation was 98%. The quality (measured by GPC and GC) of the product was as good as when using more expensive solid NiMo-CR[sub 2]O[sub 3] catalysts. 30 refs., 6 tabs.

  11. Formulation of poorly water-soluble Gemfibrozil applying power ultrasound.

    Science.gov (United States)

    Ambrus, R; Naghipour Amirzadi, N; Aigner, Z; Szabó-Révész, P

    2012-03-01

    The dissolution properties of a drug and its release from the dosage form have a basic impact on its bioavailability. Solubility problems are a major challenge for the pharmaceutical industry as concerns the development of new pharmaceutical products. Formulation problems may possibly be overcome by modification of particle size and morphology. The application of power ultrasound is a novel possibility in drug formulation. This article reports on solvent diffusion and melt emulsification, as new methods supplemented with drying in the field of sonocrystallization of poorly water-soluble Gemfibrozil. During thermoanalytical characterization, a modified structure was detected. The specific surface area of the drug was increased following particle size reduction and the poor wettability properties could also be improved. The dissolution rate was therefore significantly increased. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. Lumbar myelography using water-soluble contrast media

    International Nuclear Information System (INIS)

    Langlotz, M.

    1981-01-01

    With the new water-soluble contrast media developed in the last 10 years, lumbar myelography has become a simple and low-risk diagnostic method of great value which is hardly ever omitted before surgery is undertaken. The book attempts a synopsis of radiology and clinical examinations. In its first part, the pathological, clinical, and radiological aspects of diseases of the lumbosacral spinal duct are reviewed. The second part contains more than 300 myelographic pictures in original size. Each of the myelograms is supplemented by the case history of the patient (anamnesis, neurological examination, therapy and course). Interpretation is facilitated by drawings at the beginning of each chapter which show the major pathological and radiological changes. (orig./MG) [de

  13. Preparation of water soluble chitosan by hydrolysis using hydrogen peroxide.

    Science.gov (United States)

    Xia, Zhenqiang; Wu, Shengjun; Chen, Jinhua

    2013-08-01

    Chitosan is not soluble in water, which limits its wide application particularly in the medicine and food industry. In the present study, water soluble chitosan (WSC) was prepared by hydrolyzing chitosan using hydrogen peroxide under the catalysis of phosphotungstic acid in homogeneous phase. Factors affecting hydrolysis were investigated and the optimal hydrolysis conditions were determined. The WSC structure was characterized by Fourier transform infrared spectroscopy. The resulting products were composed of chitooligosaccharides of DP 2-9. The WSC content of the product and the yield were 94.7% and 92.3% (w/w), respectively. The results indicate that WSC can be effectively prepared by hydrolysis of chitosan using hydrogen peroxide under the catalysis of phosphotungstic acid. Copyright © 2013 Elsevier B.V. All rights reserved.

  14. Facile synthesis of water-soluble curcumin nanocrystals

    Directory of Open Access Journals (Sweden)

    Marković Zoran M.

    2015-01-01

    Full Text Available In this paper, facile synthesis of water soluble curcumin nanocrystals is reported. Solvent exchange method was applied to synthesize curcumin nanocrystals. Different techniques were used to characterize the structural and photophysical properties of curcumin nanocrystals. We found that nanocurcumin prepared by this method had good chemical and physical stability, could be stored in the powder form at room temperature, and was freely dispersible in water. It was established that the size of curcumin nanocrystals was varied in the range of 20-500 nm. Fourier transform infrared spectroscopy and UV-Vis analyses showed the presence of tetrahydrofuran inside the curcumin nanocrystals. Also, it was found that nanocurcumin emitted photoluminescencewith yellow-green colour. [Projekat Ministarstva nauke Republike Srbije, br. 172003

  15. Novel water-soluble curcumin derivative mediating erectile signaling.

    Science.gov (United States)

    Abdel Aziz, Mohamed Talaat; El Asmer, Mohammed F; Rezq, Ameen; Kumosani, Taha Abdullah; Mostafa, Samya; Mostafa, Taymour; Atta, Hazem; Abdel Aziz Wassef, Mohamed; Fouad, Hanan H; Rashed, Laila; Sabry, Dina; Hassouna, Amira A; Senbel, Amira; Abdel Aziz, Ahmed

    2010-08-01

    Curcumin is an inducer of heme oxygenase enzyme-1 (HO-1) that is involved in erectile signaling via elevating cyclic guanosine monophosphate (cGMP)levels. To assess the effect of oral administration of a water-soluble long-acting curcumin derivative on erectile signaling. Two hundred and thirty six male white albino rats were divided into four groups; group 1 (N = 20) includes control. Group 2 (N = 72) was equally divided into four subgroups; subgroup 1 received pure curcumin (10 mg/kg), subgroup 2 received the long-acting curcumin derivative (2 mg/kg), subgroup 3 received the long-acting curcumin derivative (10 mg/kg), and subgroup 4 received sildenafil (4 mg/kg). Subgroups were sacrificed after the first, second, and third hour. Group 3 (N = 72) was equally divided into the same four subgroups already mentioned and were sacrificed after 24 hours, 48 hours, and 1 week. Group 4 (N = 72) was subjected to intracavernosal pressure (ICP) measurements 1 hour following oral administration of the same previous doses in the same rat subgroups. Cavernous tissue HO enzyme activity, cGMP, and ICP. In group 2, there was a significant progressive maintained elevation of HO activity and cGMP tissue levels starting from the first hour in subgroups 3 and 4, whereas, the rise in HO activity and cGMP started from second hour regarding the other rat subgroups. Sildenafil effect decreased after 3 hours. In group 3, there was a significant maintained elevation of HO activity and cGMP tissue levels extended to 1 week as compared to controls for all rat subgroups that received both forms of curcumin. In group 4, long-acting curcumin derivative exhibited more significant potentiation of intracavernosal pressure as compared to control and to the pure curcumin. Water-soluble long-acting curcumin derivative could mediate erectile function via upregulating cavernous tissue cGMP. © 2009 International Society for Sexual Medicine.

  16. Spectrofluorimetric determination of some water-soluble vitamins.

    Science.gov (United States)

    Mohamed, Abdel-Maaboud I; Mohamed, Horria A; Abdel-Latif, Niveen M; Mohamed, Marwa R

    2011-01-01

    Two simple and sensitive spectrofluorimetric methods were developed for determination of three water-soluble vitamins (B1, B2, and B6) in mixtures in the presence of cyanocobalamin. The first one was for thiamine determination, which depends on the oxidation of thiamine HCl to thiochrome by iodine in an alkaline medium. The method was applied accurately to determine thiamine in binary, ternary, and quaternary mixtures with pyridoxine HCl, riboflavin, and cyanocobalamin without interference. In the second method, riboflavin and pyridoxine HCl were determined fluorimetrically in acetate buffer, pH 6. The three water-soluble vitamins (B1, B2, and B6) were determined spectrofluorimetrically in binary, ternary, and quaternary mixtures in the presence of cyanocobalamin. All variables were studied in order to optimize the reaction conditions. Linear relationship was obeyed for all studied vitamins by the proposed methods at their corresponding lambda(exc) or lambda(em). The linear calibration curves were obtained from 10 to 500 ng/mL; the correlation ranged from 0.9991 to 0.9999. The suggested procedures were applied to the analysis of the investigated vitamins in their laboratory-prepared mixtures and pharmaceutical dosage forms from different manufacturers. The RSD range was 0.46-1.02%, which indicates good precision. No interference was observed from common pharmaceutical additives. Good recoveries (97.6 +/- 0.7-101.2 +/- 0.8%) were obtained. Statistical comparison of the results with reported methods shows excellent agreement and indicates no significant difference in accuracy and precision.

  17. Interaction-induced light scattering in a fullerene surrounded by an ultrathin argon 'atmosphere': Molecular dynamics simulation

    International Nuclear Information System (INIS)

    Dawid, A.; Gburski, Z.

    2003-01-01

    Using the molecular dynamics method, we have calculated the interaction-induced polarizability correlation functions and spectra of the depolarized light scattering in a C 60 fullerene molecule surrounded by an argon atmosphere. The liquid phase of (C 60 )Ar n (n=36, 40, 44) system has been studied

  18. Effective intermolecular potential and critical point for C60 molecule

    Science.gov (United States)

    Ramos, J. Eloy

    2017-07-01

    The approximate nonconformal (ANC) theory is applied to the C60 molecule. A new binary potential function is developed for C60, which has three parameters only and is obtained by averaging the site-site carbon interactions on the surface of two C60 molecules. It is shown that the C60 molecule follows, to a good approximation, the corresponding states principle with n-C8H18, n-C4F10 and n-C5F12. The critical point of C60 is estimated in two ways: first by applying the corresponding states principle under the framework of the ANC theory, and then by using previous computer simulations. The critical parameters obtained by applying the corresponding states principle, although very different from those reported in the literature, are consistent with the previous results of the ANC theory. It is shown that the Girifalco potential does not correspond to an average of the site-site carbon-carbon interaction.

  19. Novel micellar systems for the formulation of poorly water soluble drugs : biocompatibility aspects and pharmaceutical applications

    OpenAIRE

    Dumontet Mondon, Karine

    2010-01-01

    Amongst the large number of novel drugs, 95% are lipophilic and poorly water soluble. Particularly, this renders their aqueous formulation very difficult. In this regard this thesis focused on polymeric micelles based on novel MPEG-hexPLA copolymers forming a hydrophilic shell and a very hydrophobic core that favors the incorporation of poorly water soluble drugs. Although the drug hydrophobicity and water solubility are the main parameters in respect to their incorporation efficiency, struct...

  20. DC Characterisation of C60 Whiskers and Nanowhiskers

    DEFF Research Database (Denmark)

    Larsson, Michael; Kjelstrup-Hansen, Jakob; Lucyszyn, Stepan

    2007-01-01

    C60 whiskers exhibit increasing conductivity with decreasing diameter. At diameters of 1 mm and below, a single-crystal structure predominates, and enhanced electrical characteristics are expected; however, no supporting data exists in the literature. Here, results of four-point probe measurements......, indicating strong potential for use in organic electronic applications of the future. Repeated current cycling in air is observed to promote sample degradation, possibly due to progressive oxidation of the carbon structure. A micromachined four-point probe is also used to try to establish non...... on C60 whiskers and nanowhiskers with diameters in the range 650 nm to 1.3 mm are reported for the first time. Samples are attached to pre-patterned planar and raised electrodes using FIB-deposited tungsten. A low resistivity of 3 Wcm is measured in air, on a C60 whisker having a diameter of 650 nm...

  1. C60 as an Atom Trap to Capture Co Adatoms

    DEFF Research Database (Denmark)

    Yang, Peng; Li, Dongzhe; Repain, Vincent

    2015-01-01

    C60 molecules were used to trap Co adatoms and clusters on a Au(111) surface using atomic/molecular manipulation with a scanning tunneling microscope. Two manipulation pathways (successive integration of single Co atoms in one molecule or direct integration of a Co cluster) were found...... to efficiently allow the formation of complexes mixing a C60 molecule with Co atoms. Scanning tunneling spectroscopy reveals the robustness of the pi states of C60 that are preserved after Co trapping. Scanning tunneling microscopy images and density functional theory calculations reveal that dissociated Co...... clusters of up to nine atoms can be formed at the molecule-substrate interface. These results open new perspectives in the interactions between metal adatoms and molecules, for applications in metal-organic devices...

  2. Nucleation of C60 on ultrathin SiO2

    Science.gov (United States)

    Conrad, Brad; Groce, Michelle; Cullen, William; Pimpinelli, Alberto; Williams, Ellen; Einstein, Ted

    2012-02-01

    We utilize scanning tunneling microscopy to characterize the nucleation, growth, and morphology of C60 on ultrathin SiO2 grown at room temperature. C60 thin films are deposited in situ by physical vapor deposition with thicknesses varying from <0.05 to ˜1 ML. Island size and capture zone distributions are examined for a varied flux rate and substrate deposition temperature. The C60 critical nucleus size is observed to change between monomers and dimers non-monotonically from 300 K to 500 K. Results will be discussed in terms of recent capture zone studies and analysis methods. Relation to device fabrication will be discussed. doi:10.1016/j.susc.2011.08.020

  3. CuPc/C60 heterojunction thin film optoelectronic devices

    International Nuclear Information System (INIS)

    Murtaza, Imran; Karimov, Khasan S.; Qazi, Ibrahim

    2010-01-01

    The optoelectronic properties of heterojunction thin film devices with ITO/CuPc/C 60 /Al structure have been investigated by analyzing their current-voltage characteristics, optical absorption and photocurrent. In this organic photovoltaic device, CuPc acts as an optically active layer, C 60 as an electron-transporting layer and ITO and Al as electrodes. It is observed that, under illumination, excitons are formed, which subsequently drift towards the interface with C 60 , where an internal electric field is present. The excitons that reach the interface are subsequently dissociated into free charge carriers due to the electric field present at the interface. The experimental results show that in this device the total current density is a function of injected carriers at the electrode-organic semiconductor surface, the leakage current through the organic layer and collected photogenerated current that results from the effective dissociation of excitons. (semiconductor devices)

  4. Electronically excited C 2 from laser photodissociated C 60

    Science.gov (United States)

    Arepalli, S.; Scott, C. D.; Nikolaev, P.; Smalley, R. E.

    2000-03-01

    Spectral and transient emission measurements are made of radiation from products of laser excitation of buckminsterfullerene (C 60) vapor diluted in argon at 973 K. The principal radiation is from the Swan band system of C 2 and, at early times, also from a black-body continuum. Transient measurements indicate two characteristic periods of decay 2 and 50 μs long, with characteristic decay times of ˜0.3 and 5 μs, respectively. The first period is thought to be associated with decomposition and radiative cooling of C 60 molecules or nano-sized carbon particles and the second period continues with decomposition products of laser excited C 60, C 58, C 56, etc.

  5. Effect of heavy ion irradiation on C 60

    Science.gov (United States)

    Lotha, S.; Ingale, A.; Avasthi, D. K.; Mittal, V. K.; Mishra, S.; Rustagi, K. C.; Gupta, A.; Kulkarni, V. N.; Khathing, D. T.

    1999-06-01

    Thin films of C 60 were subjected to swift heavy ion irradiation spanning the region from 2 to 11 keV/nm of electronic excitation. Studies of the irradiated films by Raman spectroscopy indicated polymerization and damage of the film with an ion fluence. The ion track radii are estimated for various ions using the Raman data. Photoluminescence spectroscopy of the irradiated film indicated a decrease in the C 60 phase with a dose, and an increase in the intensity at the 590 nm wavelength, which is attributed to an increase in the oxygen content.

  6. Laser-assisted deposition of thin C60 films

    DEFF Research Database (Denmark)

    Schou, Jørgen; Canulescu, Stela; Fæster, Søren

    Metal and metal oxide films with controlled thickness from a fraction of a monolayer up more than 1000 nm and known stoichiometry can be produced by pulsed laser deposition (PLD) relatively easily, and (PLD) is now a standard technique in all major research laboratories within materials science...... of the matrix material, anisole, with a concentration of 0.67 wt% C60. At laser fluences below 1.5 J/cm2, a dominant fraction of the film molecules are C60 transferred to the substrate without any fragmentation. High-resolution SEM images of MAPLE deposited films reveal large circular features on the surface...

  7. Deposition of matrix-free fullerene films with improved morphology by matrix-assisted pulsed laser evaporation (MAPLE)

    DEFF Research Database (Denmark)

    Canulescu, Stela; Schou, Jørgen; Fæster, Søren

    2013-01-01

    Thin films of C60 were deposited by matrix-assisted pulsed laser evaporation (MAPLE) from a frozen target of anisole with 0.67 wt% C60. Above a fluence of 1.5 J/cm2 the C60 films are strongly non-uniform and are resulting from transfer of matrix-droplets containing fullerenes. At low fluence...... the fullerene molecules in the films are intact, the surface morphology is substantially improved and there are no measurable traces of the matrix molecules in the film. This may indicate a regime of dominant evaporation at low fluence which merges into the MAPLE regime of liquid ejection of the host matrix...

  8. The topology of fullerenes

    DEFF Research Database (Denmark)

    Schwerdtfeger, Peter; Wirz, Lukas; Avery, James Emil

    2014-01-01

    Fullerenes are carbon molecules that form polyhedral cages. Their bond structures are exactly the planar cubic graphs that have only pentagon and hexagon faces. Strikingly, a number of chemical properties of a fullerene can be derived from its graph structure. A rich mathematics of cubic planar g....... In this paper, we present a general overview of recent topological and graph theoretical developments in fullerene research over the past two decades, describing both solved and open problems....

  9. Effect of С(60 fullerene on metabolic and proliferative activity of PKE cell line

    Directory of Open Access Journals (Sweden)

    I. V. Belochkina

    2014-04-01

    Full Text Available The effect of С60 fullerene aqueous colloid solution (C60FAS on activity of redox and proliferative processes in PKE (transplantable cell line of pig kidney embryo cells has been studied. In particular, it was established that the presence of С60 fullerene (127 μМ in culturing medium of PKE cells during 48 h did not change their ability to reduce non-toxic АlamarBlue redox indicator and proliferative acti­vity.

  10. Modification of the Xe 4d giant resonance by the C60 shell in molecular Xe at C60

    International Nuclear Information System (INIS)

    Amusia, M. Ya.; Baltenkov, A. S.; Chernysheva, L. V.; Felfli, Z.; Msezane, A. Z.

    2006-01-01

    It is demonstrated that in photoabsorption of the 4d 10 subshell of a Xe atom in molecular Xe at C 60 , the 4d giant resonance that characterizes the isolated Xe atom is distorted significantly. The reflection of photoelectron waves by the C 60 shell leads to profound oscillations in the photoionization cross section such that the Xe giant resonance is transformed into four strong peaks. Similarly, the angular anisotropy parameters, both dipole and nondipole, are also modified. The method of calculation is based on the approximation of the C 60 shell by an infinitely thin bubble potential that leaves the sum rule for the 4d-electrons almost unaffected, but noticeably modifies the dipole polarizability of the 4d-shell

  11. [Emission Characteristics of Water-Soluble Ions in Fumes of Coal Fired Boilers in Beijing].

    Science.gov (United States)

    Hu, Yue-qi; Ma, Zhao-hui; Feng, Ya-jun; Wang, Chen; Chen, Yuan-yuan; He, Ming

    2015-06-01

    Selecting coal fired boilers with typical flue gas desulfurization and dust extraction systems in Beijing as the study objects, the issues and characteristics of the water-soluble ions in fumes of coal fired boilers and theirs influence factors were analyzed and evaluated. The maximum mass concentration of total water-soluble ions in fumes of coal fired boilers in Beijing was 51.240 mg x m(-3) in the benchmark fume oxygen content, the minimum was 7.186 mg x m(-3), and the issues of the water-soluble ions were uncorrelated with the fume moisture content. SO4(2-) was the primary characteristic water-soluble ion for desulfurization reaction, and the rate of contribution of SO4(2-) in total water-soluble ions ranged from 63.8% to 81.0%. F- was another characteristic water-soluble ion in fumes of thermal power plant, and the rate of contribution of F- in total water-soluble ions ranged from 22.2% to 32.5%. The fume purification technologies significantly influenced the issues and the emission characteristics of water-soluble ions in fumes of coal fired boilers. Na+ was a characteristic water-soluble ion for the desulfurizer NaOH, NH4+ and NO3+ were characteristic for the desulfurizer NH4HCO3, and Mg2+ was characteristic for the desulfurizer MgO, but the Ca2+ emission was not increased by addition of the desulfurizer CaO or CaCO3 The concentrations of NH4+ and NO3- in fumes of thermal power plant were lower than those in fumes of industrial or heating coal fired boilers. The form of water-soluble ions was significantly correlated with fume temperature. The most water-soluble ions were in superfine state at higher fume temperature and were not easily captured by the filter membrane.

  12. Free-energy coarse-grained potential for C60

    International Nuclear Information System (INIS)

    Edmunds, D. M.; Tangney, P.; Vvedensky, D. D.; Foulkes, W. M. C.

    2015-01-01

    We propose a new deformable free energy method for generating a free-energy coarse-graining potential for C 60 . Potentials generated from this approach exhibit a strong temperature dependence and produce excellent agreement with benchmark fully atomistic molecular dynamics simulations. Parameter sets for analytical fits to this potential are provided at four different temperatures

  13. Preparation of photovoltaic cells from sexithiophene-C-60 blends

    NARCIS (Netherlands)

    Veenstra, SC; Malliaras, GG; Brouwer, HJ; Esselink, FJ; Krasnikov, VV; vanHutten, PF; Wildeman, J; Jonkman, HT; Sawatzky, GA; Hadziioannou, G; Mohlmann, GR

    1996-01-01

    Large photovoltaic responses have been recently observed in devices based on conjugated polymer-C-60 blends. Their enhanced performance, which relies on the formation of a bicontinuous network of donor-acceptor heterojunctions, is very sensitive to the morphology of the blend. In this paper, we

  14. Atomic nitrogen encapsulated in fullerenes: realization of a chemical Faraday cage

    International Nuclear Information System (INIS)

    Lips, K.

    2000-01-01

    Fullerenes, C 60 and C 70 , are ideal containers for atomic nitrogen. We will show by electron paramagnetic resonance (EPR) experiments that nitrogen in C 60 keeps its atomic ground state configuration and resides in the center of the cage. This is the first time that atomic nitrogen is stabilized at ambient conditions. The inert shell of the fullerene protects the highly reactive nitrogen from undergoing chemical reactions with the surroundings. The fullerene cage is the chemical analogue of the Faraday cage in case of electrical fields, i.e. it shields off the chemical reactivity. As for the free nitrogen atom, the spins of the three p-electrons of nitrogen in C 60 are parallel (S = 3/2) and the atom has spherical symmetry. Due to the center position of nitrogen in C 60 , extremely sharp EPR lines are observed. This reflects the absence of a strong host-guest interaction and shows that the individuality of nitrogen in the fullerenes is preserved. Further evidence for the almost interaction-free suspension of nitrogen in the fullerene cages is provided by g-factor measurements. These investigations show that magnetic shielding of the host molecules can account for the observed differences between N rate at C 60 and N rate at C 70 . The fullerene cage can be chemically modified without destroying the endohedral complex. The chemical modifications change the symmetry of the molecule which is observed through an additional fine structure in the EPR spectrum. Influences of the modifications on the stability of N rate at C 60 will be discussed. (orig.)

  15. Impact of fog processing on water soluble organic aerosols.

    Science.gov (United States)

    Tripathi, S. N.; Chakraborty, A.; Gupta, T.

