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  • 1
    Electronic Resource
    Electronic Resource
    The geometry of small fullerene cages: C20 to C70 (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 5007-5011 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ground-state structures of small fullerenes below C70 were determined by tight-binding molecular-dynamics total energy optimization. An efficient simulated annealing scheme was used to generate closed, hollow, spheroidal cage structures for all even-numbered carbon clusters from C20 to C70. As a general trend, fullerenes prefer geometries which separate the pentagonal rings as far apart as possible. Except for C60, C70, and C50, most fullerenes have relatively low symmetries.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.463854
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  • 2
    Electronic Resource
    Electronic Resource
    Search for the ground-state structure of C84 (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 7183-7185 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Using a well-tested tight-binding potential, we have studied all twenty-four isolated-pentagon isomers of the C84 fullerene. Unlike C76, the helical D2 isomer of C84 is energetically very unfavorable. Two isomers which have D2 and D2d symmetries are found to be much more stable than the rest. The energies of these two isomers are so close that they may coexist in synthesis.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462532
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  • 3
    Electronic Resource
    Electronic Resource
    Disintegration and formation of fullerene (C60) (1992)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 96 (1992), S. 3563-3565 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100188a001
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  • 4
    Electronic Resource
    Electronic Resource
    Tight-binding molecular-dynamics simulation of buckyball collisions (1993)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 97 (1993), S. 3134-3138 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100115a012
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  • 5
    Electronic Resource
    Electronic Resource
    The geometry of large fullerene cages: C72 to C102 (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 3095-3102 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Combining an efficient simulated annealing scheme for generating closed, hollow, spheroidal cage structures with a tight-binding molecular-dynamics method for energy optimization, the ground-state structure of every even-numbered carbon fullerene from C72 to C102 is determined. As a general trend, most ground-state structures of the large fullerenes have relatively low symmetries. In many cases, several isomers of a fullerene are found to have competitively low energies, which suggests that a mixture of these isomers can be observed in experimental prepared samples.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.464084
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  • 6
    Electronic Resource
    Electronic Resource
    Dose Dependence and Time Course of Smoke Inhalation Injury in a Rabbit Model (1999)
    Springer
    Lung 177 (1999), S. 111-122 
    Details
    ISSN: 1432-1750
    Keywords: Key words: Lung pathology—Pulmonary functions—Alveolar macrophage.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract. The dose dependence and time course of smoke inhalation injury were determined in a rabbit model. Animals were insufflated with 18–90 breaths of cotton smoke or room air (control) at a rate of 18 breaths/min and tidal volume of 12 ml/kg. Smoke-exposed animals exhibited dose-related histologic effects with progressive deterioration of respiratory function during the postexposure period of observation (96 h). The smoke-exposed rabbits had reproducible injuries to both airway mucosa and lung parenchyma, manifested by disruption and sloughing of airway and alveolar epithelia, and exudation of protein-rich fluid and leukocytes into the airway and alveolar spaces. Significant effects were evident by 24 h postexposure. Smoke inhalation also affected the respiratory burst of alveolar macrophages. Generation of superoxide anions by alveolar macrophages at 48 h postexposure was increased significantly after smoke inhalation (54 breaths). The present rabbit model should be useful for studying the interactions between pulmonary epithelial cells and leukocytes after smoke inhalation and for determining the role that abnormal functioning of alveolar macrophages plays in the development of smoke inhalation injury.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/PL00007630
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  • 7
    Electronic Resource
    Electronic Resource
    Evidence for pH Sensitivity of Tumor Necrosis Factor-α Release by Alveolar Macrophages (1998)
    Springer
    Lung 176 (1998), S. 111-121 
    Details
    ISSN: 1432-1750
