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  • Computational Chemistry and Molecular Modeling  (3)
  • equine leukoencephalomalacia  (2)
  • 1
    Electronic Resource
    Electronic Resource
    Concentrations of fumonisin B1 in feeds associated with animal health problems (1991)
    Springer
    Mycopathologia 114 (1991), S. 129-135 
    Details
    ISSN: 1573-0832
    Keywords: Fumonisin B1 fumonisin B2 ; equine leukoencephalomalacia ; swine pulmonary edema ; animal feeds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract Ninety-eight samples of feeds associated with 44 cases of equine leukoencephalomalacia (ELEM) and 83 samples of feed associated with 42 cases of a porcine pulmonary edema syndrome (PPE) were analyzed for fumonisin B1 (FB1). For comparison purposes, 51 feed samples not associated with PPE or ELEM were also analyzed. Feed associated with ELEM contained FB1 ranging from less than 1 μg/g to 126 μg/g with 75% of the cases having at least 1 sample above 10 μg/g. Feeds associated with PPE ranged from less than 1 μg/g to 330 μg/g with 71% of the cases having at least 1 sample greater than 10 μg/g. Quantitation was by high performance liquid chromatography (HPLC)/fluorescence using the fluorescamine derivative with confirmation by thin layer chromatography (TLC) and/or gas chromatography/mass spectroscopy (GC/MS).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00437200
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Experimental reproduction of ELEM (1992)
    Springer
    Mycopathologia 117 (1992), S. 115-120 
    Details
    ISSN: 1573-0832
    Keywords: Fumonisins ; equine leukoencephalomalacia ; mycotoxins
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract An experiment to gain insight into the minimum toxic dose of fumonisins was conducted by feeding ponies rations with known fumonisin concentrations. Naturally contaminated corn screenings (CS) were blended with pellets, corn, and molasses to formulate individual daily diets. One group of 4 ponies was fed a ration with fumonisin B1 (FB1) varying from 〈1 ppm to 22 ppm. A second group of 5 ponies was fed a ration at varying rates containing 8 ppm FB1 for 180 days. A panel of clinical chemistry parameters was evaluated twice weekly for both groups. One pony in the first group died of equine leukoencephalomalacia (ELEM) after 225 days of which the final 55 days' diet contained 22 ppm FB1. Approximately 9 days prior to death, this animal experienced elevated liver chemistry values. All 5 ponies in the second group experienced mild, transient, clincal signs; were euthanized at 180 days; and had mild, histopathological brain lesions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00497287
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Ab initio factorized LCAO calculation of the electronic structure of α-SiO2 (1992)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 703-716 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We report on the results of calculations of the electronic structure of α-quartz that were made using the first principles, factorized linear combination of atomic orbitals method. Results were obtained for the primitive 9-atom, and orthorhombic 18- and 72-atom unit cells. Application of this method to the calculation of the electronic structure of the neutral oxygen vacancy in α-quartz is discussed and results obtained using a 72-atom unit cell are given. © 1992 John Wiley & Sons, Inc.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560440862
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Ab initio factorized LCAO calculations of the electronic band structure of ZnSe, ZnS, and the (ZnSe )1(ZnS)1 strained-layer superlattice (1992)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 687-701 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We report on the results of electronic band structure calculations of bulk ZnSe, bulk ZnS, and the (ZnSe)1(ZnS)1 strained-layer superlattice (SLS) using the ab initio factorized linear combination of atomic orbitals method. The bulk calculations were done using the standard primitive nonrectangular 2-atom zincblende unit cell, while the SLS calculation was done using a primitive tetragonal 4-atom unit cell modeled from the CuAu I structure. The analytic fit to the SLS crystalline potential was determined by using the nonlinear coefficients from the bulk fits. The CPU time saved by factorizing the energy matrix integrals and using a rectangular unit cell is discussed. © 1992 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560440861
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    Paper (German National Licenses)
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  • 5
    Electronic Resource
    Electronic Resource
    Ab initioSCF calculations on Mn-related defects in CaF2 (1992)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 673-686 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We report on the progress in a study to determine the structure of radiation-induced Mn defect complexes in CaF2. The purpose of this study is to correlate the calculated transition energies with those measured experimentally and to determine what effect the inclusion of the external lattice field has on these transitions. Unrestricted open shell Hartree-Fock Self-Consistent Field (UHF) calculations were performed on the unperturbed F-center [Ca4F6Vac]1+ S = 1/2, the unperturbed Mn2+ center [MnF8]6- S = 5/2, S = 3/2 and the Mn2+ perturbed F-center [Mn2Ca2F6Vac]1+ S = 11/2, S = 9/2 defect clusters. A method by which the effects of the external lattice field may be incorporated in the SCF procedure is developed and used in these calculations. Several transition energies are calculated and Mulliken population results for these clusters are presented and discussed. © 1992 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560440860
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    Paper (German National Licenses)
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