    2017-12-01

    Fog is a natural meteorological phenomenon that occurs all around the world, and contains a substantial quantity of liquid water. Fog is generally seen as a natural cleansing agent but can also form secondary organic aerosols (SOA) via aqueous processing of ambient organics. Few field studies have reported elevated O/C ratio and SOA mass during or after fog events. However, mechanism behind aqueous SOA formation and its contribution to total organic aerosols (OA) still remains unclear. In this study we have tried to explore the impact of fog/aqueous processing on the characteristics of water soluble organic aerosols (WSOC), which to our knowledge has not been studied before. To assess this, both online (using HR-ToF-AMS) and offline (using a medium volume PM2.5 sampler and quartz filter) aerosol sampling were carried out at Kanpur, India from 15 December 2014 - 10 February 2015. Further, offline analysis of the aqueous extracts of the collected filters were carried out by AMS to characterize the water soluble OA (WSOA). Several (17) fog events occurred during the campaign and high concentrations of OA (151 ± 68 µg/m3) and WSOA (47 ± 19 µg/m3) were observed. WSOA/OA ratios were similar during fog (0.36 ± 0.14) and nofog (0.34 ± 0.15) periods. WSOA concentrations were also similar (slightly higher) during foggy (49 ± 18 µg/m3) and non-foggy periods (46 ± 20 µg/m3), in spite of fog scavenging. However, WSOA was more oxidized during foggy period (average O/C = 0.81) than non foggy periods (average O/C = 0.70). Like WSOA, OA was also more oxidized during foggy periods (average O/C = 0.64) than non foggy periods (average O/C = 0.53). During fog, WSOA to WIOA (water insoluble OA) ratios were higher (0.65 ± 0.16) compared to non foggy periods (0.56 ± 0.15). These observations clearly showed that WSOA become more dominant and processed during fog events, possibly due to the presence of fog droplets. This study highlights that fog processing of soluble organics

  16. C60 and Sc3N@C80(TMB-PPO derivatives as constituents of singlet oxygen generating, thiol-ene polymer nanocomposites

    Directory of Open Access Journals (Sweden)

    Ashli R. Toles

    2016-07-01

    Full Text Available Numerous functionalization methods have been employed to increase the solubility, and therefore, the processability of fullerenes in composite structures, and of these radical addition reactions continue to be an important methodology. C60 and Sc3N@C80 derivatives were prepared via radical addition of the photodecomposition products from the commercial photoinitiator TMB-PPO, yielding C60(TMB-PPO5 and Sc3N@C80(TMB-PPO3 as preferred soluble derivatives obtained in high yields. Characterization of the mixture of isomers using standard techniques suggests an overall 1PPO:6TMB ratio of addends, reflecting the increased reactivity of the carbon radical. Although, a higher percentage of PPO is observed in the Sc3N@C80(TMB-PPO3 population, perhaps due to reverse electronic requirements of the substrate. Visually dispersed thiol-ene nanocomposites with low extractables were prepared using two monomer compositions (PETMP:TTT and TMPMP:TMPDE with increasing fullerene derivative loading to probe network structure-property relationships. Thermal stability of the derivatives and the resulting networks decreased with increased functionality and at high fullerene loadings, respectively. TMPMP:TMPDE composite networks show well-dispersed derivatives via TEM imaging, and increasing Tg’s with fullerene loading, as expected for the incorporation of a more rigid network component. PETMP:TTT composites show phase separation in TEM, which is supported by the observed Tg’s. Singlet oxygen generation of the derivatives decreases with increased functionality; however, this is compensated for by the tremendous increase in solubility in organic solvents and miscibility with monomers. Most importantly, singlet oxygen generation from the composites increased with fullerene derivative loading, with good photostability of the networks.

  17. Electronic structure evolution and energy level alignment at C60/4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl) benzenamine]/MoOx/indium tin oxide interfaces

    Science.gov (United States)

    Liu, Xiaoliang; Yi, Shijuan; Wang, Chenggong; Wang, Congcong; Gao, Yongli

    2014-04-01

    The electronic structure evolution and energy level alignment have been investigated at interfaces comprising fullerene (C60)/4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl) benzenamine] (TAPC)/ molybdenum oxide (MoOx)/ indium tin oxide with ultraviolet photoemission spectroscopy and inverse photoemission spectroscopy. With deposition of TAPC upon MoOx, a dipole of 1.58 eV was formed at the TAPC/MoOx interface due to electron transfer from TAPC to MoOx. The highest occupied molecular orbital (HOMO) onset of TAPC was pinned closed to the Fermi level, leading to a p-doped region and thus increasing the carrier concentration at the very interface. The downward band bending and the resulting built-in field in TAPC were favorable for the hole transfer toward the TAPC/MoOx interface. The rigid downward shift of energy levels of TAPC indicated no significant interface chemistry at the interface. With subsequent deposition of C60 on TAPC, a dipole of 0.27 eV was observed at the C60/TAPC heterojunction due to the electron transfer from TAPC to C60. This led to a drop of the HOMO of TAPC near the C60/TAPC interface, and hence further enhanced the band bending in TAPC. The band bending behavior was also observed in C60, similarly creating a built-in field in C60 film and improving the electron transfer away from the C60/TAPC interface. It can be deduced from the interface analysis that a promising maximum open circuit voltage of 1.5 eV is achievable in C60/TAPC-based organic photovoltaic cells.

  18. Packing and Disorder in Substituted Fullerenes

    KAUST Repository

    Tummala, Naga Rajesh

    2016-07-15

    Fullerenes are ubiquitous as electron-acceptor and electron-transport materials in organic solar cells. Recent synthetic strategies to improve the solubility and electronic characteristics of these molecules have translated into a tremendous increase in the variety of derivatives employed in these applications. Here, we use molecular dynamics (MD) simulations to examine the impact of going from mono-adducts to bis- and tris-adducts on the structural, cohesive, and packing characteristics of [6,6]-phenyl-C60-butyric acid methyl ester (PCBM) and indene-C60. The packing configurations obtained at the MD level then serve as input for density functional theory calculations that examine the solid-state energetic disorder (distribution of site energies) as a function of chemical substitution. The variations in structural and site-energy disorders reflect the fundamental materials differences among the derivatives and impact the performance of these materials in thin-film electronic devices.

  19. Formation and properties of electroactive fullerene based films with a covalently attached ferrocenyl redox probe

    International Nuclear Information System (INIS)

    Wysocka-Zolopa, Monika; Winkler, Krzysztof; Caballero, Ruben; Langa, Fernando

    2011-01-01

    Highlights: → Formation of redox active films of ferrocene derivatives of C 60 and palladium. → Fullerene moieties are covalently bonded to palladium atoms to form a polymeric network. → Electrochemical activity at both positive and negative potentials. → Charge transfer processes accompanied by transport of supporting electrolyte to and from the polymer layers. - Abstract: Redox active films have been produced via electrochemical reduction in a solution containing palladium(II) acetate and ferrocene derivatives of C 60 (Fc-C 60 and bis-Fc-C 60 ). In these films, fullerene moieties are covalently bonded to palladium atoms to form a polymeric network. Fc-C 60 /Pd and bis-Fc-C 60 /Pd films form uniform and relatively smooth layers on the electrode surface. These films are electrochemically active in both the positive and negative potential regions. At negative potentials, reduction of fullerene moiety takes place resulting in voltammetric behavior resembles typical of conducting polymers. In the positive potential range, oxidation of ferrocene is responsible for the formation of a sharp and symmetrical peak on the voltammograms. In this potential range, studied films behave as typical redox polymers. The charge associated with the oxidation process depends on the number of ferrocene units attached to the C 60 moiety. Oxidation and reduction of these redox active films are accompanied by transport of supporting electrolyte to and from the polymer layer. Films also show a higher permeability to anions than to cations.

  20. Fullerene hydride - A potential hydrogen storage material

    International Nuclear Information System (INIS)

    Nai Xing Wang; Jun Ping Zhang; An Guang Yu; Yun Xu Yang; Wu Wei Wang; Rui long Sheng; Jia Zhao

    2005-01-01

    Hydrogen, as a clean, convenient, versatile fuel source, is considered to be an ideal energy carrier in the foreseeable future. Hydrogen storage must be solved in using of hydrogen energy. To date, much effort has been put into storage of hydrogen including physical storage via compression or liquefaction, chemical storage in hydrogen carriers, metal hydrides and gas-on-solid adsorption. But no one satisfies all of the efficiency, size, weight, cost and safety requirements for transportation or utility use. C 60 H 36 , firstly synthesized by the method of the Birch reduction, was loaded with 4.8 wt% hydrogen indicating [60]fullerene might be as a potential hydrogen storage material. If a 100% conversion of C 60 H 36 is achieved, 18 moles of H 2 gas would be liberated from each mole of fullerene hydride. Pure C 60 H 36 is very stable below 500 C under nitrogen atmosphere and it releases hydrogen accompanying by other hydrocarbons under high temperature. But C 60 H 36 can be decomposed to generate H 2 under effective catalyst. We have reported that hydrogen can be produced catalytically from C 60 H 36 by Vasks's compound (IrCl(CO)(PPh 3 ) 2 ) under mild conditions. (RhCl(CO)(PPh 3 ) 2 ) having similar structure to (IrCl(CO)(PPh 3 ) 2 ), was also examined for thermal dehydrogenation of C 60 H 36 ; but it showed low catalytic activity. To search better catalyst, palladium carbon (Pd/C) and platinum carbon (Pt/C) catalysts, which were known for catalytic hydrogenation of aromatic compounds, were tried and good results were obtained. A very big peak of hydrogen appeared at δ=5.2 ppm in 1 H NMR spectrum based on Evans'work (fig 1) at 100 C over a Pd/C catalyst for 16 hours. It is shown that hydrogen can be produced from C 60 H 36 using a catalytic amount of Pd/C. Comparing with Pd/C, Pt/C catalyst showed lower activity. The high cost and limited availability of Vaska's compounds, Pd and Pt make it advantageous to develop less expensive catalysts for our process based on

  1. Electronic transport properties aspects and structure of polymer-fullerene based organic semiconductors for photovoltaic devices

    International Nuclear Information System (INIS)

    Adamopoulos, G.; Heiser, T.; Giovanella, U.; Ould-Saad, S.; Wetering, K.I. van de; Brochon, C.; Zorba, T.; Paraskevopoulos, K.M.; Hadziioannou, G.

    2006-01-01

    A series of polystyrene (PS) and fullerene (C 60 ) based thin films containing from 23 to 60 wt.% in fullerene were investigated. Initially, the films were characterised by Fourier Transform Infrared Spectroscopy (FTIR) spectroscopy where the characteristic absorption bands of both the fullerene and the polystyrene were revealed. The additional characteristic absorption bands due the grafted fullerene to polystyrene were revealed as well. The relative peak intensities provided with qualitative information of the films stoichiometry in terms of the fullerene's amount that was grafted to polystyrene. The optical properties of the films were investigated by spectroscopic ellipsometry (SE). It was found that the increase of the fullerene's amount that was grafted to polystyrene results in an increase of the absorption coefficient α, refractive index n, extinction coefficient k as well as in the dielectric constant ε ∝ within the range between 2.4 and 2.8 for the lower and higher fullerene content, respectively. The films' J-V characteristics, of the space charge limited current (SCLC) behaviour, showed increased currents with increasing the fullerene's content. The electron mobility was extracted and found to increase with increasing the fullerene amount, from 4 x 10 -9 cm 2 /V s to 2 x 10 -7 cm 2 /V s

  2. Electronic Structure of C60/Zinc Phthalocyanine/V₂O₅ Interfaces Studied Using Photoemission Spectroscopy for Organic Photovoltaic Applications.

    Science.gov (United States)

    Lim, Chang Jin; Park, Min Gyu; Kim, Min Su; Han, Jeong Hwa; Cho, Soohaeng; Cho, Mann-Ho; Yi, Yeonjin; Lee, Hyunbok; Cho, Sang Wan

    2018-02-18

    The interfacial electronic structures of a bilayer of fullerene (C 60 ) and zinc phthalocyanine (ZnPc) grown on vanadium pentoxide (V₂O₅) thin films deposited using radio frequency sputtering under various conditions were studied using X-ray and ultraviolet photoelectron spectroscopy. The energy difference between the highest occupied molecular orbital (HOMO) level of the ZnPc layer and the lowest unoccupied molecular orbital (LUMO) level of the C 60 layer was determined and compared with that grown on an indium tin oxide (ITO) substrate. The energy difference of a heterojunction on all V₂O₅ was found to be 1.3~1.4 eV, while that on ITO was 1.1 eV. This difference could be due to the higher binding energy of the HOMO of ZnPc on V₂O₅ than that on ITO regardless of work functions of the substrates. We also determined the complete energy level diagrams of C 60 /ZnPc on V₂O₅ and ITO.

  3. Plasticization effect of C60 on the fast dynamics of polystyrene and related polymers: an incoherent neutron scattering study

    International Nuclear Information System (INIS)

    Sanz, Alejandro; Ruppel, Markus; Cabral, Joao T; Douglas, Jack F

    2008-01-01

    We utilize inelastic incoherent neutron scattering (INS) to quantify how fullerenes affect the 'fast' molecular dynamics of a family of polystyrene related macromolecules. In particular, we prepared bulk nanocomposites of (hydrogenous and ring-deuterated) polystyrene and poly(4-methyl styrene) using a rapid precipitation method where the C 60 relative mass fraction ranged from 0% to 4%. Elastic window scan measurements, using a high resolution (0.9 μeV) backscattering spectrometer, are reported over a wide temperature range (2-450 K). Apparent Debye-Waller (DW) factors 2 >, characterizing the mean-square amplitude of proton displacements, are determined as a function of temperature, T. We find that the addition of C 60 to these polymers leads to a progressive increase in 2 > relative to the pure polymer value over the entire temperature range investigated, where the effect is larger for larger nanoparticle concentration. This general trend seems to indicate that the C 60 nanoparticles plasticize the fast (∼10 -15 s) local (∼1 A) dynamics of these polymer glasses. Generally, we expect nanoparticle additives to affect polymer dynamics in a similar fashion to thin films in the sense that the high interfacial area may cause both a speeding up and slowing down of the glass state dynamics depending on the polymer-surface interaction

  4. Biological properties of water-soluble phosphorhydrazone dendrimers

    Directory of Open Access Journals (Sweden)

    Anne-Marie Caminade

    2013-01-01

    Full Text Available Dendrimers are hyperbranched and perfectly defined macromolecules, constituted of branches emanating from a central core in an iterative fashion. Phosphorhydrazone dendrimers constitute a special family of dendrimers, possessing one phosphorus atom at each branching point. The internal structure of these dendrimers is hydrophobic, but hydrophilic terminal groups can induce the solubility of the whole structure in water. Indeed, the properties of these compounds are mainly driven by the type of terminal groups their bear; this is especially true for the biological properties. For instance, positively charged terminal groups are efficient for transfection experiments, as drug carriers, as anti-prion agents, and as inhibitor of the aggregation of Alzheimer's peptides, whereas negatively charged dendrimers have anti-HIV properties and can influence the human immune system, leading to anti-inflammatory properties usable against rheumatoid arthritis. This review will give the most representative examples of the biological properties of water-soluble phosphorhydrazone dendrimers, organized depending on the type of terminal groups they bear.

  5. Water-soluble resist for environmentally friendly lithography

    Science.gov (United States)

    Lin, Qinghuang; Simpson, Logan L.; Steinhaeusler, Thomas; Wilder, Michelle; Willson, C. Grant; Havard, Jennifer M.; Frechet, Jean M. J.

    1996-05-01

    This paper describes an 'environmentally friendly,' water castable, water developable photoresist system. The chemically amplified negative-tone resist system consists of three water-soluble components: a polymer, poly(methyl acrylamidoglycolate methyl ether), [poly(MAGME)]; a photoacid generator, dimethyl dihydroxyphenylsulfonium triflate and a crosslinker, butanediol. Poly(MAGME) was synthesized by solution free radical polymerization. In the three-component resist system, the acid generated by photolysis of the photoacid generator catalyzes the crosslinking of poly(MAGME) in the exposed regions during post-exposure baking, thus rendering the exposed regions insoluble in water. Negative tone relief images are obtained by developing with pure water. The resist is able to resolve 1 micrometer line/space features (1:1 aspect ratio) with an exposure dose of 100 mJ/cm2 at 248 nm. The resist can be used to generate etched copper relief images on printed circuit boards using aqueous sodium persulfate as the etchant. The crosslinking mechanism has been investigated by model compound studies using 13C NMR. These studies have revealed that the acid catalyzed reaction of the poly(MAGME) with butanediol proceeds via both transesterification and transacetalization (transaminalization) reactions at low temperatures, and also via transamidation at high temperatures.

  6. Water Soluble Polymers as Proton Exchange Membranes for Fuel Cells

    Directory of Open Access Journals (Sweden)

    Bing-Joe Hwang

    2012-03-01

    Full Text Available The relentless increase in the demand for useable power from energy-hungry economies continues to drive energy-material related research. Fuel cells, as a future potential power source that provide clean-at-the-point-of-use power offer many advantages such as high efficiency, high energy density, quiet operation, and environmental friendliness. Critical to the operation of the fuel cell is the proton exchange membrane (polymer electrolyte membrane responsible for internal proton transport from the anode to the cathode. PEMs have the following requirements: high protonic conductivity, low electronic conductivity, impermeability to fuel gas or liquid, good mechanical toughness in both the dry and hydrated states, and high oxidative and hydrolytic stability in the actual fuel cell environment. Water soluble polymers represent an immensely diverse class of polymers. In this comprehensive review the initial focus is on those members of this group that have attracted publication interest, principally: chitosan, poly (ethylene glycol, poly (vinyl alcohol, poly (vinylpyrrolidone, poly (2-acrylamido-2-methyl-1-propanesulfonic acid and poly (styrene sulfonic acid. The paper then considers in detail the relationship of structure to functionality in the context of polymer blends and polymer based networks together with the effects of membrane crosslinking on IPN and semi IPN architectures. This is followed by a review of pore-filling and other impregnation approaches. Throughout the paper detailed numerical results are given for comparison to today’s state-of-the-art Nafion® based materials.

  7. Carcinogenicity assessment of water-soluble nickel compounds.

    Science.gov (United States)

    Goodman, Julie E; Prueitt, Robyn L; Dodge, David G; Thakali, Sagar

    2009-01-01

    IARC is reassessing the human carcinogenicity of nickel compounds in 2009. To address the inconsistencies among results from studies of water-soluble nickel compounds, we conducted a weight-of-evidence analysis of the relevant epidemiological, toxicological, and carcinogenic mode-of-action data. We found the epidemiological evidence to be limited, in that some, but not all, data suggest that exposure to soluble nickel compounds leads to increased cancer risk in the presence of certain forms of insoluble nickel. Although there is no evidence that soluble nickel acts as a complete carcinogen in animals, there is limited evidence that suggests it may act as a tumor promoter. The mode-of-action data suggest that soluble nickel compounds will not be able to cause genotoxic effects in vivo because they cannot deliver sufficient nickel ions to nuclear sites of target cells. Although the mode-of-action data suggest several possible non-genotoxic effects of the nickel ion, it is unclear whether soluble nickel compounds can elicit these effects in vivo or whether these effects, if elicited, would result in tumor promotion. The mode-of-action data equally support soluble nickel as a promoter or as not being a causal factor in carcinogenesis at all. The weight of evidence does not indicate that soluble nickel compounds are complete carcinogens, and there is only limited evidence that they could act as tumor promoters.

  8. Aerobic Biodegradation Characteristic of Different Water-Soluble Azo Dyes

    Directory of Open Access Journals (Sweden)

    Shixiong Sheng

    2017-12-01

    Full Text Available This study investigated the biodegradation performance and characteristics of Sudan I and Acid Orange 7 (AO7 to improve the biological dye removal efficiency in wastewater and optimize the treatment process. The dyes with different water-solubility and similar molecular structure were biologically treated under aerobic condition in parallel continuous-flow mixed stirred reactors. The biophase analysis using microscopic examination suggested that the removal process of the two azo dyes is different. Removal of Sudan I was through biosorption, since it easily assembled and adsorbed on the surface of zoogloea due to its insolubility, while AO7 was biodegraded incompletely and bioconverted, the AO7 molecule was decomposed to benzene series and inorganic ions, since it could reach the interior area of zoogloea due to the low oxidation-reduction potential conditions and corresponding anaerobic microorganisms. The transformation of NH3-N, SO42− together with the presence of tryptophan-like components confirm that AO7 can be decomposed to non-toxic products in an aerobic bioreactor. This study provides a theoretical basis for the use of biosorption or biodegradation mechanisms for the treatment of different azo dyes in wastewater.

  9. Monosaccharides as Versatile Units for Water-Soluble Supramolecular Polymers.

    Science.gov (United States)

    Leenders, Christianus M A; Jansen, Gijs; Frissen, Martijn M M; Lafleur, René P M; Voets, Ilja K; Palmans, Anja R A; Meijer, E W

    2016-03-18

    We introduce monosaccharides as versatile water-soluble units to compatibilise supramolecular polymers based on the benzene-1,3,5-tricarboxamide (BTA) moiety with water. A library of monosaccharide-based BTAs is evaluated, varying the length of the alkyl chain (hexyl, octyl, decyl and dodecyl) separating the BTA and saccharide units, as well as the saccharide units (α-glucose, β-glucose, α-mannose and α-galactose). In all cases, the monosaccharides impart excellent water compatibility. The length of the alkyl chain is the determining factor to obtain either long, one-dimensional supramolecular polymers (dodecyl spacer), small aggregates (decyl spacer) or molecularly dissolved (octyl and hexyl) BTAs in water. For the BTAs comprising a dodecyl spacer, our results suggest that a cooperative self-assembly process is operative and that the introduction of different monosaccharides does not significantly change the self- assembly behaviour. Finally, we investigate the potential of post-assembly functionalisation of the formed supramolecular polymers by taking advantage of dynamic covalent bond formation between the monosaccharides and benzoxaboroles. We observe that the supramolecular polymers readily react with a fluorescent benzoxaborole derivative permitting imaging of these dynamic complexes by confocal fluorescence microscopy. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. OCTANOL/WATER PARTITION COEFFICIENTS AND WATER SOLUBILITIES OF PHTHALATE ESTERS

    Science.gov (United States)

    Measurements of the octanol/water partition coefficients (K-ow) and water solubilities of di-n-octyl phthalate (DnOP) and di-n-decyl phthalate (DnDP) by the slow-stirring method are reported. The water solubility was also measured for di-n-hexyl phthalate (DnHP). The log K-ow val...

  11. Process for the production of furfural from pentoses and/or water soluble pentosans

    NARCIS (Netherlands)

    De Jong, W.; Marcotullio, G.

    2012-01-01

    The invention is directed to a process for the production of furfural from pentoses and/or water soluble pentosans, said process comprising converting the said pentoses and/or water soluble pentosans in aqueous solution in a first step to furfural and in a second step feeding the aqueous solution

  12. Analyzing water soluble soil organics as Trifluoroacetyl derivatives by liquid state proton nuclear magnetic resonance

    Science.gov (United States)

    Felipe Garza Sanchez; Zakiya Holmes Leggett; Sabapathy Sankar

    2005-01-01

    In forested ecosystems, water soluble organics play an important role in soil processes including carbon and nutrient turnover, microbial activity and pedogenesis. The quantity and quality (i.e., chemistry) of these materials is sensitive to land management practices. Monitoring alterations in the chemistry of water soluble organics resulting from land management...

  13. Characterization of the Structural, Mechanical, and Electronic Properties of Fullerene Mixtures: A Molecular Simulations Description

    KAUST Repository

    Tummala, Naga Rajesh

    2017-10-06

    We investigate mixtures of fullerenes and fullerene derivatives, the most commonly used electron accepting materials in organic solar cells, by using a combination of molecular dynamics and density functional theory methods. Our goal is to describe how mixing affects the molecular packing, mechanical properties, and electronic parameters (site energy disorder, electronic couplings) of interest for solar-cell applications. Specifically, we consider mixtures of: (i) C60 and C70; (ii) C60, C70, and C84, and (iii) PC61BM and PC71BM.

  14. The interactions of high-energy, highly-charged ions with fullerenes

    International Nuclear Information System (INIS)

    Ali, R.; Berry, H.G.; Cheng, S.

