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  • 1
    Electronic Resource
    Electronic Resource
    A study of the neon–methane interaction potential as determined from low energy molecular beam experiments (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 3410-3418 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An exhaustive search of the parameter space for the Ne–CH4 interaction potential is made in an attempt to determine a potential which will reproduce the results of molecular beam scattering experiments. The experiments were performed at low energy, well below the threshold for vibrational excitation. It is shown that the effects of the long-range part of the potential were not seen in the experiment. It is further shown that the anisotropy is well represented as far as the experiments are concerned by a fourth rank expansion. In the light of this and earlier studies, it is concluded that a rigid top model for methane is not capable of describing the experimental results even though the collision energy is well below the threshold for vibrational excitation. This is in marked contrast to atom–diatomic molecule scattering.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457852
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  • 2
    Electronic Resource
    Electronic Resource
    Close-coupling and coupled states calculation of low energy He–CH4 and Ne–CH4 collisions (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 2840-2847 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Exact close-coupling calculations are used to evaluate the effectiveness of the coupled states approximation in the interpretation of low energy, noble gas methane collisions. The effect of the higher order angle dependent terms of the potential on the inelastic rotational transition was investigated. Calculations using only open channel basis functions were clearly different from converged calculations, but the differences were small enough to be negligible in comparison with experiment. It was shown that open channel coupled states calculations are of sufficient accuracy to evaluate the agreement of the potential model with experiment. The use of the coupled states approximation does not fully account for discrepancies between theory and experiment observed earlier.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456953
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  • 3
    Electronic Resource
    Electronic Resource
    Anisotropic rigid rotor potential energy function for H2O–H2 (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 5824-5830 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have calculated the interaction for H2O–H2 at 722 points on a five-dimensional surface where both molecules are treated as rigid rotators and we have fitted the ab initio points to a 48-term angular expansion of products of spherical harmonics and rotation matrices. The resulting potential energy function shows strong angle dependence with a large contribution from electrostatic interactions. When averaged over H2 orientations, the resulting water-atom-like surface is found to have zero crossing and minimum at similar distances to the corresponding H2O–He surface but to be generally more repulsive at short range and more attractive at long range. The isotropic average of the potential has a zero-crossing radius σ=3.05 A(ring) and a well depth ε=49.5 cm−1 at an intermolecular separation Rm=3.52 A(ring).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467297
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  • 4
    Electronic Resource
    Electronic Resource
    Collision dynamics for an asymmetric top rotor and a linear rotor: Coupled channel formalism and application to H2O–H2 (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 6024-6031 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The close coupling formalism and the approximate coupled states formalism for collisions of an asymmetric top rigid rotor and a linear rigid rotor are reviewed. Calculations for excitation of H2O by H2 using a recent accurate, ab initio potential energy surface are presented. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469337
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  • 5
    Electronic Resource
    Electronic Resource
    ASSESSMENT OF THE DISTRIBUTION AND ELIMINATION OF OCHRATOXIN A IN THE PREGNANT RAT (1986)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of food safety 8 (1986), S. 0 
    Details
    ISSN: 1745-4565
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The distribution and elimination of %H-ochratoxin A was studied in pregnant rats following s.c. administration of a single dose of 2.5 mg/kg on day 12 of gestation. Elimination of radioactivity from serum was biphasic. The overall elimination (beta) half life was 55.88 h. Fecal elimination of radioactivity accounted for 29.1% of the total radioactivity in the first 24 h and 36.2% in 48 h. Radioactivity in the urine accounted for 6.7% of the total at 24 h and 8.6% at 48 h. Thin-layer chromatography (TLC) of whole fetal extracts demonstrated the presence of the parent compound 12 h after maternal dosing, with peak fetal levels (64.2 ng/g) occurring at 48 h. Virtually all of the radioactivity from the extracts was equivalent to ochratoxin A by TLC. No metabolic congeners of ochratoxin were detected in fetal tissues.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1745-4565.1986.tb00548.x