    Keywords: Key words: Cytokine—V-ATPase—Na+/H+ exchange—Bafilomycin A1—Amiloride.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract. Alveolar macrophages (mφ) participate in inflammatory and immune responses in acidic microenvironments such as the interstitial fluids of tumors and abscesses. Two plasmalemmal H+ extruders interact to control the acid-base status of alveolar mφ, namely a V-type H+ pump (V-ATPase) and a Na+/H+ exchanger. The present study examined the effects of extracellular pH (pHo) and H+ transport inhibitors on tumor necrosis factor-α (TNF-α) release induced by endotoxin (lipopolysaccharide) in rabbit alveolar mφ. The amount and activity of TNF-α in mφ-conditioned media were determined by enzyme-linked immunosorbent assay and L929 fibroblast bioassay, respectively. TNF-α release was suppressed progressively at lower pHo values (≤7.0). Also, bafilomycin A1 (a specific inhibitor of V-ATPases) significantly reduced the amount and activity of TNF-α in mφ-conditioned media (pHo 7.4). However, bafilomycin caused a significant increase in the nonspecific cytotoxicity (i.e. bioactivity insensitive to TNF-α antibody) of mφ-conditioned media. The effects of bafilomycin specifically on TNF-α release followed a time course similar to that of acidic pHo, suggesting that both treatments acted on similar events in the lipopolysaccharide signal transduction pathway. Amiloride (an inhibitor of Na+ transporters including the Na+/H+ exchanger) also suppressed TNF-α release but displayed a time course of action different from the acidic pHo or bafilomycin.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/PL00007593
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  • 8
    Electronic Resource
    Electronic Resource
    Cotton Smoke Inhalation Primes Alveolar Macrophages for Tumor Necrosis Factor-α Production and Suppresses Macrophage Antimicrobial Activities (1998)
    Springer
    Lung 176 (1998), S. 325-336 
    Details
    ISSN: 1432-1750
    Keywords: Key words: Tumor necrosis factor-α—Phagocytosis—Acute lung injury—Rabbit.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract. The present study determined the effects of cotton smoke inhalation on the functioning of alveolar macrophages (mφ). Smoke inhalation led to dose-dependent impairment of respiratory gas exchange by 48 h postexposure and pulmonary edema by 96 h. Maximal effects were observed in animals ventilated with 54 breaths of cotton smoke (3-min exposure, 18 breaths/min). Macrophages were obtained at 48 h postexposure by bronchoalveolar lavage of rabbits subjected to 54 breaths of smoke or room air (control). Phagocytosis of opsonized bacteria and adherence to solid substratum were reduced in smoke-exposed mφ. Smoke inhalation primed mφ for release of tumor necrosis factor-α (TNF-α) induced by lipopolysaccharide (LPS). Smoke-exposed mφ were also primed for TNF-α release induced by phorbol myristate acetate, which suggests that the priming event occurred downstream of protein kinase C activation in the signal transduction pathway. Further, smoke exposure attenuated the inhibitory effects of phosphodiesterase inhibitors on LPS-induced TNF-α release. Thus, the priming event may be mediated through cAMP and/or protein kinase A. The data indicate that cotton smoke inhalation suppresses the antimicrobial activities of alveolar mφ and can lead to excessive mφ production of TNF-α. These mφ effects would be expected to contribute to the pathophysiological abnormalities associated with smoke inhalation injury.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/PL00007614
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  • 9
    Electronic Resource
    Electronic Resource
    Tight-binding molecular dynamics for materials simulations (1996)
    Springer
    Journal of computer-aided materials design 3 (1996), S. 139-148 
    Details
    ISSN: 1573-4900
    Keywords: Tight-binding molecular dynamics ; Silicon ; Carbon
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Summary Tight-binding molecular dynamics has recently emerged as a useful method for atomistic simulation of the structural, dynamical and electronic properties of realistic materials. The method incorporates quantum-mechanical calculations into molecular dynamics through an empirical tight-binding Hamiltonian and bridges the gap between ab initio molecular dynamics and simulations using empirical classical potentials. In this paper, we review the accuracy, efficiency, and predictive power of the method and discuss some opportunities and challenges for future development.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01185646
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  • 10
    Electronic Resource
    Electronic Resource
    Structural and electronic properties of large fullerenes (1993)
    Springer
    The European physical journal 26 (1993), S. 264-266 
    Details
    ISSN: 1434-6079
    Keywords: 36.40.+d ; 33.10.−n ; 34.20.cf
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We present the results of a first-principles calculation for the geometrical and electronic structure of C78 and C84 fullerene isomers. Our study confirms that for C84 two isomers withD 2 andD 2d symmetries are the most energetically favorable, and for C78 aC 2v isomer is the ground-state configuration. Results from the present calculation are compared with recent experimental observations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01425685
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