    1996-01-01

    In 1985, Robert Curl and Richard Smalley discovered a new form of carbon, the fullerene, C 60 , which consists of 60 carbon atoms in a closed cage resembling a soccer ball. In 1990, Kritschmer et al. were able to make macroscopic quantities of fullerenes. This has generated intense activity to study the properties of fullerenes. One area of research involves collisions between fullerenes and atoms, ions or electrons. In this paper we describe experiments involving interactions between fullerenes and highly charged ions in which the center-of-mass energies exceed those used in other work by several orders of magnitude. The high values of projectile velocity and charge state result in excitation and decay processes differing significantly from those seen in studies 3 at lower energies. Our results are discussed in terms of theoretical models analogous to those used in nuclear physics and this provides an interesting demonstration of the unity of physics

  15. Study on spraying water soluble resin to reduce pollution for Fukushima daiichi NPP accident

    International Nuclear Information System (INIS)

    Zhang Qiong; Guo Ruiping; Zhang Chunming; Han Fujuan; Hua Jie; Zhang Jiankui

    2012-01-01

    After Fukushima nuclear accident, Tokyo electric power company used the method of spraying water soluble resin synthesis at the scene of the accident, to restrain and control the spread of the radioactive dust, by forming consolidation layer in pollution area surface. This paper briefly introduced the accident, motivation of spraying water soluble resin, spraying range and implementation process. According to the relevant report on Fukushima nuclear accident, the effect of spraying water soluble resin for reducing pollution was analyzed. The mechanism of reducing pollution for water soluble resin and the application prospect were discussed. Spraying water soluble resin for fixing radioactive dust has reasonable reducing pollution effect. It is worth to use as reference and study in China. (authors)

  16. Antibacterial Characteristics and Activity of Water-Soluble Chitosan Derivatives Prepared by the Maillard Reaction

    Directory of Open Access Journals (Sweden)

    Ying-Chien Chung

    2011-10-01

    Full Text Available The antibacterial activity of water-soluble chitosan derivatives prepared by Maillard reactions against Staphylococcus aureus, Listeria monocytogenes, Bacillus cereus, Escherichia coli, Shigella dysenteriae, and Salmonella typhimurium was examined. Relatively high antibacterial activity against various microorganisms was noted for the chitosan-glucosamine derivative as compared to the acid-soluble chitosan. In addition, it was found that the susceptibility of the test organisms to the water-soluble chitosan derivative was higher in deionized water than in saline solution. Metal ions were also found to reduce the antibacterial activity of the water-soluble chitosan derivative on S. aureus. The marked increase in glucose level, protein content and lactate dehydrogenase (LDH activity was observed in the cell supernatant of S. aureus exposed to the water-soluble chitosan derivative in deionized water. The results suggest that the water-soluble chitosan produced by Maillard reaction may be a promising commercial substitute for acid-soluble chitosan.

  17. An analytical method for determination of fullerenes and functionalized fullerenes in soils with high performance liquid chromatography and UV detection

    International Nuclear Information System (INIS)

    Carboni, Andrea; Emke, Erik; Parsons, John R.; Kalbitz, Karsten; Voogt, Pim de

    2014-01-01

    Graphical abstract: -- Highlights: •A total of eight fullerenes can be analyzed in a single run with HPLC-UV. •The method allows the analysis of fullerenes in soil at relatively low concentrations. •The method developed is robust, highly reproducible and relatively efficient. •The method can be applied to the study of the environmental fate and toxicology of fullerenes. -- Abstract: Fullerenes are carbon-based nanomaterials expected to play a major role in emerging nanotechnology and produced at an increasing rate for industrial and household applications. In the last decade a number of novel compounds (i.e. fullerene derivatives) is being introduced into the market and specific analytical methods are needed for analytical purposes as well as environmental and safety issues. In the present work eight fullerenes (C60 and C70) and functionalized fullerenes (C60 and C70 exohedral-derivatives) were selected and a novel liquid chromatographic method was developed for their analysis with UV absorption as a method of detection. The resulting HPLC-UV method is the first one suitable for the analysis of all eight compounds. This method was applied for the analysis of fullerenes added to clayish, sandy and loess top-soils at concentrations of 20, 10 and 5 μg kg −1 and extracted with a combination of sonication and shaking extraction. The analytical method limits of detection (LoD) and limits of quantification (LoQ) were in the range of 6–10 μg L −1 and 15–24 μg L −1 respectively for the analytical solutions. The extraction from soil was highly reproducible with recoveries ranging from 47 ± 5 to 71 ± 4% whereas LoD and LoQ for all soils tested were of 3 μg kg −1 and 10 μg kg −1 respectively. No significant difference in the extraction performance was observed depending of the different soil matrices and between the different concentrations. The developed method can be applied for the study of the fate and toxicity of fullerenes in complex matrices

  18. The nano-science of C60 molecule

    International Nuclear Information System (INIS)

    Rafii-Tabar, H.

    2002-01-01

    Over the past few years, nano-science and its associated nano-technology have emerged into prominence in research institutions across the world. They have brought about new scientific and engineering paradigms, allowing for the manipulation of single atoms and molecules, designing and fabricating new materials, atom-by-atom, and devices that operate on significantly reduced time and length scales. One important area of research in nano-science and nano technology is carbon-based physics in the form of fullerene physics. The C 6 0 molecule, and other cage-like fullerenes, together with carbon nano tubes provide objects that can be combined to generate three-dimensional functional structures for use in the anticipated nano-technology of future. The unique properties of C 6 0 can also be exploited in designing nano-phase thin films with applications in nano-scope device technology and processes such as nano-lithography. This requires a deep understanding of the highly complex process of adsorption of this molecule on a variety of substrates. We review the field of nano-scale nucleation and growth of C 6 0 molecules on some of the technologically important substrates. In addition to experimental results, the results of a set of highly accurate computational simulations are also reported

  19. Implanting very low energy atomic ions into surface adsorbed cage molecules: the formation/emission of Cs/C60+

    International Nuclear Information System (INIS)

    Kolodney, Eli; Kaplan, Andrey; Manor, Yoni; Bekkerman, Anatoly; Tsipinyuk, Boris

    2004-01-01

    Full Text: We demonstrate the formation of an endo-complex via a collision of energetic ions with molecular overlayers on a surface. An incoming atomic ion is encapsulated inside a very large molecule or cluster by implanting the primary ion into the target species, which then recovers its original structure or rearrange itself around the implanted ion in some stable configuration. Here we describe an experiment resulting in the formation and ejection of an endo-complex, within a single collision. We study the formation and emission of endohedral fullerenes, Cs/C 60 + and Cs/C 70 + , following a single collision of Cs + ion with a sub-monolayer of C 60 (steady state coverage) on gold and silicon surfaces and with a sub-monolayer of C 70 on gold. A continuous low energy (E 0 =35-220 eV) Cs + ion beam hit the Cs + covered surface and the collisional formation and ejection of the endohedral Cs/Cs 60 + complex, within a single Cs + /C 60 collision was observed and characterized. Several experimental observations clearly demonstrate the single collision nature of the combined atom penetration endo-complex ejection event. The fullerene molecule is actually being picked up off the surface by the penetrating Cs + ion. The evidence for the trapping of the Cs + ion inside the fullerene cage is given both by the appearance of the Cs/Cs (602-2n) + (n=1-5) sequence and its termination at Cs/Cs 50 + . Kinetic Energy Distributions (KEDs) of the outgoing Cs/Cs 60 + were measured for two different Cs + impact energies under field-free conditions. The most striking observation is the near independence of the KEDs on the impact energy. Both KEDs peak around 1.2 eV with similar line shapes. A simple model for the formation/ejection/fragmentation dynamics of the endohedral complex is proposed and is found to be in good agreement with the experimental results

  20. Disorder effect on carrier mobility in Fullerene organic semiconductor

    International Nuclear Information System (INIS)

    Mendil, N; Daoudi, M; Berkai, Z; Belghachi, A

    2015-01-01

    The critical factor that limits the efficiencies of organic electronic devices is the low charge carrier mobility which is attributed to disorder in organic films. In this context, we have studied the effects of disorder on carrier mobility in organic Schottky diode of electrons for the fullerene (C 60 ). Our results show that the mobility is sensitive probes of structural phase transitions and order-disorder underlying C 60 . Where it is one reason behind the low mobility which it take as value 1.4x10 -2 cm 2 /V.s above critical temperature Tc =289K. (paper)

  1. Fullerene and oxidative stress

    Directory of Open Access Journals (Sweden)

    M. A. Orlova

    2012-01-01

    Full Text Available Fullerene derivatives superfamily attracts a serious attention as antiviral and anticancer agents and drug delivery carriers as well. A large number of such fullerene С60 derivatives obtained to date. However, there is an obvious deficit of information about causes and mechanisms of immediately and long-term consequences of their effects in vivo which is a true obstacle on the way leading to their practical medical using. First, this concerns their impact on the proliferation, apoptosis and necrosis regulation. Fullerene nanoparticle functionalization type, their sizes and surface nanopathology are of great importance for further promoting of either cytoprotective or cytotoxic effects. One of the main effects of fullerenes on living systems is the reactive oxygen species (ROS formation induction. This lecture provides a modern concept analysis regarding fullerenes effects on ROS formation and modulation of proliferation and apoptosis in normal and tumor cells.

  2. Thermodynamics of TMPC/PSd/Fullerene Nanocomposites: SANS Study

    KAUST Repository

    Chua, Yang-Choo

    2010-11-23

    Wereport a small angle neutron scattering study of the thermodynamics of a polymer mixture in the presence of nanoparticles, both in equilibrium and during phase separation. Neutron cloud point measurements and random phase approximation (RPA) analysis demonstrate that 1-2 mass % of C60 fullerenes destabilizes a highly interacting mixture of poly(tetramethyl bisphenol A polycarbonate) and deuterated polystyrene (TMPC/PSd). We unequivocally corroborate these findings with time-resolved temperature jump experiments that, in identical conditions, result in phase separation for the nanocomposite and stability for the neat polymer mixture. At lower C 60 loadings (viz. 0.2-0.5 mass %), stabilization of the mixture is observed. The nonmonotonic variation of the spinodal temperature with fullerene addition suggests a competitive interplay of asymmetric component interactions and nanoparticle dispersion. The stability line shift depends critically on particle dispersion and vanishes upon nanoparticle agglomeration. © 2010 American Chemical Society.

  3. Investigation of fullerene ions in crossed-beams experiments

    International Nuclear Information System (INIS)

    Hathiramani, D.; Scheier, P.; Braeuning, H.; Trassl, R.; Salzborn, E.; Presnyakov, L.P.; Narits, A.A.; Uskov, D.B.

    2003-01-01

    Employing the crossed-beams technique, we have studied the interaction of fullerene ions both with electrons and He 2+ -ions. Electron-impact ionization cross sections for C 60 q+ (q=1,2,3) have been measured at electron energies up to 1000 eV. Unusual features in shape and charge state dependence have been found, which are not observed for atomic ions. The evaporative loss of neutral C 2 fragments in collisions with electrons indicates the presence of two different mechanisms. In a first-ever ion-ion crossed-beams experiment involving fullerene ions a cross section of (1.05 ± 0.06) x 10 -15 cm 2 for charge transfer in the collision C 60 + + He 2+ at 117.2 keV center-of-mass energy has been obtained

  4. Rb-intercalated C60 compounds studied by photoemission spectroscopies

    International Nuclear Information System (INIS)

    Brambilla, A.; Giovanelli, L.; Vilmercati, P.; Cattoni, A.; Biagioni, P.; Goldoni, A.; Finazzi, M.; Duo, L.

    2005-01-01

    We report on a combined photoemission and inverse photoemission spectroscopy analysis on Rb x C 60 compounds with different stoichiometries (0-bar x-bar 6). Apart from shifts and broadening of the spectral features associated to the different phase formed, we observe in the RbC 60 phase the presence of the highest occupied molecular orbital (HOMO) shoulder and of its symmetric (with respect to the Fermi level) empty state. According to calculations, the metallicity of this phase and the presence of these electronic states may be taken as a fingerprint of the interplay between electron-electron and electron-phonon interactions in determining the electronic behavior of alkali metal fullerides

  5. Order-disorder transitions in C60 and C70

    International Nuclear Information System (INIS)

    Ramasesha, S.K.

    1995-01-01

    In recent years enormous effort has been put in understanding the chemical and physical properties of C 60 and C 70 . Order-disorder transition in C 60 occurs around 250 K at ambient pressure. At the transition freely rotating molecules get orientationally ordered in a simple cubic lattice. Application of pressure increases the transition temperature at a rate of ≅ 10 K kbar -1 , indicating that pressure favours the ordered state. The DSC and x-ray studies on C 70 indicate two phase transitions, one around 270 K and the other around 340 K at room pressure. These transitions also occur at higher temperatures at higher pressures. Application of pressure is found to lift the degeneracy of the energetically equivalent rotational configurations. The high pressure studies are reviewed in the light of existing literature. (author)

  6. Preparation of Polyaniline-Doped Fullerene Whiskers

    Directory of Open Access Journals (Sweden)

    Bingzhe Wang

    2013-01-01

    Full Text Available Fullerene C60 whiskers (FWs doped with polyaniline emeraldine base (PANI-EB were synthesized by mixing PANI-EB/N-methyl pyrrolidone (NMP colloid and FWs suspension based on the nature of the electron acceptor of C60 and electron donor of PANI-EB. Scanning electron microscopy (SEM, Fourier transform infrared (FT-IR, and ultraviolet-visible (UV-Vis spectra characterized the morphology and molecular structure of the FWs doped with PANI-EB. SEM observation showed that the smooth surface of FWs was changed to worm-like surface morphology after being doped with PANI-EB. The UV-Vis spectra suggested that charge-transfer (CT complex of C60 and PANI-EB was formed as PANI-EBδ+-C60δ-. PANI-EB-doped FWs might be useful as a new type of antibacterial and self-cleaning agent as well as multifunctional material to improve the human health and living environment.

  7. La estructura del fullereno C60 y sus aplicaciones

    OpenAIRE

    Vasilievna Kharissova, Oxana; Ortiz Méndez, Ubaldo

    2002-01-01

    Se revisan los datos reportados de una nueva clase de materiales basados en los fullerenos. Se explica la estructura del fullereno C60 y sus compuestos con metales alcalinos, sus propiedades y aplicaciones. Se señala que estos compuestos tienen propiedades de superconducción comparable con la de los tradicionales cupratos. Se indica que esta modificación del carbono puede formar nanotubos que tienen varias aplicaciones prácticas debido a sus propiedades.

  8. Th(IV Adsorption onto Oxidized Multi-Walled Carbon Nanotubes in the Presence of Hydroxylated Fullerene and Carboxylated Fullerene

    Directory of Open Access Journals (Sweden)

    Wangsuo Wu

    2013-09-01

    Full Text Available The adsorption of Th(IV onto the surface of oxidized multi-walled carbon nanotubes (oMWCNTs in the absence and presence of hydroxylated fullerene (C60(OHn and carboxylated fullerene (C60(C(COOH2n has been investigated. C60(OHn, C60(C(COOH2n and oMWCNTs have been chosen as model phases because of their representative in carbon nano-materials family. Adsorption experiments were performed by batch procedure as a function of contact time, pH, ionic strength, and temperature. The results demonstrated that the adsorption of Th(IV was rapidly reached equilibrium and the kinetic process could be described by a pseudo-second-order rate model very well. Th(IV adsorption on oMWCNTs was dependent on pH but independent on ionic strength. Adsorption isotherms were correlated better with the Langmuir model than with the Freundlich model. The thermodynamic parameters calculated from temperature-dependent adsorption isotherms suggested that Th(IV adsorption on oMWCNTs was spontaneous and endothermic. Compared with the adsorption of Th(IV on the same oMWCNTs free of C60(OHn or C60(C(COOH2n, the study of a ternary system showed the inhibition effect of C60(OHn at high concentration on the adsorption of Th(IV in a pH range from neutral to slightly alkaline; whereas the promotion effect of C60(C(COOH2n, even at its low concentration, on Th(IV adsorption was observed in acid medium.

  9. Th(IV) Adsorption onto Oxidized Multi-Walled Carbon Nanotubes in the Presence of Hydroxylated Fullerene and Carboxylated Fullerene.

    Science.gov (United States)

    Wang, Jing; Liu, Peng; Li, Zhan; Qi, Wei; Lu, Yan; Wu, Wangsuo

    2013-09-17

    The adsorption of Th(IV) onto the surface of oxidized multi-walled carbon nanotubes (oMWCNTs) in the absence and presence of hydroxylated fullerene (C 60 (OH) n ) and carboxylated fullerene (C 60 (C(COOH)₂) n ) has been investigated. C 60 (OH) n , C 60 (C(COOH)₂) n and oMWCNTs have been chosen as model phases because of their representative in carbon nano-materials family. Adsorption experiments were performed by batch procedure as a function of contact time, pH, ionic strength, and temperature. The results demonstrated that the adsorption of Th(IV) was rapidly reached equilibrium and the kinetic process could be described by a pseudo-second-order rate model very well. Th(IV) adsorption on oMWCNTs was dependent on pH but independent on ionic strength. Adsorption isotherms were correlated better with the Langmuir model than with the Freundlich model. The thermodynamic parameters calculated from temperature-dependent adsorption isotherms suggested that Th(IV) adsorption on oMWCNTs was spontaneous and endothermic. Compared with the adsorption of Th(IV) on the same oMWCNTs free of C 60 (OH) n or C 60 (C(COOH)₂) n , the study of a ternary system showed the inhibition effect of C 60 (OH) n at high concentration on the adsorption of Th(IV) in a pH range from neutral to slightly alkaline; whereas the promotion effect of C 60 (C(COOH)₂) n , even at its low concentration, on Th(IV) adsorption was observed in acid medium.

  10. Electrochemical detection of dopamine using water-soluble sulfonated graphene

    International Nuclear Information System (INIS)

    Li, Su-Juan; He, Jun-Zhi; Zhang, Meng-Jie; Zhang, Rong-Xia; Lv, Xia-Lei; Li, Shao-Hua; Pang, Huan

    2013-01-01

    Graphical abstract: DPV responses of dopamine (DA) at sulfonated graphene based glassy carbon electrode in the presence of ascorbic acid (AA) and uric acid (UA). The separation of the oxidation peak potentials for AA-DA, DA-UA and UA-AA was about 227 mV, 125 mV and 352 mV, which allowed selectively determining DA. -- Abstract: In the present study, a biosensor was prepared using the water-soluble sulfonated graphene with the aim of achieving the selective and sensitive determination of dopamine (DA) in the presence of ascorbic acid (AA) and uric acid (UA). The aromatic π–π stacking and electrostatic attraction between positively charged DA and negatively charged sulfonated graphene can accelerate the electron transfer whereas weakening AA and UA oxidation on the sulfonated graphene-modified electrode. Fourier transform infrared spectra (FTIR), energy dispersive X-ray spectroscopy (EDX), atomic force microscopy (AFM) and scanning electron microscopy (SEM) were used to characterize the successful synthesis of sulfonated graphene sheets. Differential pulse voltammetry was used for electrochemical detection, the separation of the oxidation peak potentials for AA-DA, DA-UA and UA-AA was about 227 mV, 125 mV and 352 mV, which allowed selectively determining DA. A broad linear range, low detection limit, along with good ability to suppress the background current from large excess ascorbic acid (AA) and uric acid (UA) were obtained. The as-prepared sulfonated graphene sheets exhibited superior performance over conventional negatively charged Nafion films, such as flexible film thickness, unique nanostructure, excellent anti-interference ability, high sensitivity and selectivity. The proposed method was used to detect DA in real hydrochloride injection sample, human urine and serum samples with satisfactory recovery results

  11. Water soluble vitamin E (TMG) as a radioprotector.

    Science.gov (United States)

    Nair, Cherupally Krishnan K; Devi, Pathirissery Uma; Shimanskaya, R; Kunugita, N; Murase, Hironobu; Gu, Yeun-Hwa; Kagiya, Tsutomu V

    2003-12-01

    Tocopherol monoglucoside (TMG), a water soluble derivative of vitamin E offers protection against deleterious effects of ionizing radiation, both under in vivo and in vitro conditions, to biological systems. TMG was found to be a potent antioxidant and an effective free radical scavenger. It forms a phenoxyl radical similar to trolox upon reaction with various one-electron oxidants. TMG protected DNA from radiation-induced strand breaks. It also protected thymine glycol formation induced by gamma-radiation. Gamma-radiation-induced loss of viability of EL-tumor cells and peroxidation of lipids in microsomal and mitochondrial membranes were prevented by TMG. TMG was nontoxic to mice when administered orally up to 7.0 g/kg body weight. The LD50 dose of TMG for ip administration in mice was 1.15 g/kg body wt. In rats, following oral and ip administration of TMG, the absorption (distribution) half lives were 5.8 and 3.0 min respectively and elimination half lives were 6.7 and 3.1 min respectively. Embryonic mortality resulting from exposure of pregnant mice to ionizing radiation (2 Gy) was reduced by 75% by ip administration of TMG (0.6 g/kg, body wt) prior to irradiation. TMG offered protection to mice against whole body gamma-radiation-induced lethality and weight loss. The LD50(30) of mice increased from 6 to 6.72 Gy upon post irradiation administration of a single dose of TMG (0.6 g/kg, body wt) by ip.

  12. A large-scale association study for nanoparticle C60 uncovers mechanisms of nanotoxicity disrupting the native conformations of DNA/RNA.

    Science.gov (United States)

    Xu, Xue; Wang, Xia; Li, Yan; Wang, Yonghua; Yang, Ling

    2012-09-01

    Nano-scale particles have attracted a lot of attention for its potential use in medical studies, in particular for the diagnostic and therapeutic purposes. However, the toxicity and other side effects caused by the undesired interaction between nanoparticles and DNA/RNA are not clear. To address this problem, a model to evaluate the general rules governing how nanoparticles interact with DNA/RNA is demanded. Here by, use of an examination of 2254 native nucleotides with molecular dynamics simulation and thermodynamic analysis, we demonstrate how the DNA/RNA native structures are disrupted by the fullerene (C60) in a physiological condition. The nanoparticle was found to bind with the minor grooves of double-stranded DNA and trigger unwinding and disrupting of the DNA helix, which indicates C60 can potentially inhibit the DNA replication and induce potential side effects. In contrast to that of DNA, C60 only binds to the major grooves of RNA helix, which stabilizes the RNA structure or transforms the configuration from stretch to curl. This finding sheds new light on how C60 inhibits reverse transcription as HIV replicates. In addition, the binding of C60 stabilizes the structures of RNA riboswitch, indicating that C60 might regulate the gene expression. The binding energies of C60 with different genomic fragments varies in the range of -56 to -10 kcal mol(-1), which further verifies the role of nanoparticle in DNA/RNA damage. Our findings reveal a general mode by which C60 causes DNA/RNA damage or other toxic effects at a systematic level, suggesting it should be cautious to handle these nanomaterials in various medical applications.

  13. Determination of water-soluble vitamins using a colorimetric microbial viability assay based on the reduction of water-soluble tetrazolium salts.

    Science.gov (United States)

    Tsukatani, Tadayuki; Suenaga, Hikaru; Ishiyama, Munetaka; Ezoe, Takatoshi; Matsumoto, Kiyoshi

    2011-07-15

    A method for the determination of water-soluble vitamins using a colorimetric microbial viability assay based on the reduction of the tetrazolium salt {2-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)-5-(2,4-disulfophenyl)-2H-tetrazolium, monosodium salt (WST-8)} via 2-methyl-1,4-napthoquinone (NQ) was developed. Measurement conditions were optimized for the microbiological determination of water-soluble vitamins, such as vitamin B(6), biotin, folic acid, niacin, and pantothenic acid, using microorganisms that have a water-soluble vitamin requirement. A linear relationship between absorbance and water-soluble vitamin concentration was obtained. The proposed method was applied to determine the concentration of vitamin B(6) in various foodstuffs. There was good agreement between vitamin B(6) concentrations determined after 24h using the WST-8 colorimetric method and those obtained after 48h using a conventional method. The results suggest that the WST-8 colorimetric assay is a useful method for the rapid determination of water-soluble vitamins in a 96-well microtiter plate. Copyright © 2011 Elsevier Ltd. All rights reserved.

  14. Nonlinear phenomena in the highly excited state of C60

    International Nuclear Information System (INIS)

    Byrne, H.J.; Maser, W.K.; Kaiser, M.; Akselrod, L.; Anders, J.; Ruehle, W.W.; Zhou, X.Q.; Mittelbach, A.; Roth, S.