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  • 6
    Electronic Resource
    Electronic Resource
    Vibrationally and rotationally resolved angular distributions for F+H2→HF(ν,j)+H reactive scattering (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 9950-9953 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Angular distributions for individually resolved ν, j states from the F+H2→HF(ν,j)+H chemical reaction are measured for the first time. Vibrational and rotational resolution is achieved simultaneously by applying laser+bolometer detection techniques to crossed-beam reactive scattering. In addition to backward-scattering HF(ν=1, j=6) and HF(ν=2, j=5), we also observe HF(ν=1, j=6) products scattered into the forward hemisphere. The results are in qualitative agreement with fully three-dimensional exact quantum reactive scattering calculations [Castillo et al., J. Chem. Phys. 104, 6531 (1996)] which were conducted on an accurate potential-energy surface [Stark and Werner, J. Chem. Phys. 104, 6515 (1996)]. However, the forward-scattered HF(ν=1, j=6) observed in this experiment is not reproduced by quasi-classical calculations [Aoiz et al., Chem. Phys. Lett. 223, 215 (1994)] on the same potential-energy surface. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473882
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  • 7
    Electronic Resource
    Electronic Resource
    Acetylation/deacetylation reactions of T-2, acetyl T-2, HT-2, and acetyl HT-2 toxins in bovine rumen fluid in vitro (1987)
    s.l. : American Chemical Society
    Journal of agricultural and food chemistry 35 (1987), S. 354-358 
    Details
    ISSN: 1520-5118
    Source: ACS Legacy Archives
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/jf00075a018
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  • 8
    Electronic Resource
    Electronic Resource
    The effects of ochratoxin A on postimplantation rat embryos in culture (1989)
    Springer
    Archives of environmental contamination and toxicology 18 (1989), S. 411-415 
    Details
    ISSN: 1432-0703
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering , Medicine
    Notes: Abstract The mycotoxin, ochratoxin A (OA), is a potentin vivo teratogen. Studies were performed to determine thein vitro effects of OA on postimplantation rat embryos. Embryos were explanted from pregnant Sprague-Dawley rats on day 10 of gestation and were cultured (within the yolk sac) for 45 hr in gassed rat serum containing OA at concentrations between 0 and 300 μg/mL. Gross morphology, histopathology and protein and DNA content of embryos were evaluated. An OA concentration-dependent reduction in yolk sac diameter, crownrump length, somite number count, and protein and DNA content was observed. Ochratoxin A treatment also resulted in an increase in the incidence of defective embryos. Malformations included: growth retardation, hypoplasia of the telencephalon, poor flexion, stunted limb bud development, underdeveloped sensory primordia and decreased mandibular and maxillary size. Histological examination demonstrated extensive OA-induced necrosis of embryonal mesodermal structures and neuroectoderm. Thus, the rat embryo in culture is a sensitive indicator of OA toxicity and may be useful for predicting developmental hazards associated with this mycotoxin.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01062366
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  • 9
    Electronic Resource
    Electronic Resource
    Excitation of interstellar water by ortho-and para-hydrogen (1995)
    Springer
    Astrophysics and space science 224 (1995), S. 537-538 
    Details
    ISSN: 1572-946X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00667943
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  • 10
    Electronic Resource
    Electronic Resource
    On the potential of spectral methods to solve problems in non-Newtonian fluid mechanics (1989)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Methods for Partial Differential Equations 5 (1989), S. 35-43 
    Details
    ISSN: 0749-159X
    Keywords: Mathematics and Statistics ; Numerical Methods
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: Spectral techniques for solving problems in non-Newtonian fluid mechanics are introduced. Following the work of Coleman (J. Non-Newtonian Fluid Mech.; 15, 227-238 [1984]), the governing equations for the creeping flow of a co-rotational Maxwell fluid are written in terms of the Airy stress function and a stream function. This ensures that the continuity and momentum equations are automatically satisfied. The choice of trial functions for solving a one-dimensional model problem using spectral methods is discussed. Methods for treating unbounded domains and accurately representing reentrant boundary singularities within the spectral context are also considered.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/num.1690050104
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