    1993-01-01

    Under high intensity illumination, the optical and electronic properties of fullerenes are seen to undergo dramatic, nonlinear changes. The photoluminescence emission is seen to increase with approximately the third power of the input intensity above an apparent threshold intensity. Associated with this nonlinear increase is the emergence of a long lifetime emission component and a redshifting of the emission spectrum. Above the threshold intensity the photoconductive response increases with approximately the cube of the input power. In the highly excited state, the photoconductive response becomes relatively temperature independent compared to the thermally activated behaviour observed at low intensities. The characteristics of the temperature dependence are associated with a metallic-like phase in the highly excited state and therefore an optically driven insulator to metal transition is proposed as a description of the observed phenomena. (orig.)

  15. C60 fullereno modificado por haces de iones de baja energía para prevenir el efecto multipactor

    Directory of Open Access Journals (Sweden)

    Galán, L.

    2005-04-01

    Full Text Available C60 fullerene modified by low-energy ion beams of H2 +, N2 +, O2 + y Ar+ has been studied. After ion bombardment, the photoemission spectra obtained using synchrotron radiation show an increase of the density of states just bellow the Fermi level. Ion bombarment of C60 with 50 eV energy and 4×1014 ion/cm2 fluence is sufficient to modify the cage structure of the fullerene and to obtain graphitic amorphous carbon. Upon bombarding with an energy of 50 eV, implantation of the nitrogen and the oxygen ions was observed, while implantation of the hydrogen and argon ions was small. The maximum secondary emission yield of C60 thin films is lower than 1.3 even after air exposure. A significant improvement on the secondary emission properties can be obtained after bombardment by low-energy Ar+ and N2 + ion beams.Se ha estudiado la interacción de los iones H2 +, N2 +, O2 + y Ar+ de baja energía con películas delgadas de fullereno C60. Después del bombardeo iónico, la densidad de estados cerca del nivel de Fermi aumenta de forma apreciable, según se observa en los espectros de fotoemisión obtenidos usando radiación sincrotrón. El bombardeo iónico con una energía de tan sólo 50 eV y una fluencia de 4x1014 ion/cm2 es suficiente para modificar la simétrica estructura de caja del fullereno y obtener carbono amorfo grafítico. El nitrógeno y el oxígeno se implantan al bombardear con una energía de 50 eV, mientras que la implantación es despreciable en el caso del hidrógeno y argon. Las películas de fullereno poseen un coeficiente máximo de emisión secundaria inferior a 1.3 incluso después de su exposición al aire, el cual disminuye después del bombardeo con iones de N2 + y Ar+.

  16. Diffusion-controlled growth of molecular heterostructures: fabrication of two-, one-, and zero-dimensional C(60) nanostructures on pentacene substrates.

    Science.gov (United States)

    Breuer, Tobias; Witte, Gregor

    2013-10-09

    A variety of low dimensional C60 structures has been grown on supporting pentacene multilayers. By choice of substrate temperature during growth the effective diffusion length of evaporated fullerenes and their nucleation at terraces or step edges can be precisely controlled. AFM and SEM measurements show that this enables the fabrication of either 2D adlayers or solely 1D chains decorating substrate steps, while at elevated growth temperature continuous wetting of step edges is prohibited and instead the formation of separated C60 clusters pinned at the pentacene step edges occurs. Remarkably, all structures remain thermally stable at room temperature once they are formed. In addition the various fullerene structures have been overgrown by an additional pentacene capping layer. Utilizing the different probe depth of XRD and NEXAFS, we found that no contiguous pentacene film is formed on the 2D C60 structure, whereas an encapsulation of the 1D and 0D structures with uniformly upright oriented pentacene is achieved, hence allowing the fabrication of low dimensional buried organic heterostructures.

  17. Physical properties of superconducting and ferromagnetic materials based on C60

    International Nuclear Information System (INIS)

    Thompson, J.D.; Sparn, G.; Diederich, F.; Gruener, G.; Holczer, K.; Kaner, R.B.; Whetten, R.L.; Allemand, P.M.; Chen, Q.; Wudl, F.

    1991-01-01

    We present results of magnetization and pressure measurements on recently discovered superconductors K 3 C 60 and Rb 3 C 60 , as well as ferromagnetic C 60 TDAE, and discuss the nature of the ground state suggested by these studies

  18. Nitrogen-doped fullerene as a potential catalyst for hydrogen fuel cells.

    Science.gov (United States)

    Gao, Feng; Zhao, Guang-Lin; Yang, Shizhong; Spivey, James J

    2013-03-06

    We examine the possibility of nitrogen-doped C60 fullerene (N-C60) as a cathode catalyst for hydrogen fuel cells. We use first-principles spin-polarized density functional theory calculations to simulate the electrocatalytic reactions on N-C60. The first-principles results show that an O2 molecule can be adsorbed and partially reduced on the N-C complex sites (Pauling sites) of N-C60 without any activation barrier. Through a direct pathway, the partially reduced O2 can further react with H(+) and additional electrons and complete the water formation reaction (WFR) with no activation energy barrier. In the indirect pathway, reduced O2 reacts with H(+) and additional electrons to form H2O molecules through a transition state (TS) with a small activation barrier (0.22-0.37 eV). From an intermediate state to a TS, H(+) can obtain a kinetic energy of ∼0.95-3.68 eV, due to the Coulomb electric interaction, and easily overcome the activation energy barrier during the WFR. The full catalytic reaction cycles can be completed energetically, and N-C60 fullerene recovers to its original structure for the next catalytic reaction cycle. N-C60 fullerene is a potential cathode catalyst for hydrogen fuel cells.

  19. Terrestrial and extraterrestrial fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Heymann, D.; Jenneskens, L.W.; Jehlicka, J; Koper, C.; Vlietstra, E. [Rice Univ, Houston, TX (United States). Dept. of Earth Science

    2003-07-01

    This paper reviews reports of occurrences of fullerenes in circumstellar media, interstellar media, meteorites, interplanetary dust particles (IDPs), lunar rocks, hard terrestrial rocks from Shunga (Russia), Sudbury (Canada) and Mitov (Czech Republic), coal, terrestrial sediments from the Cretaceous-Tertiary-Boundary and Pennian-Triassic-Boundary, fulgurite, ink sticks, dinosaur eggs, and a tree char. The occurrences are discussed in the context of known and postulated processes of fullerene formation, including the suggestion that some natural fullerenes might have formed from biological (algal) remains.

  20. Exciton-dissociation and charge-recombination processes in pentacene/C60 solar cells: theoretical insight into the impact of interface geometry.

    Science.gov (United States)

    Yi, Yuanping; Coropceanu, Veaceslav; Brédas, Jean-Luc

    2009-11-04

    The exciton-dissociation and charge-recombination processes in organic solar cells based on pentacene/C(60) heterojunctions are investigated by means of quantum-mechanical calculations. The electronic couplings and the rates of exciton dissociation and charge recombination have been evaluated for several geometrical configurations of the pentacene/C(60) complex, which are relevant to bilayer and bulk heterojunctions. The results suggest that, irrespective of the actual pentacene-fullerene orientation, both pentacene-based and C(60)-based excitons are able to dissociate efficiently. Also, in the case of parallel configurations of the molecules at the pentacene/C(60) interface, the decay of the lowest charge-transfer state to the ground state is calculated to be very fast; as a result, it can compete with the dissociation process into mobile charge carriers. Since parallel configurations are expected to be found more frequently in bulk heterojunctions than in bilayer heterojunctions, the performance of pentacene/C(60) bulk-heterojunction solar cells is likely to be more affected by charge recombination than that of bilayer devices.

  1. Exciton-Dissociation and Charge-Recombination Processes in Pentacene/C 60 Solar Cells: Theoretical Insight into the Impact of Interface Geometry

    KAUST Repository

    Yi, Yuanping

    2009-11-04

    The exciton-dissociation and charge-recombination processes in organic solar cells based on pentacene/C60 heterojunctions are investigated by means of quantum-mechanical calculations. The electronic couplings and the rates of exciton dissociation and charge recombination have been evaluated for several geometrical configurations of the pentacene/C60 complex, which are relevant to bilayer and bulk heterojunctions. The results suggest that, irrespective of the actual pentacene-fullerene orientation, both pentacene-based and C60-based excitons are able to dissociate efficiently. Also, in the case of parallel configurations of the molecules at the pentacene/C60 interface, the decay of the lowest charge-transfer state to the ground state is calculated to be very fast; as a result, it can compete with the dissociation process into mobile charge carriers. Since parallel configurations are expected to be found more frequently in bulk heterojunctions than in bilayer heterojunctions, the performance of pentacene/C60 bulk-heterojunction solar cells is likely to be more affected by charge recombination than that of bilayer devices. © 2009 American Chemical Society.

  2. Formulation of a poorly water-soluble drug in sustained-release hollow granules with a high viscosity water-soluble polymer using a fluidized bed rotor granulator.

    Science.gov (United States)

    Asada, Takumi; Yoshihara, Naoki; Ochiai, Yasushi; Kimura, Shin-Ichiro; Iwao, Yasunori; Itai, Shigeru

    2018-04-25

    Water-soluble polymers with high viscosity are frequently used in the design of sustained-release formulations of poorly water-soluble drugs to enable complete release of the drug in the gastrointestinal tract. Tablets containing matrix granules with a water-soluble polymer are preferred because tablets are easier to handle and the multiple drug-release units of the matrix granules decreases the influences of the physiological environment on the drug. However, matrix granules with a particle size of over 800 μm sometimes cause a content uniformity problem in the tableting process because of the large particle size. An effective method of manufacturing controlled-release matrix granules with a smaller particle size is desired. The aim of this study was to develop tablets containing matrix granules with a smaller size and good controlled-release properties, using phenytoin as a model poorly water-soluble drug. We adapted the recently developed hollow spherical granule granulation technology, using water-soluble polymers with different viscosities. The prepared granules had an average particle size of 300 μm and sharp particle size distribution (relative width: 0.52-0.64). The values for the particle strength of the granules were 1.86-1.97 N/mm 2 , and the dissolution profiles of the granules were not affected by the tableting process. The dissolution profiles and the blood concentration levels of drug released from the granules depended on the viscosity of the polymer contained in the granules. We succeeded in developing the desired controlled-release granules, and this study should be valuable in the development of sustained-release formulations of poorly water-soluble drugs. Copyright © 2018 Elsevier B.V. All rights reserved.

  3. Predicting water solubility of congeners: Chloronaphthalenes-A case study

    Energy Technology Data Exchange (ETDEWEB)

    Puzyn, Tomasz, E-mail: puzi@qsar.eu.org [Faculty of Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Mostrag, Aleksandra; Falandysz, Jerzy [Faculty of Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Kholod, Yana; Leszczynski, Jerzy [NSF CREST Nanotoxicity Center, Department of Chemistry, Jackson State University, 1325 Lynch St, Jackson, MS 39217-0510 (United States)

    2009-10-30

    Since the important physicochemical data for chloronaphtalenes (PCNs) are still scarce, we have predicted water solubility (log S) of all 75 congeners with the Quantitative Structure-Property Relationship (QSPR) scheme. The values of log S, predicted by the most efficient model, varied from 0.01 to 1660 {mu}g dm{sup -3} (2.85 x 10{sup -11}-1.02 x 10{sup -5} mol dm{sup -3}), depending on the number of chlorine atoms present in the molecule and the substitution pattern. We found that the main factor determining relative differences in solubility between the congeners is the solvent accessible volume related to the cavitation process occurring in the solvent. The results are presented as a case study of QSPR modeling for those Persistent Organic Pollutants (POPs) that exist as families of congeners. By investigating the impact of (i) the way of the molecular descriptors' calculation, (ii) the size of applied database and (iii) chemometric method of modeling (Multiple Linear Regression, MLR, and/or Partial Least Squares regression, PLS) on the quality of the models we proposed general recommendations for dealing with congeners. We found that the combination of the B3LYP functional with 6-311++G(d,p) basis set was the most optimal technique of the molecular descriptors' calculation for congeners when comparing with semi-empirical PM3, ab initio Hartee-Fock (HF), and Moller-Pleset 2 (MP2) method carried out with different-size basis sets. Moreover, the model developed with a larger and more general database that includes chloronaphthalenes, polychlorinated dibezno-p-dioxins, furans and biphenyls predicted the values of log S for PCNs noticeable worse than the model calibrated only on PCNs. In the later case it was possible to obtain satisfactory results by employing even the simplest MLR method and only one molecular descriptor. The values of log S were also calculated with the WSKOWIN and COSMO-RS models as the reference techniques and then compared to our

  4. Predicting water solubility of congeners: Chloronaphthalenes-A case study

    International Nuclear Information System (INIS)

    Puzyn, Tomasz; Mostrag, Aleksandra; Falandysz, Jerzy; Kholod, Yana; Leszczynski, Jerzy

    2009-01-01

    Since the important physicochemical data for chloronaphtalenes (PCNs) are still scarce, we have predicted water solubility (log S) of all 75 congeners with the Quantitative Structure-Property Relationship (QSPR) scheme. The values of log S, predicted by the most efficient model, varied from 0.01 to 1660 μg dm -3 (2.85 x 10 -11 -1.02 x 10 -5 mol dm -3 ), depending on the number of chlorine atoms present in the molecule and the substitution pattern. We found that the main factor determining relative differences in solubility between the congeners is the solvent accessible volume related to the cavitation process occurring in the solvent. The results are presented as a case study of QSPR modeling for those Persistent Organic Pollutants (POPs) that exist as families of congeners. By investigating the impact of (i) the way of the molecular descriptors' calculation, (ii) the size of applied database and (iii) chemometric method of modeling (Multiple Linear Regression, MLR, and/or Partial Least Squares regression, PLS) on the quality of the models we proposed general recommendations for dealing with congeners. We found that the combination of the B3LYP functional with 6-311++G(d,p) basis set was the most optimal technique of the molecular descriptors' calculation for congeners when comparing with semi-empirical PM3, ab initio Hartee-Fock (HF), and Moller-Pleset 2 (MP2) method carried out with different-size basis sets. Moreover, the model developed with a larger and more general database that includes chloronaphthalenes, polychlorinated dibezno-p-dioxins, furans and biphenyls predicted the values of log S for PCNs noticeable worse than the model calibrated only on PCNs. In the later case it was possible to obtain satisfactory results by employing even the simplest MLR method and only one molecular descriptor. The values of log S were also calculated with the WSKOWIN and COSMO-RS models as the reference techniques and then compared to our results.

  5. Quadrupole photoionization of endohedral Xe-C60

    International Nuclear Information System (INIS)

    Govil, Karan; Deshmukh, P C

    2009-01-01

    The effect of an endohedral confinement on the quadrupole photoionization of atomic Xe is studied using the relativistic random phase approximation (RRPA). The atom's confinement is modelled by placing atomic Xe at the centre of a C 60 cage represented by an annular potential around it. A new confinement resonance is reported in the 4p quadrupole cross-section along with 'correlation confinement resonances' in 4d, 5s and 5p photoionizations at about 185 eV. The effect of the confinement on the non-dipole photoelectron angular distribution parameter γ is also reported.

  6. Fullerene and apoptosis

    Directory of Open Access Journals (Sweden)

    M. A. Orlova

    2013-01-01

    Full Text Available Fullerene derivatives superfamily attracts a serious attention as antiviral and anticancer agents and drug delivery carriers as well. A large number of such fullerene С60 derivatives obtained to date. However, there is an obvious deficit of information about causes and mechanisms of immediately and long-term consequences of their effects in vivo which is a true obstacle on the way leading to practical medical use of them. First, this concerns their impact on the proliferation, apoptosis and necrosis regulation. Fullerene nanoparticle functionalization type, their sizes and surface nanopathology are of great importance to further promoting of either cytoprotective or cytotoxic effects. This lecture provides modern concept analysis regarding fullerenes effects on apoptosis pathway in normal and tumor cells.

  7. Review: kinetics of water-soluble contrast media in the central nervous system

    International Nuclear Information System (INIS)

    Sage, M.R.

    1983-01-01

    In neuroradiology, intraarterial, intravenous, and intrathecal injections of water-soluble contrast media are made. With the growing importance of water-soluble myelography, interventional angiography, and enhanced computed tomography (CT), it is essential to have a clear understanding of the response of the nervous system to such procedures. The blood, cerebrospinal fluid (CSF), and extracellular fluid of the parenchyma form the fluid compartments of the brain with three interfaces between, namely, the blood-brain interface, the CSF-brain interface, and the blood-CSF interface. One of more of these interfaces are exposed to water-soluble contrast media after intraarterial, intravenous, or intrathecal administration. The behavior of water-soluble contrast media at these interfaces is discussed on the basis of local experience and a review of the literature

  8. Comparative toxicity of water soluble fractions of four oils on the growth of a Microalga

    Digital Repository Service at National Institute of Oceanography (India)

    Phatarpekar, P.V.; Ansari, Z.A.

    Toxic effects of water soluble fractions (WSF) of four different fuel oils on a microalga. Tetraselmis gracilis, were examined and compared. On applying different concentrations of WSF, a decrease in cell population was observed. Depending...

  9. Application of spray-drying and electrospraying/electospinning for poorly water-soluble drugs

    DEFF Research Database (Denmark)

    Bohr, Adam; Boetker, Johan P; Rades, Thomas

    2014-01-01

    Solid dispersions have been widely studied as an attractive formulation strategy for the increasingly prevalent poorly water-soluble drug compounds, including herbal medicines, often leading to improvements in drug dissolution rate and bioavailability. However, several challenges are encountered...

  10. Intestinal absorption of water-soluble vitamins in health and disease

    OpenAIRE

    Said, Hamid M.

    2011-01-01

    Our knowledge of the mechanisms and regulation of intestinal absorption of water-soluble vitamins under normal physiological conditions, and of the factors/conditions that affect and interfere with theses processes has been significantly expanded in recent years as a result of the availability of a host of valuable molecular/cellular tools. Although structurally and functionally unrelated, the water-soluble vitamins share the feature of being essential for normal cellular functions, growth an...

  11. Bioassay using the water soluble fraction of a Nigerian Light Crude ...

    African Journals Online (AJOL)

    Summary: A 96-hour bioassay was conducted using the water soluble fraction of a Nigerian light crude oil sample on Clarias gariepinus fingerlings. 0, 2.5, 5.0, 7.5 and 10 mls of water soluble fractions (WSF) of the oil were added to 1000 litres of de-chlorinated tap water to form 0, 25, 50 , 75 and 100 parts per million ...

  12. The role of vitamins in the diet of the elderly II. Water-soluble vitamins

    OpenAIRE

    Csapó J.; Albert Cs.; Prokisch J.

    2017-01-01

    Following a presentation of humans’ water-soluble vitamin requirements, the authors will discuss in detail the role these vitamins play in human organism and outline those major biochemical processes that are negatively affected in the body in case of vitamin deficiency. They point out that in the elderly population of developed countries cases of water-soluble vitamin deficiency are extremely rare and they are due to the lack of dietary vitamin, but mostly to the vitamin being released from ...

  13. Effect of fasting on the urinary excretion of water-soluble vitamins in humans and rats.

    Science.gov (United States)

    Fukuwatari, Tsutomu; Yoshida, Erina; Takahashi, Kei; Shibata, Katsumi

    2010-01-01

    Recent studies showed that the urinary excretion of the water-soluble vitamins can be useful as a nutritional index. To determine how fasting affects urinary excretion of water-soluble vitamins, a human study and an animal experiment were conducted. In the human study, the 24-h urinary excretion of water-soluble vitamins in 12 healthy Japanese adults fasting for a day was measured. One-day fasting drastically decreased urinary thiamin content to 30%, and increased urinary riboflavin content by 3-fold. Other water-soluble vitamin contents did not show significant change by fasting. To further investigate the alterations of water-soluble vitamin status by starvation, rats were starved for 3 d, and water-soluble vitamin contents in the liver, blood and urine were measured during starvation. Urinary excretion of thiamin, riboflavin, vitamin B(6) metabolite 4-pyridoxic acid, nicotinamide metabolites and folate decreased during starvation, but that of vitamin B(12), pantothenic acid and biotin did not. As for blood vitamin levels, only blood vitamin B(1), plasma PLP and plasma folate levels decreased with starvation. All water-soluble vitamin contents in the liver decreased during starvation, whereas vitamin concentrations in the liver did not decrease. Starvation decreased only concentrations of vitamin B(12) and folate in the skeletal muscle. These results suggest that water-soluble vitamins were released from the liver, and supplied to the peripheral tissues to maintain vitamin nutrition. Our human study also suggested that the effect of fasting should be taken into consideration for subjects showing low urinary thiamin and high urinary riboflavin.

  14. Evaluation of ammonium nitrate phosphate (Suphala) having different water soluble phosphorus levels on black soils

    International Nuclear Information System (INIS)

    Deo Dutt; Mutatkar, V.K.; Chapke, V.G.

    1974-01-01

    Efficiency of the laboratory prepared 32 P tagged ammonium nitrate phosphate (Suphala) varying in water soluble P was studied both on calcareous and non-calcareous soils of Maharashtra for bajra and wheat crops under greenhouse conditions. The results revealed a significant increase in dry matter production and uptake of total and fertilizer P with Suphala containing 30-32% water-soluble phosphorus. (author)

  15. Abalone water-soluble matrix for self-healing biomineralization of tooth defects

    Energy Technology Data Exchange (ETDEWEB)

    Wen, Zhenliang [Institute of Biomedical and Pharmaceutical Technology, Fuzhou University, Fuzhou 350002 (China); Chen, Jingdi, E-mail: ibptcjd@fzu.edu.cn [Institute of Biomedical and Pharmaceutical Technology, Fuzhou University, Fuzhou 350002 (China); Wang, Hailiang [The Affiliated Stomatological Hospital, Fujian Medical University, Fuzhou 350002 (China); Zhong, Shengnan; Hu, Yimin; Wang, Zhili [Institute of Biomedical and Pharmaceutical Technology, Fuzhou University, Fuzhou 350002 (China); Zhang, Qiqing, E-mail: zhangqiq@126.com [Institute of Biomedical and Pharmaceutical Technology, Fuzhou University, Fuzhou 350002 (China); Institute of Biomedical Engineering, Chinese Academy of Medical Science & Peking Union Medical College, Tianjin 300192 (China)

    2016-10-01

    Enamel cannot heal by itself if damaged. Hydroxyapatite (HAP) is main component of human enamel. Formation of enamel-like materials for healing enamel defects remains a challenge. In this paper, we successfully isolated the abalone water-soluble matrix (AWSM) with 1.53 wt% the abalone water-soluble protein (AWSPro) and 2.04 wt% the abalone water-soluble polysaccharide (AWSPs) from abandoned abalone shell, and self-healing biomineralization of tooth defects was successfully achieved in vitro. Based on X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), hot field emission scanning electron microscopy (HFESEM) and energy dispersive spectrometer (EDS) analysis, the results showed that the AWSM can efficiently induce remineralization of HAP. The enamel-like HAP was successfully achieved onto etched enamel's surface due to the presence of the AWSM. Moreover, the remineralized effect of eroded enamel was growing with the increase of the AWSM. This study provides a solution to the resource waste and environmental pollution caused by abandoned abalone shell, and we provides a new method for self-healing remineralization of enamel defects by AWSM and develops a novel dental material for potential clinical dentistry application. - Graphical abstract: In this paper, we successfully isolated the abalone water-soluble matrix (AWSM) with 1.53 wt% abalone water-soluble protein (AWSPro) and 2.04 wt% abalone water-soluble polysaccharide (AWSPs) from abandoned abalone shell, and self-healing biomineralization of tooth defects was successfully achieved in vitro by self-organized. Display Omitted - Highlights: • Provides a solution to the resource waste and environmental pollution caused by abandoned abalone shell. • The abalone shell water-soluble matrix contains protein and polysaccharide. • The abalone water-soluble matrix can efficiently induce remineralization of HAP by self-organized. • Achieved self-healing biomineralization of tooth defects in

  16. Water soluble organic aerosols in the Colorado Rocky Mountains, USA: composition, sources and optical properties

    OpenAIRE

    Xie, Mingjie; Mladenov, Natalie; Williams, Mark W.; Neff, Jason C.; Wasswa, Joseph; Hannigan, Michael P.

    2016-01-01

    Atmospheric aerosols have been shown to be an important input of organic carbon and nutrients to alpine watersheds and influence biogeochemical processes in these remote settings. For many remote, high elevation watersheds, direct evidence of the sources of water soluble organic aerosols and their chemical and optical characteristics is lacking. Here, we show that the concentration of water soluble organic carbon (WSOC) in the total suspended particulate (TSP) load at a high elevation site in...

  17. Abalone water-soluble matrix for self-healing biomineralization of tooth defects

    International Nuclear Information System (INIS)

    Wen, Zhenliang; Chen, Jingdi; Wang, Hailiang; Zhong, Shengnan; Hu, Yimin; Wang, Zhili; Zhang, Qiqing

    2016-01-01

    Enamel cannot heal by itself if damaged. Hydroxyapatite (HAP) is main component of human enamel. Formation of enamel-like materials for healing enamel defects remains a challenge. In this paper, we successfully isolated the abalone water-soluble matrix (AWSM) with 1.53 wt% the abalone water-soluble protein (AWSPro) and 2.04 wt% the abalone water-soluble polysaccharide (AWSPs) from abandoned abalone shell, and self-healing biomineralization of tooth defects was successfully achieved in vitro. Based on X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), hot field emission scanning electron microscopy (HFESEM) and energy dispersive spectrometer (EDS) analysis, the results showed that the AWSM can efficiently induce remineralization of HAP. The enamel-like HAP was successfully achieved onto etched enamel's surface due to the presence of the AWSM. Moreover, the remineralized effect of eroded enamel was growing with the increase of the AWSM. This study provides a solution to the resource waste and environmental pollution caused by abandoned abalone shell, and we provides a new method for self-healing remineralization of enamel defects by AWSM and develops a novel dental material for potential clinical dentistry application. - Graphical abstract: In this paper, we successfully isolated the abalone water-soluble matrix (AWSM) with 1.53 wt% abalone water-soluble protein (AWSPro) and 2.04 wt% abalone water-soluble polysaccharide (AWSPs) from abandoned abalone shell, and self-healing biomineralization of tooth defects was successfully achieved in vitro by self-organized. Display Omitted - Highlights: • Provides a solution to the resource waste and environmental pollution caused by abandoned abalone shell. • The abalone shell water-soluble matrix contains protein and polysaccharide. • The abalone water-soluble matrix can efficiently induce remineralization of HAP by self-organized. • Achieved self-healing biomineralization of tooth defects in vitro.

  18. Pressure dependence of the solubility of light fullerenes in 1-hexanol from 298.15 K to 363.15 K

    DEFF Research Database (Denmark)

    Semenov, Konstantin N.; Regueira Muñiz, Teresa; Fernández, Josefa

    2015-01-01

    The solubility of light fullerenes (C60 and C70) in 1-hexanol was investigated in the range of pressures of 0.1-100 MPa and in the range of temperatures of 298.15-363.15 K. In all of the studied temperatures, solubility increases monotonously with increasing pressure. At ambient pressure, we have...... (monosolvated fullerene C60 and non-solvated C60). The composition of the solid crystallosolvate was determined by thermogravimetric analysis. The solubility diagram of the binary system C70-1-hexanol in the temperature range of 298.15-328.15 K at 0.1 MPa consists of only one branch corresponding...

  19. Confirming a predicted selection rule in inelastic neutron scattering spectroscopy: the quantum translator-rotator H2 entrapped inside C60.

    Science.gov (United States)

    Xu, Minzhong; Jiménez-Ruiz, Mónica; Johnson, Mark R; Rols, Stéphane; Ye, Shufeng; Carravetta, Marina; Denning, Mark S; Lei, Xuegong; Bačić, Zlatko; Horsewill, Anthony J

    2014-09-19

    We report an inelastic neutron scattering (INS) study of a H2 molecule encapsulated inside the fullerene C60 which confirms the recently predicted selection rule, the first to be established for the INS spectroscopy of aperiodic, discrete molecular compounds. Several transitions from the ground state of para-H2 to certain excited translation-rotation states, forbidden according to the selection rule, are systematically absent from the INS spectra, thus validating the selection rule with a high degree of confidence. Its confirmation sets a precedent, as it runs counter to the widely held view that the INS spectroscopy of molecular compounds is not subject to any selection rules.

  20. Electronic properties of fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmany, H [ed.; Vienna Univ. (Austria). Inst. fuer Festkoerperphysik; Fink, J [ed.; Kernforschungszentrum Karlsruhe GmbH (Germany). Inst. fuer Nukleare Festkoerperphysik; Mehring, M [ed.; Stuttgart Univ. (Germany). Physikalisches Teilinstitut 2; Roth, S [ed.; Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    1993-01-01

    Since 1991, research in the field of organic carbon materials has developed at a rapid pace due to the advent of the fullerenes and related materials. These forms of carbon are considered as a missing link between the previously discussed electroactive polymers and the oxidic superconductors. It was therefore challenging to select this topic for an international winter school in Kirchberg. Although still in its infancy, research on the physics and chemistry of fullerenes and related compounds has already led to a wealth of results, which was reflected in the wide range of topics covered and the numerous discussions which emerged at the meeting. For C[sub 60] itself, preparation methods and crystal growth techniques continue to evolve, while the understanding of the electronic and structural properties of its solid state continues to pose challenges to experimental and theoretical physicists. The ever-expanding range of higher fullerens and related materials, such as nanotubes and onions, poses a daunting but exciting task for researchers. For synthetic chemists, fullerenes represent the basis of a whole new range of synthetic compounds. The prospect of a periodic table of endohedral fullerene complexes has been discussed, and exohedrally complexed metal-fullerenes have already attracted the attention of physicists. The first endohedral materials are now available. (orig.)

  1. Stability and photodegradation mechanisms of conjugated polymer/fullerene plastic solar cells

    NARCIS (Netherlands)

    Neugebauer, H.; Brabec, C.; Hummelen, J.C.; Sariciftci, N.S.

    2000-01-01

    Degradation studies of poly(2-methoxy-5-(3',7'-dimethyloctyloxy)-1,4-phenylene-vinylene) (MDMO-PPV), fullerenes ((6,6)-phenyl C-61-butyric acid methyl ester (PCBM) and C-60), and mixtures, which are the photoactive components in plastic solar cells, are shown. The degradation processes of the

  2. Correlation between the morphology and photo-physical properties of P3HT: fullerene blends

    CSIR Research Space (South Africa)

    Motaung, DE

    2010-01-01

    Full Text Available -induced charge transfer, well-known for blends of P3HT with fullerenes, was evidenced in blends of P3HT:C60 (1:1 wt ratio) by a strong partially quenching of the P3HT luminescence. The ESR measurements allowed one to quantify the charge transfer between P3HT...

  3. Charge Separation and Recombination in Small Band Gap Oligomer-Fullerene Triads

    NARCIS (Netherlands)

    Karsten, Bram P.; Bouwer, Ricardo K. M.; Hummelen, Jan C.; Williams, Rene M.; Janssen, Rene A. J.

    2010-01-01

    Synthesis and photophysics of a series of thiophene-thienopyrazine small band gap oligomers end-capped at both ends with C(60) are presented In these triads a photoinduced electron transfer reaction occurs between the oligomer as a donor and the fullerene as an acceptor Femtosecond photoinduced

  4. Oral water soluble contrast for malignant bowel obstruction.

    Science.gov (United States)

    Syrmis, William; Richard, Russell; Jenkins-Marsh, Sue; Chia, Siew C; Good, Phillip

    2018-03-07

    Malignant bowel obstruction (MBO) is a common problem in patients with intra-abdominal cancer. Oral water soluble contrast (OWSC) has been shown to be useful in the management of adhesive small bowel obstruction in identifying patients who will recover with conservative management alone and also in reducing the length of hospital stay. It is not clear whether the benefits of OWSC in adhesive small bowel obstruction are also seen in patients with MBO. To determine the reliability of OWSC media and follow-up abdominal radiographs in predicting the success of conservative treatment in resolving inoperable MBO with conservative management.To determine the efficacy and safety of OWSC media in reducing the duration of obstruction and reducing hospital stay in people with MBO. We identified studies from searching Cochrane Central Register of Controlled Trials (CENTRAL), MEDLINE and MEDLINE in Process, Embase, CINAHL, Science Citation Index (Web of Science) and Conference Proceedings Citation Index - Science (Web of Science). We also searched registries of clinical trials and the CareSearch Grey Literature database. The date of the search was the 6 June 2017. Randomised controlled trials (RCTs), or prospective controlled studies, that evaluated the diagnostic potential of OWSC in predicting which malignant bowel obstructions will resolve with conservative treatment.RCTs, or prospective controlled studies, that assessed the therapeutic potential of OWSC in managing MBO at any level compared with placebo, no intervention or usual treatment or supportive care. We used standard methodological procedures expected by Cochrane. We assessed risk of bias and assessed the evidence using GRADE and created a 'Summary of findings' table. We found only one RCT meeting the selection criteria for the second objective (therapeutic potential) of this review. This study recruited nine participants. It compared the use of gastrografin versus placebo in adult patients with MBO with no

  5. Photophysical and photochemical investigations of fullerene presence in amorphous hydrogenated carbon films

    Science.gov (United States)

    Chen, J. Q.; Meeker, D. L.; Barashkov, N. N.

    1997-07-01

    The plasma-enhanced chemical vapor deposition system was used to grow amorphous hydrogenated carbon films deposited on silicon substrates. Extracts of the films were obtained by treatment with boiling cyclohexane solvent. The absorption spectra of these extracts showed the existence of small quantities of fullerenes. Using the molar extinction coefficient of C60 in cyclohexane, the mass of fullerenes in the films was estimated to be about 0.019 mg. C60 induced fluorescence quenching of anthracene was also observed. Additional evidence for the presence of fullerenes was based on their capability to accelerate the photo-oxidation of anthracene through the generation of singlet oxygen with a high quantum yield under ultraviolet irradiation.

  6. Growth of nanocomposite films from accelerated C60 ions

    International Nuclear Information System (INIS)

    Pukha, V E; Zubarev, E N; Drozdov, A N; Pugachov, A T; Jeong, S H; Nam, S C

    2012-01-01

    A beam of accelerated C 60 ions is used to deposit superhard (∼50 GPa) carbon films that exhibit high index plasticity (∼0.13-0.14) and high conductivity (up to 3000 S m -1 ). Transmission electron microscopy, Raman spectroscopy and x-ray photoelectron spectroscopy are subsequently used to study the microstructure and bond character of the deposited films. The films consist of textured graphite nanocrystals and diamond-like amorphous carbon (DLC). The graphene plane of the nanocrystals is aligned perpendicular to the film surface. It is shown that sp 2 bonds dominate in the films. The percentage of sp 3 bonds depends on the ion energy and the substrate temperature, and does not exceed 40%. The obtained results suggest that a new nanocomposite material consisting of oriented graphite nanocrystals reinforced by a DLC matrix is synthesized. A simple model is proposed to correlate the excellent mechanical properties with the observed structure. (paper)

  7. Potential dependence of the effective attraction in doped C60

    International Nuclear Information System (INIS)

    Goff, W.E.; Phillips, P.

    1992-01-01

    In an effort to explain superconductivity in the alkali-doped C 60 , Chakravarty and Kivelson have proposed that there is a net effective electron attraction due to intramolecular Coulomb forces. The calculation makes use of a Hubbard model in which long-range interactions are absent. The authors show that this result strongly depends on the form of the electron-electron interaction and that for potentials with long-range interactions, e.g. an Ohno potential that interpolates between an on site energy and 1/r at large distances, they do not find an effective attraction. Reasonable screening does not significantly modify this result. This indicates that the electronic mechanism in the proposed form cannot be the primary source of an attractive interaction

  8. Empirical tight-binding parameters for solid C60

    International Nuclear Information System (INIS)

    Tit, N.; Kumar, V.

    1993-01-01

    We present a tight-binding model for the electronic structure of C 60 using four (1s and 3p) orbitals per carbon atom. The model has been developed by fitting the tight-binding parameters to the ab-initio pseudopotential calculation of Troullier and Martins (Phys. Rev. B46, 1754 (1992)) in the face-centered cubic (Fm3-bar) phase. Following this, calculations of the energy bands and the density of electronic states have been carried out as a function of the lattice constant. Good agreement has been obtained with the observed lattice-constant dependence of T c using McMillan's formula. Furthermore, calculations of the electronic structure are presented in the simple cubic (Pa3-bar) phase. (author). 43 refs, 3 figs, 1 tab

  9. Classical molecular dynamics simulations of fusion and fragmentation in fullerene-fullerene collisions

    International Nuclear Information System (INIS)

    Verkhovtsev, A.; Korol, A.V.; Solovyov, A.V.

    2017-01-01

    We present the results of classical molecular dynamics simulations of collision-induced fusion and fragmentation of C 60 fullerenes, performed by means of the MBN Explorer software package. The simulations provide information on structural differences of the fused compound depending on kinematics of the collision process. The analysis of fragmentation dynamics at different initial conditions shows that the size distributions of produced molecular fragments are peaked for dimers, which is in agreement with a well-established mechanism of C 60 fragmentation via preferential C 2 emission. Atomic trajectories of the colliding particles are analyzed and different fragmentation patterns are observed and discussed. On the basis of the performed simulations, characteristic time of C 2 emission is estimated as a function of collision energy. The results are compared with experimental time-of-flight distributions of molecular fragments and with earlier theoretical studies. Considering the widely explored case study of C 60 -C 60 collisions, we demonstrate broad capabilities of the MBN Explorer software, which can be utilized for studying collisions of a broad variety of nano-scale and bio-molecular systems by means of classical molecular dynamics. (authors)

  10. Understanding the formation process of exceptionally long fullerene-based nanowires

    DEFF Research Database (Denmark)

    Solov'yov, Ilia; Geng, Junfeng; Solov'yov, Andrey V.

    2009-01-01

    solution of C$_60$. We have performed a thorough theoretical analysis, aiming at gaining an in-depth understanding of the exceptionally large aspect ratio of C$_60$-based nanowires. By accounting for different interactions in the system we have calculated the structures of the unit cell and determined...... the role of the fullerene and of the solvent molecules in the crystallization process of the nanowires. We have calculated the adhesion energy of C$_60$ molecules to the nanowire surface, and on the basis of this explained the growth anisotropy of the crystal. To get a more profound understanding...

  11. On interface dipole layers between C60 and Ag or Au

    NARCIS (Netherlands)

    Veenstra, Sjoerd; Heeres, A.; Hadziioannou, G.; Sawatzky, G.A.; Jonkman, H.T.

    2002-01-01

    C60 layers on polycrystalline Ag and Au are studied by photoelectron spectroscopy. At these metal/C60 interfaces an electron transfer occurs from the metal to the lowest unoccupied orbital of C60. We found in the case of the polycrystalline Ag/C60 interface a dipolar layer with its associated

  12. Computational study for the circular redox reaction of N2O with CO catalyzed by fullerometallic cations C60Fe+ and C70Fe.

    Science.gov (United States)

    Anafcheh, Maryam; Naderi, Fereshteh; Khodadadi, Zahra; Ektefa, Fatemeh; Ghafouri, Reza; Zahedi, Mansour

    2017-03-01

    We applied density functional calculations to study the circular redox reaction mechanism of N 2 O with CO catalyzed by fullerometallic cations C 60 Fe + and C 70 Fe + . The on-top sites of six-membered rings (η 6 ) of fullerene cages are the most preferred binding sites for Fe + cation, and the hexagon to pentagon migration of Fe + is unlikely under ambient thermodynamic conditions. The initial ion/molecule reaction, N 2 O rearrangement and N 2 abstraction on the considered fullerometallic cations are easier than those on the bare Fe + cation in the gas phase. Generally, our results indicate that fullerometallic ions, C 60 Fe + and C 70 Fe + , are more favorable substrates for redox reaction of N 2 O with CO in comparison to the other previously studied carbon nanostructures such as graphene and nanotubes. Copyright © 2016 Elsevier Inc. All rights reserved.

  13. Thermal effect on structure organizations in cobalt-fullerene nanocomposition.

    Science.gov (United States)

    Lavrentiev, Vasily; Vacik, Jiri; Naramoto, Hiroshi; Sakai, Seiji

    2010-04-01

    Effect of deposition temperature (Ts) on structure of Co-C60 nanocomposite (NC) prepared by simultaneous deposition of cobalt and fullerene on sapphire is presented. The NC structure variations with Ts increasing from room temperature (RT) to 400 degrees C have been analyzed using scanning electron microscopy (SEM), atomic force microscopy (AFM) and Raman spectroscopy. AFM and SEM show granule-like structure of the Co-C60 film. The mixture film deposited at RT includes the hills on the surface suggesting accumulation of internal stress during phase separation. Raman spectra show 25 cm(-1) downshift of Ag(2) C60 peak suggesting -Co-C60- polymerization in C60-based matrix of the NC film. Analysis of Raman spectra has revealed existence of amorphous carbon (a-C) in the NC matrix that argues C60 decomposition. The Ts increase to 200 degrees C causes the surface hills smoothing. In parallel, downshift of the Ag(2) peak decreases to 16 cm(-1) that implies more pronounced phase separation and lower -Co-C60- polymerization efficiency. Also, amount of a-C content slightly increases. Further Ts increasing to 400 degrees C changes the NC structure dramatically. AFM shows evident enlargement of the granules. According to Raman spectra the high Ts deposition yields pronounced C60 decomposition increasing the a-C content. Features of a-C Raman peak imply nucleation of graphitic islands at the NC interfaces. Abundant decomposition of C60 in the mixture film deposited at 400 degrees C is referred to cobalt catalytic effect.

  14. Nanostructured Al/Al4C3 composites reinforced with graphite or fullerene and manufactured by mechanical milling and spark plasma sintering

    International Nuclear Information System (INIS)

    Robles Hernández, F.C.; Calderon, H.A.

    2012-01-01

    Highlights: ► Fullerene mix (C 60 + C 70 + soot) is effective to manufacture nanostructured Al/Al 4 C 3 . ► Carbon in the fullerene mix is more reactive with Al that that present in graphite. ► A complete transformation of carbon into Al 4 C 3 is observed in the Al/fullerene. ► Milling and sintering conditions preserve the nanostructured nature of the composites. ► Hardness improvement: 375% Al/graphite and 582% for Al/fullerene composites. - Abstract: Nanostructured Al matrix composites with reinforcements of graphite or fullerene (C 60 + C 70 + soot) have been produced by mechanical milling and spark plasma sintering (SPS). X-ray diffraction and transmission electron microscopy show that C 60 + C 70 withstand longer mechanical milling/alloying times than graphite. Fullerene is a good control agent during mechanical alloying resulting in a denser Al/fullerene composite when compared to the Al/graphite one. A refinement mechanism that takes place during mechanical alloying of fullerene and graphite is experimentally found and correspondingly discussed. Such a mechanism plays a major role in the amorphization of graphite. The larger surface area of the fullerene mix after milling promotes a better interaction with Al and hence allows its complete transformation into Al 4 C 3 during the SPS process. The sintered products show an increase in hardness for the Al/fullerene composite of 6 times and only 4 times for the Al/graphite composite. The SPS technique shows to be an excellent method to transform the fullerene into Al 4 C 3 while preserving its nanostructured nature.

  15. Molecular design of novel fullerene-based acceptors for enhancing the open circuit voltage in polymer solar cells

    Science.gov (United States)

    Tajbakhsh, Mahmood; Kariminasab, Mohaddeseh; Ganji, Masoud Darvish; Alinezhad, Heshmatollah

    2017-12-01

    Organic solar cells, especially bulk hetero-junction polymer solar cells (PSCs), are the most successful structures for applications in renewable energy. The dramatic improvement in the performance of PSCs has increased demand for new conjugated polymer donors and fullerene derivative acceptors. In the present study, quantum chemical calculations were performed for several representative fullerene derivatives in order to determine their frontier orbital energy levels and electronic structures, thereby helping to enhance their performance in PSC devices. We found correlations between the theoretical lowest unoccupied molecular orbital levels and electrophilicity index of various fullerenes with the experimental open circuit voltage of photovoltaic devices according to the poly(3-hexylthiophene) (P3HT):fullerene blend. The correlations between the structure and descriptors may facilitate screening of the best fullerene acceptor for the P3HT donor. Thus, we considered fullerenes with new functional groups and we predicted the output factors for the corresponding P3HT:fullerene blend devices. The results showed that fullerene derivatives based on thieno-o-quinodimethane-C60 with a methoxy group will have enhanced photovoltaic properties. Our results may facilitate the design of new fullerenes and the development of favorable acceptors for use in photovoltaic applications.

  16. Synthesis of Polythiophene–Fullerene Hybrid Additives as Potential Compatibilizers of BHJ Active Layers

    Directory of Open Access Journals (Sweden)

    Sofia Kakogianni

    2016-12-01

    Full Text Available Perfluorophenyl functionalities have been introduced as side chain substituents onto regioregular poly(3-hexyl thiophene (rr-P3HT, under various percentages. These functional groups were then converted to azides which were used to create polymeric hybrid materials with fullerene species, either C60 or C70. The P3HT–fullerene hybrids thus formed were thereafter evaluated as potential compatibilizers of BHJ active layers comprising P3HT and fullerene based acceptors. Therefore, a systematic investigation of the optical and morphological properties of the purified polymer–fullerene hybrid materials was performed, via different complementary techniques. Additionally, P3HT:PC70BM blends containing various percentages of the herein synthesized hybrid material comprising rr-P3HT and C70 were investigated via Transmission Electron Microscopy (TEM in an effort to understand the effect of the hybrids as additives on the morphology and nanophase separation of this typically used active layer blend for OPVs.

  17. Helium clusters as cold, liquid matrix for the laser spectroscopy of silver atoms, silver clusters and C60 fullerenes

    International Nuclear Information System (INIS)

    Hoffmann, K.

    1999-01-01

    One of the main obstacles in the study of gas phase metal clusters is their high temperature. Even cooling in a seeded beam is only of limited used, since the condensation continuously releases energy into the system. As a consequence, spectroscopic studies of free metal clusters typically yield broad structures, which are interpreted as plasma resonances of a free electron gas. An experiment on ionic sodium clusters has shown that low temperatures lead to a narrowing of the absorption bands and the appearance of additional structure, that can not be explained within the free electron model. Thus the need for cold clusters is evident. In principle the deposition of metal clusters into inert matrices eliminates the temperature problem but it can also inflict strong changes on the electronic spectra. Droplets of liquid helium serve as a much more gentle matrix that avoids many of the above problems. In this thesis the new technique of helium droplet spectroscopy is presented as a tool for the study of extremely cold metal clusters. Clusters of silver up to a mass greater than 7000 amu have been produced by pickup of single atoms by a beam of helium droplets. The droplets are formed in a supersonic expansion. The cluster's binding energy is removed by evaporative cooling and the system remains at 0.4 K. The doped droplets are probed by laser spectroscopy with a depletion technique or resonant two photon ionization. We were able to measure the first UV absorption spectrum of metal atoms (silver) inside helium droplets. Another experiment shows that a small fraction of the captured silver atoms resides on the surface of the droplet like alkali atoms. In a two photon process previously unobserved s- and d-Rydberg states of the free silver atom (20 left angle n left angle 80) were excited. The silver atoms, initially embedded in the helium droplets, are found to move to the surface and desorb when excited to the broadened 5p level. This is the first result showing laser induced movement of a foreign atom from the inside to the surface of a nano-droplet of superfluid helium. (orig.)

  18. Growth and Potential Damage of Human Bone-Derived Cells on Fresh and Aged Fullerene C-60 Films

    Czech Academy of Sciences Publication Activity Database

    Kopová, Ivana; Bačáková, Lucie; Lavrentiev, Vasyl; Vacík, Jiří

    2013-01-01

    Roč. 14, č. 5 (2013), s. 9182-9204 E-ISSN 1422-0067 R&D Projects: GA ČR(CZ) GAP107/11/1856 Institutional support: RVO:67985823 ; RVO:61389005 Keywords : carbon nanoparticles * cytotoxicity * tissue engineering Subject RIV: EI - Biotechnology ; Bionics; EI - Biotechnology ; Bionics (UJF-V) Impact factor: 2.339, year: 2013

  19. GTC/CanariCam Mid-IR Imaging of the Fullerene-rich Planetary Nebula IC 418: Searching for the Spatial Distribution of Fullerene-like Molecules

    Science.gov (United States)

    Díaz-Luis, J. J.; García-Hernández, D. A.; Manchado, A.; García-Lario, P.; Villaver, E.; García-Segura, G.

    2018-03-01

    We present seeing-limited narrow-band mid-IR GTC/CanariCam images of the spatially extended fullerene-containing planetary nebula (PN) IC 418. The narrow-band images cover the C60 fullerene band at 17.4 μm, the polycyclic aromatic hydrocarbon like (PAH-like) feature at 11.3 μm, the broad 9–13 μm feature, and their adjacent continua at 9.8 and 20.5 μm. We study the relative spatial distribution of these complex species, all detected in the Spitzer and Infrared Space Observatory spectra of IC 418, with the aim of getting observational constraints to the formation process of fullerenes in H-rich circumstellar environments. A similar ring-like extended structure is seen in all narrow-band filters, except in the dust continuum emission at 9.8 μm, which peaks closer to the central star. The continuum-subtracted images display a clear ring-like extended structure for the carrier of the broad 9–13 μm emission, while the spatial distribution of the (PAH-like) 11.3 μm emission is not so well defined. Interestingly, a residual C60 17.4 μm emission (at about 4σ from the sky background) is seen when subtracting the dust continuum emission at 20.5 μm. This residual C60 emission, if real, might have several interpretations, the most exciting being perhaps that other fullerene-based species like hydrogenated fullerenes with very low H-content may contribute to the observed 17.4 μm emission. We conclude that higher sensitivity mid-IR images and spatially resolved spectroscopic observations (especially in the Q-band) are necessary to get some clues about fullerene formation in PNe.

  20. A first-principles study of lithium adsorption on a graphene-fullerene nanohybrid system.

    Science.gov (United States)

    Koh, Wonsang; Moon, Hye Sook; Lee, Seung Geol; Choi, Ji Ii; Jang, Seung Soon

    2015-03-16

    The mechanism of Li adsorption on a graphene-fullerene (graphene-C60 ) hybrid system has been investigated using density functional theory (DFT). The adsorption energy for Li atoms on the graphene-C60 hybrid system (-2.285 eV) is found to be higher than that on bare graphene (-1.375 eV), indicating that the Li adsorption on the former system is more stable than on the latter. This is attributed to the high affinity of Li atoms to C60 and the charge redistribution that occurs after graphene is mixed with C60 . The electronic properties of the graphene-C60 system such as band structure, density of states, and charge distribution have been characterized as a function of the number of Li atoms adsorbed in comparison to those of the pure graphene and C60 . Li adsorption is found to preferentially occur on the C60 side due to the high adsorption energy of Li on C60 , which imparts a metallic character to the C60 in the graphene-C60 hybrid system. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Growth of thin fullerene films by matrix assisted pulsed laser evaporation

    DEFF Research Database (Denmark)

    Canulescu, Stela; Schou, Jørgen; Fæster, Søren

    C60 fullerene thin films of average thickness of more than 100 nm on silicon substrates can be produced in vacuum by matrix-assisted pulsed laser evaporation (MAPLE). A 355 nm Nd:YAG laser was directed onto a frozen target of anisole with a concentration of 0.67 wt% C60. At laser fluences below 1.......5 J/cm2 the dominant fraction of the film molecules are C60 transferred to the substrate without any fragmentation. For high fluences high-resolution SEM images of MAPLE deposited films reveal large circular features on the surface with high amount of material concentrated at edges. These features......, observed over a wide range of laser fluences, are caused by ejection of large matrix-fullerene liquid droplets into the gas-phase and subsequent deposition. At similar laser energies, but using an unfocused laser beam, MAPLE favours evaporation of matrix and organic molecules, resulting in films...

  2. Matrix Assisted Pulsed Laser Evaporation for growth of fullerene thin films

    DEFF Research Database (Denmark)

    Canulescu, Stela; Schou, Jørgen; Fæster Nielsen, Søren

    C60 fullerene thin films of average thickness of more than 100 nm can be produced in vacuum by matrix-assisted pulsed laser evaporation (MAPLE). A 355 nm Nd:YAG laser was directed onto a frozen target of anisole with a concentration of 0.67 wt% C60. At laser fluences below 1.5 J/cm2, a dominant...... fraction of the film molecules are C60 transferred to the substrate without any fragmentation. Highresolution SEM images of MAPLE deposited films reveal large circular droplets on the surface with high amount of material concentrated at edges (Fig. 1A). These features, observed over a wide range of laser...... fluences, are caused by ejection of large matrix-fullerene liquid droplets into the gas-phase and subsequent deposition. At similar laser energies, but using an unfocused laser beam, MAPLE favours evaporation of matrix and organic molecules, resulting in production of films with smooth surfaces and minimal...

  3. Film morphology effects on the electrical and optical properties of bulk heterojunction organic solar cells based on MEH-PPV/C60 composite

    International Nuclear Information System (INIS)

    Ltaief, A.; Davenas, J.; Bouazizi, A.; Ben Chaabane, R.; Alcouffe, P.; Ben Ouada, H.

    2005-01-01

    The influence of film morphology on the electrical behaviour of an MEH-PPV/C 60 organic solar cells has been investigated. The dissociation of photogenerated charge pairs in composites of buckminsterfullerenes (C 60 ) in a conjugated polymer matrix (MEH-PPV) forming dispersed heterojunctions was studied at low C 60 acceptor concentrations to separate electron transfer from charge transport effects. The motivation of this study was to analyse the strong dependence of organic solar cell efficiencies on the morphology of the composite. Two effects controlling film morphology have been investigated; the first one being the influence of the fullerene concentration and the second one is the effect of the organic solvent used to deposit the photoactive layer. The sample morphology was studied using atomic force microscopy (AFM). Photoluminescence (PL) experiments and current-voltage (I-V) measurements were performed on the deposited photovoltaic film to investigate the influence of dispersion on the charge transfer process between MEH-PPV and C 60 . An attempt to explain all the results will be presented

  4. C60 ion sputtering of layered organic materials

    International Nuclear Information System (INIS)

    Shard, Alexander G.; Green, Felicia M.; Gilmore, Ian S.

    2008-01-01

    Two different organic materials, Irganox1010 and Irganox3114, were vacuum deposited as alternating layers. The layers of Irganox3114 were thin (∼2.5 nm) in comparison to the Irganox1010 (∼55 or ∼90 nm); we call these 'organic delta layers'. Both materials are shown to have identical sputtering yields and the alternating layers may be used to determine some of the important metrological parameters for cluster ion beam depth profiling of organic materials. The sputtering yield for C 60 ions is shown to diminish with ion dose. Comparison with atomic force microscopy data from films of pure Irganox1010, demonstrates that the depth resolution is limited by the development of topography. Secondary ion intensities are a well-behaved function of sputtering yield and may be employed to obtain useful analytical information. Organic delta layers are shown to be valuable reference materials for comparing the capabilities of different cluster ion sources and experimental arrangements for the depth profiling of organic materials.

  5. a.c. conductance study of polycrystal C60

    International Nuclear Information System (INIS)

    Yan Feng; Wang Yening; Huang Yineng; Gu Min; Zhang Qingming; Shen Huimin

    1995-01-01

    The a.c. (1 60 polycrystal (grain size 30 nm) has been studied from 100 to 350 K. Below 150 K, the a.c. conductance is nearly proportional to the temperature and frequency. This is proposed to be due to the hopping of localized states around the Fermi level. Above 200 K, the a.c. conductance exhibits a rapid increase with temperature, and shows a thermally activated behaviour with an activation energy of 0.389 eV below a certain temperature and 0.104 eV above it. A frequency dependent conductance at a fixed temperature is also obtained with a power law σ similar ω s (s∼0.8). For a sample of normal grain size, we have measured a peak near 250 K and a much smaller conductance. These results indicate that the defective na ture of our sample (small grain size, disorder or impurities) plays an important role for the transport properties. The existence of nanocrystals in the sample may give rise to localized states and improve its a.c. conductance. The two activation energies can be attributed to the coexistence of the crystalline and amorphous phases of C 60 . ((orig.))

  6. Growth and FIB-SEM analyses of C60 microtubes vertically synthesized on porous alumina membranes

    Science.gov (United States)

    Miyazawa, Kun'ichi; Kuriyama, Ryota; Shimomura, Shuichi; Wakahara, Takatsugu; Tachibana, Masaru

    2014-02-01

    The vertical growth of C60 microtubes (C60MTs) on anodic aluminum oxide (AAO) membranes was investigated. The C60MT size dependence on isopropyl alcohol (IPA) injection rate, into C60-saturated toluene solutions through AAO membranes, was measured. A longitudinal section of the interface between a vertically grown C60MT (V-C60MT) and a membrane was prepared by focused ion beam processing, and observed with scanning electron microscopy. No cracking was observed along the interface, suggesting good bonding. V-C60MTs exhibited spiral growth. V-C60MT planar density, wall thickness and aspect ratio all decreased with increasing IPA injection rate. The relationships among length, inner and outer diameters of V-C60MTs were also investigated by varying IPA injection rate.

  7. Temperature-dependent photoluminescence of water-soluble quantum dots for a bioprobe

    International Nuclear Information System (INIS)

    Liu Tiancai; Huang Zhenli; Wang Haiqiao; Wang Jianhao; Li Xiuqing; Zhao Yuandi; Luo Qingming

    2006-01-01

    The photoluminescence of water-soluble CdSe/ZnS core/shell quantum dots is found to be temperature-dependent: as temperature arising from 280 K to 351 K, the photoluminescence declines with emission peak shifting towards the red at a rate of ∼0.11 nm K -1 . And the studies show that the photoluminescence of water-soluble CdSe/ZnS quantum dots with core capped by a thinner ZnS shell is more sensitive to temperature than that of ones with core capped by a thicker one. That is, with 50% decrement of the quantum yield the temperature of the former need to arise from 280 K to 295 K, while the latter requires much higher temperature (315.6 K), which means that the integrality of shell coverage is a very important factor on temperature-sensitivity to for the photoluminescence of water-soluble CdSe/ZnS quantum dots. Moreover, it is found that the water-soluble CdSe quantum dots with different core sizes, whose cores are capped by thicker ZnS shells, possess almost the same sensitivity to the temperature. All of the studies about photoluminescence temperature-dependence of water-soluble CdSe/ZnS core/shell quantum dots show an indispensable proof for their applications in life science

  8. Study on Mixed Solvency Concept in Formulation Development of Aqueous Injection of Poorly Water Soluble Drug

    Directory of Open Access Journals (Sweden)

    Shailendra Singh Solanki

    2013-01-01

    Full Text Available In the present investigation, mixed-solvency approach has been applied for the enhancement of aqueous solubility of a poorly water- soluble drug, zaltoprofen (selected as a model drug, by making blends (keeping total concentrations 40% w/v, constant of selected water-soluble substances from among the hydrotropes (urea, sodium benzoate, sodium citrate, nicotinamide; water-soluble solids (PEG-4000, PEG-6000; and co-solvents (propylene glycol, glycerine, PEG-200, PEG-400, PEG-600. Aqueous solubility of drug in case of selected blends (12 blends ranged from 9.091 ± 0.011 mg/ml–43.055 ± 0.14 mg/ml (as compared to the solubility in distilled water 0.072 ± 0.012 mg/ml. The enhancement in the solubility of drug in a mixed solvent containing 10% sodium citrate, 5% sodium benzoate and 25 % S cosolvent (25% S cosolvent contains PEG200, PEG 400, PEG600, Glycerine and Propylene glycol was more than 600 fold. This proved a synergistic enhancement in solubility of a poorly water-soluble drug due to mixed cosolvent effect. Each solubilized product was characterized by ultraviolet and infrared techniques. Various properties of solution such as pH, viscosity, specific gravity and surface tension were studied. The developed formulation was studied for physical and chemical stability. This mixed solvency shall prove definitely a boon for pharmaceutical industries for the development of dosage form of poorly water soluble drugs.

  9. Water soluble {2-[3-(diethylamino)phenoxy]ethoxy} substituted zinc(II) phthalocyanine photosensitizers

    Energy Technology Data Exchange (ETDEWEB)

    Çakır, Dilek [Department of Chemistry, Faculty of Sciences, Karadeniz Technical University, 61080 Trabzon (Turkey); Göl, Cem [Gebze Institute of Technology, Department of Chemistry, PO Box 141, Gebze, 41400, Kocaeli (Turkey); Çakır, Volkan [Department of Chemistry, Faculty of Sciences, Karadeniz Technical University, 61080 Trabzon (Turkey); Durmuş, Mahmut [Gebze Institute of Technology, Department of Chemistry, PO Box 141, Gebze, 41400, Kocaeli (Turkey); Bıyıklıoğlu, Zekeriya, E-mail: zekeriya_61@yahoo.com [Department of Chemistry, Faculty of Sciences, Karadeniz Technical University, 61080 Trabzon (Turkey); Kantekin, Halit [Department of Chemistry, Faculty of Sciences, Karadeniz Technical University, 61080 Trabzon (Turkey)

    2015-03-15

    The new peripherally and non-peripherally tetra-{2-[3-(diethylamino)phenoxy] ethoxy} substituted zinc phthalocyanines (2a and 3a) were synthesized by cyclotetramerization of phthalonitrile derivatives (2 and 3). 2-[3-(diethylamino)phenoxy] ethoxy group was chosen as substituent because the quaternization of the diethylamino functionality on the structure of this group produced water soluble zinc phthalocyanines (2b and 3b). The water solubility is very important for many different applications such as photosensitizers in the photodynamic therapy of cancer because the water soluble photosensitizers can be injected directly to the body and they can transport to cancer cells through blood stream. The new compounds were characterized by using elemental analysis, UV–vis, IR, {sup 1}H NMR, {sup 13}C NMR and mass spectroscopies. The photophysical and photochemical properties of these novel photosensitizer compounds were examined in DMSO (both non-ionic and ionic complexes) and in PBS (for ionic complexes) solutions. The investigation of these properties is very important for the usage of the compounds as photosensitizers for PDT because determination of these properties is the first stage of potential of the compounds as photosensitizers. The bovine serum albumin (BSA) and DNA binding behaviour of the studied water soluble zinc (II) phthalocyanines were also investigated in PBS solutions for the determination of biological activity of these compounds. - Highlights: • Synthesis of water soluble zinc phthalocyanines. • Photophysical and photochemical properties for phthalocyanines. • Photodynamic therapy studies.

  10. The role of vitamins in the diet of the elderly II. Water-soluble vitamins

    Directory of Open Access Journals (Sweden)

    Csapó J.

    2017-10-01

    Full Text Available Following a presentation of humans’ water-soluble vitamin requirements, the authors will discuss in detail the role these vitamins play in human organism and outline those major biochemical processes that are negatively affected in the body in case of vitamin deficiency. They point out that in the elderly population of developed countries cases of water-soluble vitamin deficiency are extremely rare and they are due to the lack of dietary vitamin, but mostly to the vitamin being released from its bindings, the difficulty of free vitamin absorption, gastrointestinal problems, medication, and often alcoholism. Among water-soluble vitamins, B12 is the only one with a sufficient storage level in the body, capable of preventing deficiency symptoms for a long period of time in cases of vitamin-deficient nutrition. Each type of vitamin is dealt with separately in discussing the beneficial outcomes of their overconsumption regarding health, while the authors of the article also present cases with contradictory results. Daily requirements are set forth for every water-soluble vitamin and information is provided on the types of nutrients that help us to the water-soluble vitamins essential for the organism.

  11. Water Soluble Vitamins Enhance the Growth of Microorganisms in Peripheral Parenteral Nutrition Solutions.

    Science.gov (United States)

    Omotani, Sachiko; Tani, Katsuji; Nagai, Katsuhito; Hatsuda, Yasutoshi; Mukai, Junji; Myotoku, Michiaki

    2017-01-01

    Peripheral parenteral nutrition (PPN) solutions contain amino acids, glucose, and electrolytes, with or without some water soluble vitamins. Peripheral venous catheters are one of the causes of catheter related blood stream infection (CRBSI), which requires infection control. In Japan, PPN solutions have rarely been prepared under aseptic conditions. However, in recent years, the necessity of adding vitamins to infusions has been reported. Therefore, we investigated the effects of water soluble vitamins on growth of microorganisms in PPN solutions. AMINOFLUID ® (AF), BFLUID ® (BF), PARESAFE ® (PS) and PAREPLUS ® (PP) PPN solutions were used. Water soluble vitamins contained in PP were also used. Causative microorganisms of CRBSI were used. Staphylococcus epidermidis decreased after 24 hours or 48 hours in all solutions. On the other hand, Escherichia coli , Serratia marcescens , Pseudomonas aeruginosa, Staphylococcus aureus and Candida albicans increased, especially in PP. When each water soluble vitamin was added to BF and PS, growth of S. aureus was greater in solutions that contained nicotinamide than in solutions that contained other vitamins. As for C. albicans , they grew in all test solutions. C. albicans grew especially well in solutions that contained biotin. When commercial amino acids and glucose solutions with electrolytes are administered, in particular those containing multivitamins or water soluble vitamins, efforts to control infection must be taken to prevent proliferation of microorganisms.

  12. Teratogenicity and metabolism of water-soluble forms of vitamin A in the pregnant rat

    International Nuclear Information System (INIS)

    Gunning, D.B.; Barua, A.B.; Olson, J.A.

    1990-01-01

    Retinoyl β-glucuronide, unlike retinoic acid, has been shown to be non-teratogenic when administered orally, even in large doses, to pregnant rats. The degree to which water-solubility is associated with low teratogenicity is not known. Other water-soluble forms of vitamin A have now been synthesized in our laboratory and are being evaluated for teratogenicity. New water-soluble forms of vitamin A were administered orally to pregnant Sprague-Dawley rats in a single dose of 0.35 mmole/kg bw on day 8 of gestation. On day 19, the dams were sacrificed and the litters were examined. Control animals received either vehicle only or an equivalent dose of all-trans retinoic acid. Maternal and fetal tissues were taken and analyzed by HPLC for vitamin A metabolites. In another experiment, a large single oral dose of the radiolabelled water-soluble compound was administered on day 10. At either 30 minutes or 1 hour after the dose, dams were sacrificed and the embryos analyzed both for radioactivity and for specific metabolites. In contrast to retinoyl β-glucuronide, retinoyl β-glucose is highly teratogenic under identical conditions. Thus, water-solubility does not seem to be the determining factor in the teratogenicity of retinoic acid conjugates

  13. Temperature-dependent photoluminescence of water-soluble quantum dots for a bioprobe

    Energy Technology Data Exchange (ETDEWEB)

    Liu Tiancai [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Huang Zhenli [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Wang Haiqiao [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Wang Jianhao [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Li Xiuqing [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Zhao Yuandi [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)]. E-mail: zydi@mail.hust.edu.cn; Luo Qingming [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)

    2006-02-10

    The photoluminescence of water-soluble CdSe/ZnS core/shell quantum dots is found to be temperature-dependent: as temperature arising from 280 K to 351 K, the photoluminescence declines with emission peak shifting towards the red at a rate of {approx}0.11 nm K{sup -1}. And the studies show that the photoluminescence of water-soluble CdSe/ZnS quantum dots with core capped by a thinner ZnS shell is more sensitive to temperature than that of ones with core capped by a thicker one. That is, with 50% decrement of the quantum yield the temperature of the former need to arise from 280 K to 295 K, while the latter requires much higher temperature (315.6 K), which means that the integrality of shell coverage is a very important factor on temperature-sensitivity to for the photoluminescence of water-soluble CdSe/ZnS quantum dots. Moreover, it is found that the water-soluble CdSe quantum dots with different core sizes, whose cores are capped by thicker ZnS shells, possess almost the same sensitivity to the temperature. All of the studies about photoluminescence temperature-dependence of water-soluble CdSe/ZnS core/shell quantum dots show an indispensable proof for their applications in life science.

  14. Membrane Proteins Are Dramatically Less Conserved than Water-Soluble Proteins across the Tree of Life.

    Science.gov (United States)

    Sojo, Victor; Dessimoz, Christophe; Pomiankowski, Andrew; Lane, Nick

    2016-11-01

    Membrane proteins are crucial in transport, signaling, bioenergetics, catalysis, and as drug targets. Here, we show that membrane proteins have dramatically fewer detectable orthologs than water-soluble proteins, less than half in most species analyzed. This sparse distribution could reflect rapid divergence or gene loss. We find that both mechanisms operate. First, membrane proteins evolve faster than water-soluble proteins, particularly in their exterior-facing portions. Second, we demonstrate that predicted ancestral membrane proteins are preferentially lost compared with water-soluble proteins in closely related species of archaea and bacteria. These patterns are consistent across the whole tree of life, and in each of the three domains of archaea, bacteria, and eukaryotes. Our findings point to a fundamental evolutionary principle: membrane proteins evolve faster due to stronger adaptive selection in changing environments, whereas cytosolic proteins are under more stringent purifying selection in the homeostatic interior of the cell. This effect should be strongest in prokaryotes, weaker in unicellular eukaryotes (with intracellular membranes), and weakest in multicellular eukaryotes (with extracellular homeostasis). We demonstrate that this is indeed the case. Similarly, we show that extracellular water-soluble proteins exhibit an even stronger pattern of low homology than membrane proteins. These striking differences in conservation of membrane proteins versus water-soluble proteins have important implications for evolution and medicine. © The Author 2016. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution.

  15. Amelioration of radiation induced oxidative stress using water soluble chitosan produced by Aspergillus niger

    International Nuclear Information System (INIS)

    EL-Sonbaty, S.M.; Swailam, H.M.; Noaman, E.

    2012-01-01

    Chitosan is a natural polysaccharide synthesized by a great number of living organisms and considered as a source of potential bioactive material and has many biological applications which are greatly affected by its solubility in neutral ph. In this study low molecular weight water soluble chitosan was prepared by chemical degradation of chitosan produced by Aspergillus niger using H 2 O 2 . Chitosan chemical structure was detected before and after treatment using FTIR spectrum, and its molecular weight was determined by its viscosity using viscometer. Its antioxidant activity against gamma radiation was evaluated in vivo using rats. Rats were divided into 4 groups; group 1: control, group 2: exposed to acute dose of gamma radiation (6 Gy), group 3: received water soluble chitosan, group 4: received water soluble chitosan then exposed to gamma radiation as group 2. Gamma radiation significantly increased malonaldehyde, decreased glutathione concentration, activity of superoxide dismutase, catalase, and glutatione peroxidase, while significantly increase the activity of alanine transferase, aspartate transferase, urea and creatinine concentration. Administration of water soluble chitosan has ameliorated induced changes caused by gamma radiation. It could be concluded that water soluble chitosan by scavenging free radicals directly or indirectly may act as a potent radioprotector against ionizing irradiation.

  16. Water soluble {2-[3-(diethylamino)phenoxy]ethoxy} substituted zinc(II) phthalocyanine photosensitizers

    International Nuclear Information System (INIS)

    Çakır, Dilek; Göl, Cem; Çakır, Volkan; Durmuş, Mahmut; Bıyıklıoğlu, Zekeriya; Kantekin, Halit

    2015-01-01

    The new peripherally and non-peripherally tetra-{2-[3-(diethylamino)phenoxy] ethoxy} substituted zinc phthalocyanines (2a and 3a) were synthesized by cyclotetramerization of phthalonitrile derivatives (2 and 3). 2-[3-(diethylamino)phenoxy] ethoxy group was chosen as substituent because the quaternization of the diethylamino functionality on the structure of this group produced water soluble zinc phthalocyanines (2b and 3b). The water solubility is very important for many different applications such as photosensitizers in the photodynamic therapy of cancer because the water soluble photosensitizers can be injected directly to the body and they can transport to cancer cells through blood stream. The new compounds were characterized by using elemental analysis, UV–vis, IR, 1 H NMR, 13 C NMR and mass spectroscopies. The photophysical and photochemical properties of these novel photosensitizer compounds were examined in DMSO (both non-ionic and ionic complexes) and in PBS (for ionic complexes) solutions. The investigation of these properties is very important for the usage of the compounds as photosensitizers for PDT because determination of these properties is the first stage of potential of the compounds as photosensitizers. The bovine serum albumin (BSA) and DNA binding behaviour of the studied water soluble zinc (II) phthalocyanines were also investigated in PBS solutions for the determination of biological activity of these compounds. - Highlights: • Synthesis of water soluble zinc phthalocyanines. • Photophysical and photochemical properties for phthalocyanines. • Photodynamic therapy studies

  17. Density functional study of the electronic structure of dye-functionalized fullerenes and their model donor-acceptor complexes containing P3HT

    International Nuclear Information System (INIS)

    Baruah, Tunna; Garnica, Amanda; Paggen, Marina; Basurto, Luis; Zope, Rajendra R.

    2016-01-01

    We study the electronic structure of C 60 fullerenes functionalized with a thiophene-diketo-pyrrolopyrrole-thiophene based chromophore using density functional theory combined with large polarized basis sets. As the attached chromophore has electron donor character, the functionalization of the fullerene leads to a donor-acceptor (DA) system. We examine in detail the effect of the linker and the addition site on the electronic structure of the functionalized fullerenes. We further study the electronic structure of these DA complexes with a focus on the charge transfer excitations. Finally, we examine the interface of the functionalized fullerenes with the widely used poly(3-hexylthiophene-2,5-diyl) (P3HT) donor. Our results show that all functionalized fullerenes with an exception of the C 60 -pyrrolidine [6,6], where the pyrrolidine is attached at a [6,6] site, have larger electron affinities relative to the pristine C 60 fullerene. We also estimate the quasi-particle gap, lowest charge transfer excitation energy, and the exciton binding energies of the functionalized fullerene-P3MT model systems. Results show that the exciton binding energies in these model complexes are slightly smaller compared to a similarly prepared phenyl-C 61 -butyric acid methyl ester (PCBM)-P3MT complex.

  18. The Activity of [60]Fullerene Derivatives Bearing Amine and Carboxylic Solubilizing Groups against Escherichia coli: A Comparative Study

    Directory of Open Access Journals (Sweden)

    Dmitry G. Deryabin

    2014-01-01

    Full Text Available We report a comparative investigation of the antibacterial activity of two water-soluble fullerene derivatives bearing protonated amine (AF and deprotonated carboxylic (CF groups appended to the fullerene cage via organic linkers. The negatively charged fullerene derivative CF showed no tendency to bind to the bacterial cells and, consequently, no significant antibacterial activity. In contrast, the compound AF loaded with cationic groups showed strong and partially irreversible binding to the negatively charged Escherichia coli K12 TG1 cells and to human erythrocytes, also possessing negative zeta potential. Adsorption of AF on the bacterial surface was visualized by atomic force microscopy revealing the formation of specific clusters (AF aggregates surrounding the bacterial cell. Incubation of E. coli K12 TG1 with AF led to a dose-dependent bactericidal effect with LD50 = 79.1 µM. The presence of human erythrocytes in the test medium decreased the AF antibacterial activity. Thus we reveal that the water-soluble cationic fullerene derivative AF possesses promising antibacterial activity, which might be utilized in the development of novel types of chemical disinfectants.

  19. Fullerene nanostructures, monolayers and thin films

    International Nuclear Information System (INIS)

    Cotier, B.N.

    2000-10-01

    The interaction of submonolayer, monolayer and multilayer coverages of C 60 with the Ag/Si(111)-(√3x√3)R30 deg. (√3Ag/Si) and Si(111)-7x7 surfaces has been investigated using atomic force microscopy (AFM), photoelectron spectroscopy (PES) and ultra high vacuum scanning tunneling microscopy (UHV-STM). It is shown that it is possible to preserve the √3Ag/Si surface, normally corrupted by exposure to air, in ambient conditions when immersed beneath a few layers of C 60 molecules. Upon removal of the fullerene layers in the UHV-STM some corruption is observed which is linked to the morphology of the fullerene film (defined by the nature of the interaction of C 60 with √3Ag/Si). This technique opens up the possibility of performing experiments on the clean √3Ag/Si surface outside of UHV conditions. With the discovery of techniques whereby structures may be formed that are composed of only a few atoms/molecules, there is a need to perform electrical measurements in order to probe the fascinating properties of these 'nano-scale' devices. Using AFM, PES and STM evaporated metals and ion implantation have been investigated as materials for use in forming sub-micron scale contacts to nanostructures. It is found that ion implantation is a more promising approach after studying the response to annealing of treated surfaces. Electrical measurements between open/short circuited contacts and through Ag films clearly demonstrate the validity of the method, further confirmed by a PES study which probes the chemical nature of the near surface region of ion-implanted samples. Attempts have been made to form nanostructure templates between sub-micron scale contacts as a possible precursor to forming nanostructures. The bonding state of C 60 molecules on the Si(111)-7x7 surface has been in dispute for many years. To properly understand the system a comprehensive AFM, PES and STM study has been performed. PES results indicate covalent bond formation, with the number of bonds

  20. Parallel beam powder diffraction study on the A1C60 system (A=K, Rb)

    International Nuclear Information System (INIS)

    Faigel, G.; Tegze, M.; Bortel, G.; Forro, L.; Oszlanyi, G.; Stephens, P.W.

    1994-01-01

    We report x-ray powder diffraction studies on Rb x C 60 and K x C 60 . It is shown that at room temperature there exist stoichiometric compounds in the Rb x C 60 and K x C 60 systems at the x = 1 composition. Their equilibrium structures are pseudo body centered orthorhombic. The C 60 -C 60 intermolecular separation (9.1 A) is the shortest among the known alkali-fullerides. A first order phase transition is observed at about 380 K from the high temperature fcc phase to the room temperature orthorhombic phase. (orig.)

  1. Crystal and molecular structure of new fullerides (Ph4P)2C60Hal (Hal = Br, I) and (Ph4As)2C60Cl

    International Nuclear Information System (INIS)

    Gritsenko, V.V.; D'yachenko, O.A.; Shilov, G.V.; Spitsyn, N.G.; Yagubskij, E h.B.

    1997-01-01

    New stable on air fullerides (Ph 4 P) 2 C 60 Hal (Hal = Br, I) and (Ph 4 As) 2 C 60 Cl were synthesized and their crystal structure were determined. On the basis of their relative crystallochemical analysis fullerides obtained were shown to be isostructural. They are described by general formula (Ph 4 X) 2 C 60 Hal (X = H, As; Hal = Cl, Br, I) and crystallized in triclinic system. Anions C 60 - and Hal - occupy the centre-symmetrical positions, cations (PH 4 P) + and (Ph 4 As) + occupy the general positions. The main parameters of molecular structure are presented

  2. Synthesis, characterization and fluorescent properties of water-soluble glycopolymer bearing curcumin pendant residues.

    Science.gov (United States)

    Zhang, Haisong; Yu, Meng; Zhang, Hailei; Bai, Libin; Wu, Yonggang; Wang, Sujuan; Ba, Xinwu

    2016-08-01

    Curcumin is a potential natural anticancer drug with low oral bioavailability because of poor water solubility. The aqueous solubility of curcumin is enhanced by means of modification with the carbohydrate units. Polymerization of the curcumin-containing monomer with carbohydrate-containing monomer gives the water-soluble glycopolymer bearing curcumin pendant residues. The obtained copolymers (P1 and P2) having desirable water solubility were well-characterized by infrared spectroscopy (IR), nuclear magnetic resonance (NMR), gel permeation chromatography (GPC), UV-Vis absorption spectroscopy, and photoluminescence spectroscopy. The copolymer P2 with a molar ratio of 1:6 (curcumin/carbohydrate) calculated from the proton NMR results exhibits a similar anticancer activity compared to original curcumin, which may serve as a potential chemotherapeutic agent in the field of anticancer medicine.

  3. Separation of three water-soluble vitamins by poly(dimethylsiloxane) microchannel electrophoresis with electrochemical detection.

    Science.gov (United States)

    Li, Xiang-Yun; Zhang, Qian-Li; Lian, Hong-Zhen; Xu, Jing-Juan; Chen, Hong-Yuan

    2007-09-01

    A method for rapid separation and sensitive determination of three water-soluble vitamins, pyridoxine, ascorbic acid (VC), and p-aminobenzoic acid (PABA) has been developed by PDMS microchannel electrophoresis integrated with amperometric detection. After treatment of the microchip with oxygen plasma, the peak shapes of the three analytes were essentially improved. Pyridoxine, VC, and PABA were well separated within only 80 s in a running buffer of 20 mM borate solution (pH 8.5). Good linearity was obtained within the concentration range of 2-200 microM for the three water-soluble vitamins. The detection limits were 1.0 microM for pyridoxine and VC, and 1.5 microM for PABA. The proposed method has been successfully applied to real human urine sample, without solid phase extraction, with recoveries of 80-122% for the three water-soluble vitamins.

  4. Effect of supplementation of water-soluble vitamins on oxidative stress and blood pressure in prehypertensives.

    Science.gov (United States)

    Talikoti, Prashanth; Bobby, Zachariah; Hamide, Abdoul

    2015-01-01

    The objective of the study was to evaluate the effect of water-soluble vitamins on oxidative stress and blood pressure in prehypertensives. Sixty prehypertensives were recruited and randomized into 2 groups of 30 each. One group received water-soluble vitamins and the other placebo for 4 months. Further increase in blood pressure was not observed in the vitamin group which increased significantly in the placebo group at the end of 4 months. Malonedialdehyde and protein carbonylation were reduced during the course of treatment with vitamins whereas in the placebo group there was an increase in the level of malondialdehyde. In conclusion, supplementation of water-soluble vitamins in prehypertension reduces oxidative stress and its progression to hypertension.

  5. Toxicity of polyhydroxylated fullerene to mitochondria

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Li-Yun [State Key Laboratory of Virology & Key Laboratory of Analytical Chemistry for Biology and Medicine (MOE), College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); Gao, Jia-Ling [Department of Chemistry, College of Chemistry and Environmental Engineering, Yangtze University, Jingzhou 434023 (China); Gao, Tian; Dong, Ping; Ma, Long; Jiang, Feng-Lei [State Key Laboratory of Virology & Key Laboratory of Analytical Chemistry for Biology and Medicine (MOE), College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); Liu, Yi, E-mail: yiliuchem@whu.edu.cn [State Key Laboratory of Virology & Key Laboratory of Analytical Chemistry for Biology and Medicine (MOE), College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China)

    2016-01-15

    Highlights: • Fullerenol-induced mitochondrial dysfunction was investigated at mitochondrial level. • Fullerenol disturbed mitochondrial inner membrane in polar protein regions. • Fullerenol affected the inner membrane and respiration chain of mitochondria. - Abstract: Mitochondrial dysfunction is considered as a crucial mechanism of nanomaterial toxicity. Herein, we investigated the effects of polyhydroxylated fullerene (C{sub 60}(OH){sub 44}, fullerenol), a model carbon-based nanomaterial with high water solubility, on isolated mitochondria. Our study demonstrated that fullerenol enhanced the permeabilization of mitochondrial inner membrane to H{sup +} and K{sup +} and induced mitochondrial permeability transition (MPT). The fullerenol-induced swelling was dose-dependent and could be effectively inhibited by MPT inhibitors such as cyclosporin A (CsA), adenosine diphosphate (ADP), ruthenium red (RR) and ethylenediaminetetraacetic acid (EDTA). After treating the mitochondria with fullerenol, the mitochondrial membrane potential (MMP) was found collapsed in a concentration-independent manner. The fluorescence anisotropy of hematoporphyrin (HP) changed significantly with the addition of fullerenol, while that of 1,6-diphenyl-hexatriene (DPH) changed slightly. Moreover, a decrease of respiration state 3 and increase of respiration state 4 were observed when mitochondria were energized with complex II substrate succinate. The results of transmission electron microscopy (TEM) provided direct evidence that fullerenol damaged the mitochondrial ultrastructure. The investigations can provide comprehensive information to elucidate the possible toxic mechanism of fullerenols at subcellular level.

  6. APPLICATION FULLERENE FOR IDENTIFICATION OF MEAT PRODUCTS CONTAINING KLENBUTEROL

    Directory of Open Access Journals (Sweden)

    G. V. Popov

    2014-01-01

    Full Text Available Summary. In modern conditions the majority of developing livestock complexes, various chemical additives, apply to cattle feeding. One of such preparations is clenbuterol. Clenbuterol is β-2-adrenostimulyator belonging to group β-agonist who stimulate growth of muscular weight and regulate a ratio of fatty and muscular tissue at cultivation of agricultural animals and birds. In Russia results of researches in which it is recommended to apply clenbuterol as a growth factor at cattle cultivation are published. Thus the risk of influences of the residual maintenance of a preparation in animal husbandry production on health of consumers wasn't estimated. We conducted researches in the field of studying of properties fullerene and clenbuterol and their opportunities interaction among themselves. For identification clenbuterol in meat raw materials the synthesis of Prato based on a functionalization fullerene by C60 and C70 consisting in its transformation in fullerene on reactions of a 1,3-dipolar cycloaddition of azomethine ylide on multiple communications of C=C of a fulleren kernel was moved. Reaction took place with allocation of a deposit of the dark color which analysis proved that is a product of interaction of substances investigated by us. This experiment gives the chance to identify clenbuterolfullerene.

  7. Urinary excretion levels of water-soluble vitamins in pregnant and lactating women in Japan.

    Science.gov (United States)

    Shibata, Katsumi; Fukuwatari, Tsutomu; Sasaki, Satoshi; Sano, Mitsue; Suzuki, Kahoru; Hiratsuka, Chiaki; Aoki, Asami; Nagai, Chiharu

    2013-01-01

    Recent studies have shown that the urinary excretion levels of water-soluble vitamins can be used as biomarkers for the nutritional status of these vitamins. To determine changes in the urinary excretion levels of water-soluble vitamins during pregnant and lactating stages, we surveyed and compared levels of nine water-soluble vitamins in control (non-pregnant and non-lactating women), pregnant and lactating women. Control women (n=37), women in the 2nd (16-27 wk, n=24) and 3rd trimester of pregnancy (over 28 wk, n=32), and early- (0-5 mo, n=54) and late-stage lactating (6-11 mo, n=49) women took part in the survey. The mean age of subjects was ~30 y, and mean height was ~160 cm. A single 24-h urine sample was collected 1 d after the completion of a validated, self-administered comprehensive diet history questionnaire to measure water-soluble vitamins or metabolites. The average intake of each water-soluble vitamin was ≍ the estimated average requirement value and adequate intake for the Japanese Dietary Reference Intakes in all life stages, except for vitamin B6 and folate intakes during pregnancy. No change was observed in the urinary excretion levels of vitamin B2, vitamin B6, vitamin B12, biotin or vitamin C among stages. Urine nicotinamide and folate levels were higher in pregnant women than in control women. Urine excretion level of vitamin B1 decreased during lactation and that of pantothenic acid decreased during pregnancy and lactation. These results provide valuable information for setting the Dietary Reference Intakes of water-soluble vitamins for pregnant and lactating women.

  8. Polymer-assisted synthesis of water-soluble PbSe quantum dots

    International Nuclear Information System (INIS)

    Melnig, V.; Apostu, M.-O.; Foca, N.

    2008-01-01

    Stable PbSe quantum dots were synthesised in water-based media using poly(amidehydroxyurethane) water-soluble polymer. The polymer acts like a precursor carrier, blocks the particles aggregation and assures their solubility. Atomic force microscopy data show that the particle radius is smaller than the Bohr radius of PbSe. Interactions studies, performed by Fourier transform IR spectroscopy, show that the quantum dots are capped with poly(amidehydroxyurethane). The proposed synthesis was realised in the absence of any organic solvent. As a result, the produced particles have good water solubility, stability and good arguments to be biologically compatible.

  9. Smart polyelectrolyte microcapsules as carriers for water-soluble small molecular drug.

    Science.gov (United States)

    Song, Weixing; He, Qiang; Möhwald, Helmuth; Yang, Yang; Li, Junbai

    2009-10-15

    Heat treatment is introduced as a simple method for the encapsulation of low molecular weight water-soluble drugs within layer-by-layer assembled microcapsules. A water-soluble drug, procainamide hydrochloride, could thus be encapsulated in large amount and enriched by more than 2 orders of magnitude in the assembled PDADMAC/PSS capsules. The shrunk capsules could control the unloading rate of drugs, and the drugs could be easily unloaded using ultrasonic treatment. The encapsulated amount could be quantitatively controlled via the drug concentration in the bulk. We also found that smaller capsules possess higher encapsulation capability.

  10. Lipid-based formulations for oral administration of poorly water-soluble drugs

    DEFF Research Database (Denmark)

    Mu, Huiling; Holm, René; Müllertz, Anette

    2013-01-01

    Lipid-based drug delivery systems have shown great potentials in oral delivery of poorly water-soluble drugs, primarily for lipophilic drugs, with several successfully marketed products. Pre-dissolving drugs in lipids, surfactants, or mixtures of lipids and surfactants omits the dissolving....../dissolution step, which is a potential rate limiting factor for oral absorption of poorly water-soluble drugs. Lipids not only vary in structures and physiochemical properties, but also in their digestibility and absorption pathway; therefore selection of lipid excipients and dosage form has a pronounced effect...

  11. Bioavailability assessment of the lipophilic benfotiamine as compared to a water-soluble thiamin derivative.

    Science.gov (United States)

    Bitsch, R; Wolf, M; Möller, J; Heuzeroth, L; Grüneklee, D

    1991-01-01

    The bioequivalence of thiamin in 2 therapeutically used preparations was tested in 10 healthy young men. Thiamin was orally administered either as lipophilic benfotiamine or as water-soluble thiamin mononitrate. Biokinetic data, measured as area under the curve and maximal concentration in plasma and hemolysate after ingestion, demonstrated a significantly improved bioavailability from the lipophilic derivative despite an ingested dose of only 40% as compared with the water-soluble salt. A superior cellular efficacy of benfotiamine was also concluded from the short-term stimulation of the thiamin-dependent transketolase activity in erythrocytes.

  12. Studeis on the immobilization of water soluble phosphatic fertilizer in some soils with 32P

    International Nuclear Information System (INIS)

    Zhang Yumei; Li Rensheng; Xu Xinyu

    1985-01-01

    Using superphosphate lablled with 32 P, we studied immobilization of water-soluble phosphatic fertilizer on 12 typies of soil. The experimental result showed that major factors to govern immobilization of water-soluble phosphatic fertilizer are: quickly availible Fe that showed positive correlation with the immobilization when it was 4.64-65.72 ppm; and pH that showed negative correlation with the immobilization when it was between 5.35 and 8.88. CaCO 3 and organic matter showed a great effect on the immobilization though there wasn't obvious correlation among them

  13. Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration

    International Nuclear Information System (INIS)

    Varanasi, S. R.; John, A.; Guskova, O. A.; Sommer, J.-U.

    2015-01-01

    Fullerene C 60 sub-colloidal particle with diameter ∼1 nm represents a boundary case between small and large hydrophobic solutes on the length scale of hydrophobic hydration. In the present paper, a molecular dynamics simulation is performed to investigate this complex phenomenon for bare C 60 fullerene and its amphiphilic/charged derivatives, so called shape amphiphiles. Since most of the unique properties of water originate from the pattern of hydrogen bond network and its dynamics, spatial, and orientational aspects of water in solvation shells around the solute surface having hydrophilic and hydrophobic regions are analyzed. Dynamical properties such as translational-rotational mobility, reorientational correlation and occupation time correlation functions of water molecules, and diffusion coefficients are also calculated. Slower dynamics of solvent molecules—water retardation—in the vicinity of the solutes is observed. Both the topological properties of hydrogen bond pattern and the “dangling” –OH groups that represent surface defects in water network are monitored. The fraction of such defect structures is increased near the hydrophobic cap of fullerenes. Some “dry” regions of C 60 are observed which can be considered as signatures of surface dewetting. In an effort to provide molecular level insight into the thermodynamics of hydration, the free energy of solvation is determined for a family of fullerene particles using thermodynamic integration technique

  14. Relationship Between Urinary Concentrations of Nine Water-soluble Vitamins and their Vitamin Intakes in Japanese Adult Males

    OpenAIRE

    Shibata, Katsumi; Hirose, Junko; Fukuwatari, Tsutomu

    2014-01-01

    Excess water-soluble vitamins are thought to be eliminated in the urine. We have reported a strong relationship between water-soluble vitamin intake and urinary excretion in females. The relationship, however, is not well understood in males. In the present experiment, 10 Japanese male subjects were given a standard Japanese diet for the first week. The subjects remained on the same diet, and a synthesized water-soluble vitamin mixture containing one time the Dietary Reference Intakes (DRIs) ...

  15. Effects of C60 nanoparticle exposure on earthworms (Lumbricus rubellus) and implications for population dynamics

    International Nuclear Information System (INIS)

    Ploeg, M.J.C. van der; Baveco, J.M.; Hout, A. van der; Bakker, R.; Rietjens, I.M.C.M.; Brink, N.W. van den

    2011-01-01

    Effects of C 60 nanoparticles (nominal concentrations 0, 15.4 and 154 mg/kg soil) on mortality, growth and reproduction of Lumbricus rubellus earthworms were assessed. C 60 exposure had a significant effect on cocoon production, juvenile growth rate and mortality. These endpoints were used to model effects on the population level. This demonstrated reduced population growth rate with increasing C 60 concentrations. Furthermore, a shift in stage structure was shown for C 60 exposed populations, i.e. a larger proportion of juveniles. This result implies that the lower juvenile growth rate due to exposure to C 60 resulted in a larger proportion of juveniles, despite increased mortality among juveniles. Overall, this study indicates that C 60 exposure may seriously affect earthworm populations. Furthermore, it was demonstrated that juveniles were more sensitive to C 60 exposure than adults. - C 60 nanoparticle exposure can affect Lumbricus rubellus populations.

  16. Potentiometric urea biosensor based on an immobilised fullerene-urease bio-conjugate.

    Science.gov (United States)

    Saeedfar, Kasra; Heng, Lee Yook; Ling, Tan Ling; Rezayi, Majid

    2013-12-06

    A novel method for the rapid modification of fullerene for subsequent enzyme attachment to create a potentiometric biosensor is presented. Urease was immobilized onto the modified fullerene nanomaterial. The modified fullerene-immobilized urease (C60-urease) bioconjugate has been confirmed to catalyze the hydrolysis of urea in solution. The biomaterial was then deposited on a screen-printed electrode containing a non-plasticized poly(n-butyl acrylate) (PnBA) membrane entrapped with a hydrogen ionophore. This pH-selective membrane is intended to function as a potentiometric urea biosensor with the deposition of C60-urease on the PnBA membrane. Various parameters for fullerene modification and urease immobilization were investigated. The optimal pH and concentration of the phosphate buffer for the urea biosensor were 7.0 and 0.5 mM, respectively. The linear response range of the biosensor was from 2.31 × 10-3 M to 8.28 × 10-5 M. The biosensor's sensitivity was 59.67 ± 0.91 mV/decade, which is close to the theoretical value. Common cations such as Na+, K+, Ca2+, Mg2+ and NH4+ showed no obvious interference with the urea biosensor's response. The use of a fullerene-urease bio-conjugate and an acrylic membrane with good adhesion prevented the leaching of urease enzyme and thus increased the stability of the urea biosensor for up to 140 days.

  17. In the search of an electron transfer between π-donors and C60: the bis-linking of tetrathiafulvalene (TTF) to C60

    International Nuclear Information System (INIS)

    Hudhomme, P.; Rabreau, J.M.; Cariou, M.; Jubault, M.; Gorgues, A.

    1998-01-01

    In order to realize the bis-linking of tetrathiafulvalene (TTF) to one or two C 60 , and to reach the dyad compounds 1 and 2, the [4+2] Diels-Alder reactions of C 60 with orthoquinodimethanic derivatives of 1,3-dithioles 5a,b or TTF 9 are studied. (orig.)

  18. Electronic transitions and band offsets in C60:SubPc and C60:MgPc on MoO3 studied by modulated surface photovoltage spectroscopy

    International Nuclear Information System (INIS)

    Fengler, S.; Dittrich, Th.; Rusu, M.

    2015-01-01

    Electronic transitions at interfaces between MoO 3 layers and organic layers of C 60 , SubPc, MgPc, and nano-composite layers of SubPc:C 60 and MgPc:C 60 have been studied by modulated surface photovoltage (SPV) spectroscopy. For all systems, time dependent and modulated SPV signals pointed to dissociation of excitons at the MoO 3 /organic layer interfaces with a separation of holes towards MoO 3 . The highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps (E HL ) of C 60 , SubPc, and MgPc and the effective E HL of SubPc:C 60 and MgPc:C 60 were measured. The offsets between the LUMO (ΔE L ) or HOMO (ΔE H ) bands were obtained with high precision and amounted to 0.33 or 0.73 eV for SubPc:C 60 , respectively, and to −0.33 or 0.67 eV for MgPc:C 60 , respectively. Exponential tails below E HL and most pronounced sub-bandgap transitions were characterized and ascribed to disorder and transitions from HOMO bands to unoccupied defect states

  19. Degradation of interface between boron subphthalocyanine chloride and fullerene

    International Nuclear Information System (INIS)

    Lo, Ming-Fai; Guan, Zhi-Qiang; Chan, Chiu-Yee; Ng, Tsz-Wai; Lee, Chun-Sing

    2015-01-01

    Highlights: • SubPc/C 60 device shows a fast Voc decade upon operation. • The HOMO-LUMO offset at a SubPc/C60 heterojunction decreases from 1.66 to 1.45 eV upon aging in UHV. • It is caused by internal deterioration of the donor/acceptor interface. - Abstract: Apart from external environmental factors, we herein show with ultra-violet photoemission spectroscopy (UPS) studies that degradation in organic photovoltaic (OPV) devices can also be caused by internal deterioration of the donor/acceptor interface. Albeit with impressive initial open circuit voltage (Voc), boron subphthalocyanine chloride (SubPc)/fullerene (C 60 ) device shows a fast Voc decade upon operation. UPS results show that the energy offset between the highest occupied molecular orbit (HOMO) of SubPc and the lowest unoccupied molecular orbit (LUMO) of C 60 is reduced from 1.66 to 1.45 eV after aging in ultra-high vacuum (UHV) condition. This result is consistent with the change in built-in voltage of the corresponding device upon operation. The related charge interaction and degradation mechanism in the SubPc/C 60 device are discussed.

  20. Pyrrolidinium fullerene induces apoptosis by activation of procaspase-9 via suppression of Akt in primary effusion lymphoma

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Tadashi [Department of Cell Biology, Kyoto Pharmaceutical University, Misasagi-Shichonocho 1, Yamashinaku, Kyoto 607-8412 (Japan); Nakamura, Shigeo [Department of Chemistry, Nippon Medical School, 1-7-1 Kyonan-cho, Musashino, Tokyo 180-0023 (Japan); Ono, Toshiya; Ui, Sadaharu [Department of Biotechnology, Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi, Kofu 400-8511 (Japan); Yagi, Syota; Kagawa, Hiroki [Department of Cell Biology, Kyoto Pharmaceutical University, Misasagi-Shichonocho 1, Yamashinaku, Kyoto 607-8412 (Japan); Watanabe, Hisami [Center of Molecular Biosciences, Tropical Biosphere Research Center, University of the Ryukyus, 1 Senbaru, Nishihara-cho, Okinawa 903-0213 (Japan); Ohe, Tomoyuki; Mashino, Tadahiko [Department of Pharmaceutical Sciences, Faculty of Pharmacy, Keio University, 1-5-30 Shibakoen, Minato-ku, Tokyo 105-8512 (Japan); Fujimuro, Masahiro, E-mail: fuji2@mb.kyoto-phu.ac.jp [Department of Cell Biology, Kyoto Pharmaceutical University, Misasagi-Shichonocho 1, Yamashinaku, Kyoto 607-8412 (Japan)

    2014-08-15

    Highlights: • Seven fullerenes were evaluated in terms of their cytotoxic effects on B-lymphomas. • Pyrrolidinium fullerene induced apoptosis of KSHV-infected B-lymphoma PEL cells. • The activation of Akt is essential for PEL cell survival. • Pyrrolidinium fullerene activated caspase-9 by inactivating Akt in PEL cells. • Pyrrolidinium fullerene have potential as novel drugs for the treatment of PEL. - Abstract: Primary effusion lymphoma (PEL) is a subtype of non-Hodgkin’s B-cell lymphoma and is an aggressive neoplasm caused by Kaposi’s sarcoma-associated herpesvirus (KSHV) in immunosuppressed patients. In general, PEL cells are derived from post-germinal center B-cells and are infected with KSHV. To evaluate potential novel anti-tumor compounds against KSHV-associated PEL, seven water-soluble fullerene derivatives were evaluated as potential drug candidates for the treatment of PEL. Herein, we discovered a pyrrolidinium fullerene derivative, 1,1,1′,1′-tetramethyl [60]fullerenodipyrrolidinium diiodide, which induced apoptosis of PEL cells via a novel mechanism, the caspase-9 activation by suppressing the caspase-9 phosphorylation, causing caspase-9 inactivation. Pyrrolidinium fullerene treatment reduced significantly the viability of PEL cells compared with KSHV-uninfected lymphoma cells, and induced the apoptosis of PEL cells by activating caspase-9 via procaspase-9 cleavage. Pyrrolidinium fullerene additionally reduced the Ser473 phosphorylation of Akt and Ser196 of procaspase-9. Ser473-phosphorylated Akt (i.e., activated Akt) phosphorylates Ser196 in procaspase-9, causing inactivation of procaspase-9. We also demonstrated that Akt inhibitors suppressed the proliferation of PEL cells compared with KSHV-uninfected cells. Our data therefore suggest that Akt activation is essential for cell survival in PEL and a pyrrolidinium fullerene derivative induced apoptosis by activating caspase-9 via suppression of Akt in PEL cells. In addition, we evaluated

  1. Pyrrolidinium fullerene induces apoptosis by activation of procaspase-9 via suppression of Akt in primary effusion lymphoma

    International Nuclear Information System (INIS)

    Watanabe, Tadashi; Nakamura, Shigeo; Ono, Toshiya; Ui, Sadaharu; Yagi, Syota; Kagawa, Hiroki; Watanabe, Hisami; Ohe, Tomoyuki; Mashino, Tadahiko; Fujimuro, Masahiro

    2014-01-01

    Highlights: • Seven fullerenes were evaluated in terms of their cytotoxic effects on B-lymphomas. • Pyrrolidinium fullerene induced apoptosis of KSHV-infected B-lymphoma PEL cells. • The activation of Akt is essential for PEL cell survival. • Pyrrolidinium fullerene activated caspase-9 by inactivating Akt in PEL cells. • Pyrrolidinium fullerene have potential as novel drugs for the treatment of PEL. - Abstract: Primary effusion lymphoma (PEL) is a subtype of non-Hodgkin’s B-cell lymphoma and is an aggressive neoplasm caused by Kaposi’s sarcoma-associated herpesvirus (KSHV) in immunosuppressed patients. In general, PEL cells are derived from post-germinal center B-cells and are infected with KSHV. To evaluate potential novel anti-tumor compounds against KSHV-associated PEL, seven water-soluble fullerene derivatives were evaluated as potential drug candidates for the treatment of PEL. Herein, we discovered a pyrrolidinium fullerene derivative, 1,1,1′,1′-tetramethyl [60]fullerenodipyrrolidinium diiodide, which induced apoptosis of PEL cells via a novel mechanism, the caspase-9 activation by suppressing the caspase-9 phosphorylation, causing caspase-9 inactivation. Pyrrolidinium fullerene treatment reduced significantly the viability of PEL cells compared with KSHV-uninfected lymphoma cells, and induced the apoptosis of PEL cells by activating caspase-9 via procaspase-9 cleavage. Pyrrolidinium fullerene additionally reduced the Ser473 phosphorylation of Akt and Ser196 of procaspase-9. Ser473-phosphorylated Akt (i.e., activated Akt) phosphorylates Ser196 in procaspase-9, causing inactivation of procaspase-9. We also demonstrated that Akt inhibitors suppressed the proliferation of PEL cells compared with KSHV-uninfected cells. Our data therefore suggest that Akt activation is essential for cell survival in PEL and a pyrrolidinium fullerene derivative induced apoptosis by activating caspase-9 via suppression of Akt in PEL cells. In addition, we evaluated

  2. Hindered rotation of a copper phthalocyanine molecule on C60 : Experiments and molecular mechanics calculations

    NARCIS (Netherlands)

    Fendrich, M.; Wagner, Th.; Stöhr, M.; Möller, R.

    2006-01-01

    If copper phthalocyanine (CuPc) molecules are deposited on a Au(111) surface covered with a monolayer of C60, the molecules are found to adsorb individually onto the close-packed layer of C60. As the adsorption site of the CuPc is not symmetric with respect to the underlying C60 layer, the CuPc

  3. Electron transfer and energy transfer reactions in photoexcited a-nonathiophene/C60 films and solutions

    NARCIS (Netherlands)

    Janssen, R.A.J.; Moses, D.; Sariciftci, N.S.; Heeger, A.J.

    1994-01-01

    Photoexcitation of a nonathiophene in film or solution across the p-p* energy gap produces a metastable triplet state. In the presence of C60, on the other hand, an ultra fast electron transfer from the photoexcited nonathiophene onto C60 is observed in films, whereas in solution C60 is involved in

  4. Identifying the source of a strong fullerene envelope arising from laser desorption mass spectrometric analysis of meteoritic insoluble organic matter

    Science.gov (United States)

    Hammond, Matthew R.; Zare, Richard N.

    2008-11-01

    Insoluble organic matter (IOM) has been obtained from two carbonaceous chondrite meteorites and subjected to analysis by laser desorption mass spectrometry (LDMS) using standard operating conditions that were optimized for fullerene detection (3-6 μJ pulses at 337 nm focused to a spot size of approximately 100 μm in diameter). The preparation process yields no free C 60 in the IOM, and other experiments suggest that this material does not contain appreciable amounts of fullerenes. Nevertheless, a pronounced high-mass envelope is observed in LDMS, extending from 720 amu to about 4000 amu, with peaks spaced apart every 24 amu (corresponding to the gain or loss of C 2 units). We attribute this high-mass envelope to the existence of various fullerene molecules. The present work demonstrates that these fullerene molecules are created by the laser desorption laser ionization process under typical laser conditions used for studying free fullerenes in organic solvent extracts of natural samples (toluene and 1,2,4-trichlorobenzene). The implications of this false positive detection of fullerene molecules on the reports of fullerenes in other meteoritic samples have been investigated by introducing IOM into typical fullerene extraction procedures and examining the LDMS results. We found that IOM is capable of producing false positive signals in these experiments. The effect of ambient laboratory contamination producing fullerene signals is also described. It is found that extensive centrifugation of the meteoritic extracts is able to reduce the observed fullerene envelope, which points to an association of this envelope with IOM particulates that have passed through the filtering steps. We suggest the exercise of extreme caution in interpreting fullerene data from LDMS experiments.

  5. Structure of fullerene aggregates in pyridine/water solutions by small-angle neutron scattering

    International Nuclear Information System (INIS)

    Aksenov, V.L.; Belushkin, A.V.; Avdeev, M.V.; Rosta, L.; Mihailovic, D.; Mrzel, A.; Serdyuk, I.N.; Timchenko, A.A.

    2001-01-01

    Results of small-angle neutron scattering experiments on fullerenes (C 60 ) in pyridine/water solutions are reported. They confirm conclusions of the previous studies, in particular, dynamic light scattering experiments. Aggregates with characteristic radius of about 20 nm are formed in the solutions. The contrast variation using different combinations of protonated/deuterated components (water and pyridine) of the solutions points to the small pyridine content inside the aggregates. This fact testifies that the aggregates consist of a massive fullerene core covered by a thin pyridine shell

  6. Fullerene films and fullerene-dodecylamine adduct monolayers at air-water interfaces studied by neutron and x-ray reflection

    DEFF Research Database (Denmark)

    Wang, J.Y.; Vaknin, D.; Uphaus, R.A.

    1994-01-01

    Neutron and X-ray reflection measurements and surface pressure isotherms of spread films of the fullerene-dodecylamine adduct C60-[NH2(CH2)11CH3]x all indicate that this material may form monomolecular layers on water surfaces. The reflection data sets (neutron on both H2O and D2O) can be accounted...... for by a single model structure defined in terms of the dimensions of an average cell and its chemical composition. This model ascribes a total thickness of about 29 angstrom to the molecular interface layer with the following internal structure. The fullerenes (with several alkyl chains attached) form a central...... stratum and the remainder alkyl tails are located close to both the air and the water interfaces. The alkyl moieties close to the aqueous substrate are hydrated. The reflection experiments and the isotherms suggest that on average 8 +/- 3 dodecylamine molecules are present per fullerene, consistent within...

  7. 2D-QSAR study of fullerene nanostructure derivatives as potent HIV-1 protease inhibitors

    Science.gov (United States)

    Barzegar, Abolfazl; Jafari Mousavi, Somaye; Hamidi, Hossein; Sadeghi, Mehdi

    2017-09-01

    The protease of human immunodeficiency virus1 (HIV-PR) is an essential enzyme for antiviral treatments. Carbon nanostructures of fullerene derivatives, have nanoscale dimension with a diameter comparable to the diameter of the active site of HIV-PR which would in turn inhibit HIV. In this research, two dimensional quantitative structure-activity relationships (2D-QSAR) of fullerene derivatives against HIV-PR activity were employed as a powerful tool for elucidation the relationships between structure and experimental observations. QSAR study of 49 fullerene derivatives was performed by employing stepwise-MLR, GAPLS-MLR, and PCA-MLR models for variable (descriptor) selection and model construction. QSAR models were obtained with higher ability to predict the activity of the fullerene derivatives against HIV-PR by a correlation coefficient (R2training) of 0.942, 0.89, and 0.87 as well as R2test values of 0.791, 0.67and 0.674 for stepwise-MLR, GAPLS-MLR, and PCA -MLR models, respectively. Leave-one-out cross-validated correlation coefficient (R2CV) and Y-randomization methods confirmed the models robustness. The descriptors indicated that the HIV-PR inhibition depends on the van der Waals volumes, polarizability, bond order between two atoms and electronegativities of fullerenes derivatives. 2D-QSAR simulation without needing receptor's active site geometry, resulted in useful descriptors mainly denoting ;C60 backbone-functional groups; and ;C60 functional groups; properties. Both properties in fullerene refer to the ligand fitness and improvement van der Waals interactions with HIV-PR active site. Therefore, the QSAR models can be used in the search for novel HIV-PR inhibitors based on fullerene derivatives.

  8. Synthesis of phthalocyanines-ALA conjugates: water-soluble compounds with low aggregation.

    Science.gov (United States)

    de Oliveira, Kleber T; de Assis, Francisco F; Ribeiro, Anderson O; Neri, Claudio R; Fernandes, Adjaci U; Baptista, Mauricio S; Lopes, Norberto P; Serra, Osvaldo A; Iamamoto, Yassuko

    2009-10-16

    Syntheses of two water-soluble phthalocyanines (Pc) containing 5-aminolevulinic acid (ALA) linked to the core structure are described. These compounds were prepared by using original functionalizations, and they present remarkable structural and photophysical features, indicating that they could be applied to photodynamic therapy (PDT).

  9. Profiling and relationship of water-soluble sugar and protein compositions in soybean seeds.

    Science.gov (United States)

    Yu, Xiaomin; Yuan, Fengjie; Fu, Xujun; Zhu, Danhua

    2016-04-01

    Sugar and protein are important quality traits in soybean seeds for making soy-based food products. However, the investigations on both compositions and their relationship have rarely been reported. In this study, a total of 35 soybean germplasms collected from Zhejiang province of China, were evaluated for both water-soluble sugar and protein. The total water-soluble sugar (TWSS) content of the germplasms studied ranged from 84.70 to 140.91 mg/g and the water-soluble protein (WSP) content varied from 26.5% to 36.0%. The WSP content showed positive correlations with the TWSS and sucrose contents but negative correlations with the fructose and glucose contents. The clustering showed the 35 germplasms could be divided into four groups with specific contents of sugar and protein. The combination of water-soluble sugar and protein profiles provides useful information for future breeding and genetic research. This investigation will facilitate future work for seed quality improvement. Copyright © 2015. Published by Elsevier Ltd.

  10. Consequences of chirality on the dynamics of a water-soluble supramolecular polymer

    NARCIS (Netherlands)

    Baker, M.B.; Albertazzi, L.; Voets, Ilja K.; Leenders, C.M.A.; Palmans, A.R.A.; Pavan, G.M.; Meijer, E. W.

    2015-01-01

    The rational design of supramolecular polymers in water is imperative for their widespread use, but the design principles for these systems are not well understood. Herein, we employ a multi-scale (spatial and temporal) approach to differentiate two analogous water-soluble supramolecular polymers:

  11. pKa Determination of water-soluble calix[4]arenes

    NARCIS (Netherlands)

    Shinkai, Seiji; Araki, Koji; Grootenhuis, P.D.J.; Reinhoudt, David

    1991-01-01

    Neutral, water-soluble 5,11,17,23-tetrakis[bis-(2-hydroxyethyl)aminosulphonyl]calix[4]arene-25,26,27,28-tetraol and 5,11,17,23-tetranitrocalix[4]arene-25,26,27,28-tetraol have been synthesized and the pKa values of the OH groups determined in an aqueous system.

  12. Processes controlling the production of aromatic water-soluble organic matter during litter decomposition

    NARCIS (Netherlands)

    Klotzbücher, T.; Kaiser, K.; Filley, T.R.; Kalbitz, K.

    2013-01-01

    Dissolved organic matter (DOM) plays a fundamental role for many soil processes. For instance, production, transport, and retention of DOM control properties and long-term storage of organic matter in mineral soils. Production of water-soluble compounds during the decomposition of plant litter is a

  13. Case study of water-soluble metal containing organic constituents of biomass burning aerosol

    Science.gov (United States)

    Alexandra L. Chang-Graham; Luisa T. M. Profeta; Timothy J. Johnson; Robert J. Yokelson; Alexander Laskin; Julia Laskin

    2011-01-01

    Natural and prescribed biomass fires are a major source of aerosols that may persist in the atmosphere for several weeks. Biomass burning aerosols (BBA) can be associated with long-range transport of water-soluble N-, S-, P-, and metal-containing species. In this study, BBA samples were collected using a particle-into-liquid sampler (PILS) from laboratory burns of...

  14. Fluorescent Water Soluble Polymers for Isozyme-Selective Interactions with Matrix Metalloproteinase-9

    Science.gov (United States)

    Dutta, Rinku; Scott, Michael D.; Haldar, Manas K.; Ganguly, Bratati; Srivastava, D. K.; Friesner, Daniel L.; Mallik, Sanku

    2011-01-01

    Matrix metalloproteinases (MMPs) are overexpressed in various pathological conditions, including various cancers. Although these isozymes have similar active sites, the patterns of exposed amino acids on their surfaces are different. Herein, we report the synthesis and molecular interactions of two water-soluble, fluorescent polymers which demonstrate selective interactions with MMP-9 compared to MMP-7 and -10. PMID:21367603

  15. Testing water-soluble carbohydrate QTL effects in perennial ryegrass (Lolium perenne L.) by marker selection

    NARCIS (Netherlands)

    Turner, L.B.; Farrell, M.; Humphreys, M.O.; Dolstra, O.

    2010-01-01

    Water-soluble carbohydrates (WSC) are an important factor determining the nutritional value of grass forage and development of genetic markers for selection of WSC traits in perennial ryegrass would benefit future breeding programmes. Quantitative trait loci (QTLs) for WSC have been published for an

  16. Antioxidative activity of water soluble polysaccharide in pumpkin fruits (Cucurbita maxima Duchesne).

    Science.gov (United States)

    Nara, Kazuhiro; Yamaguchi, Akira; Maeda, Naomi; Koga, Hidenori

    2009-06-01

    We evaluated the antioxidative activity of a water soluble polysaccharide fraction (WSP) from pumpkin fruits (Cucurbita maxima Duchesne). In the WSP, DPPH radical scavenging and superoxide dismutase-like activity increased depending on the total sugar content. Furthermore, the WSP can serve as an inhibitor of ascorbic acid oxidation. The efficacy was also affected by the total sugar content.

  17. Cross-linking of dermal sheep collagen using a water-soluble carbodiimide

    NARCIS (Netherlands)

    Damink, LHHO; Dijkstra, PJ; vanLuyn, MJA; vanWachem, PB; Nieuwenhuis, P; Feijen, J

    A cross-linking method for collagen-based biomaterials was developed using the water-soluble carbodiimide 1-ethyl-3-(3-dimethyl aminopropyl)carbodiimide hydrochloride (EDC). Cross-linking using EDC involves the activation of carboxylic acid groups to give O-acylisourea groups, which form cross-links

  18. In vitro degradation of dermal sheep collagen cross-linked using a water-soluble carbodiimide

    NARCIS (Netherlands)

    Damink, LHHO; Dijkstra, PJ; vanLuyn, MJA; vanWachem, PB; Nieuwenhuis, P; Feijen, J

    Bacterial collagenase was used to study the susceptibility of dermal sheep collagen (DSC) cross-inked with a mixture of the water-soluble carbodiimide 1-ethyl-3-(3-dimethyl aminopropyl)carbodiimide hydrochloride and N-hydroxysuccinimide (EIN-DSC) towards enzymatic degradation. Contrary to

  19. Cross-linking of dermal sheep collagen using a water-soluble carbodiimide

    NARCIS (Netherlands)

    Olde damink, L.H.H.; Olde Damink, L.H.H.; Dijkstra, Pieter J.; van Luyn, M.J.A.; van Wachem, P.B.; Nieuwenhuis, P.; Feijen, Jan

    1996-01-01

    A cross-linking method for collagen-based biomaterials was developed using the water-soluble carbodiimide 1-ethyl-3-(3-dimethyl aminopropyl)carbodiimide hydrochloride (EDC). Cross-linking using EDC involves the activation of carboxylic acid groups to give O-acylisourea groups, which form cross-links

  20. 40 CFR 799.6786 - TSCA water solubility: Generator column method.

    Science.gov (United States)

    2010-07-01

    ... b, using a linear regression equation of C vs. R in the following form: Equation 4: ER15DE00.062... address in paragraph (e) of this section. (b) Introduction—(1) Purpose. (i) The water solubility of a... peak area to volume injected and, from the regression equation of the calibration line, determine the...