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  • Biochemistry  (37)
  • Occupational Health and Environmental Toxicology  (25)
  • Wiley-Blackwell  (62)
  • 1985-1989  (62)
  • 11
    Electronic Resource
    Electronic Resource
    CNDO Force constants for glucose (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 772-777 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Force constants for both anomers of glucose are evaluated using CNDO/Force method.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080604
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  • 12
    Electronic Resource
    Electronic Resource
    Molecular mechanics study of myelin basic protein (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1104-1108 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Myelin basic protein (MBP) is the major extrinsic protein of the myelin sheath in the central nervous system. We have examined the predicted structure of segments of MBP using the molecular mechanics program ECEPP83 developed by Scheraga and coworkers as modified by Chuman, Momany, and Schafer. We have focused upon segments containing the Pro-Pro-Pro sequence (residues 100-102), which have been predicted from standard algorithms to exist in a hairpin loop connecting anti-parallel beta-strands. Both the shorter (98-105, 99-105, and 100-105) and longer segments (87-109, 87-118, and 87-120) have been examined. These results indicate potential for a chain reversal in this region. The shorter segments have been studied by others using NMR techniques and the results are compared.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080806
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  • 13
    Electronic Resource
    Electronic Resource
    Parallel computation of the Moller-Plesset second-order contribution to the electronic correlation energy (1988)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 9 (1988), S. 158-170 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: We report herein, the implementation of a second-order Moller-Plesset perturbation theory (MP2) program on the IBM LCAP parallel supercomputers. The LCAP systems comprise IBM 308X hosts and 10 FPS-X64 attached processing units (APs). The APs are interconnected by a 512 Mbyte shared memory which allows rapid interprocessor communication. All the computationally demanding steps of the MP2 procedure execute efficiently in parallel. Parallel computation of two-electron integrals is accomplished by distributing the loop over shell blocks among the APs. Parallel Fock matrix formation is achieved by having each AP evaluate the contribution of its own integral sublist to the total Fock matrix. The contributions are added together on the host, and the sum diagonalized either on the host or on a single AP. The parallel implementations of the integral transformation and the MP2 calculation are less straightforward. In each case, the use of the shared memory is essential for an efficient implementation. Details of the implementations and performance data are given.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540090208
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  • 14
    Electronic Resource
    Electronic Resource
    Basis set selections for relativistic self-consistent field calculations (1989)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 10 (1989), S. 112-117 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Practical methods of generating reliable and economic basis sets for relativistic self-consistent fields (RSCF) calculations are developed. Large component basis sets are generated from constrained optimizations of exponents in the nonrelativistic atomic calculations for light atoms. For heavy atoms, large component basis sets for inner core orbitals are generated by fitting numerical atomic spinors of Dirac-Hartree-Fock calculations with appropriate number of Slater-type functions. Small component basis sets are obtained by using the kinetic balance condition and other computational criteria. With judicious selections of the basis sets, virtual orbitals in RSCF calculations become very similar to those in nonrelativistic calculations, implying that relativistic virtual orbitals can be used in electron correlation calculations in the same manner as the conventional nonrelativistic virtual orbitals. It is also evident that the Koopmans' theorem is also valid in RSCF results.
    Additional Material: 8 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540100112
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  • 15
    Electronic Resource
    Electronic Resource
    Effects of ELF (1-120 Hz) and modulated (50 Hz) RF fields on the efflux of calcium ions from brain tissue in vitro (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Bioelectromagnetics 6 (1985), S. 1-11 
    Details
    ISSN: 0197-8462
    Keywords: ELF fieds ; radiofrequency radiation ; amplitude modulation ; 60 Hz ; calcium-ion efflux ; brain tissue ; frequency windows ; intensity window ; Life and Medical Sciences ; Occupational Health and Environmental Toxicology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: We have previously shown that 16-Hz, sinusoidal electromagnetic fields can cause enhanced efflux of calcium ions from chick brain tissue, in vitro, in two intensity regions centered on 6 and 40 Vp-p/m. Alternatively, 1-Hz and 30-Hz fields at 40 Vp-p/m did not cause enhanced efflux. We now demonstrate that although there is no enhanced efflux associated with a 42-Hz field at 30, 40, 50, or 60 Vp-p/m, a 45-Hz field causes enhanced efflux in an intensity range around 40 Vp-p/m that is essentially identical to the response observed for 16-Hz fields. Fields at 50 Hz induce enhanced efflux in a narrower intensity region between 45 and 50 Vp-p/m, while radiofrequency carrier waves, amplitude modulated at 50 Hz, also display enhanced efflux over a narrow power density range. Electromagnetic fields at 60 Hz cause enhanced efflux only at 35 and 40 Vp-p/m, intensities slightly lower than those that are effective at 50 Hz. Finally, exposures over a series of frequencies at 42.5 Vp-p/m reveal two frequency regions that elicit enhanced efflux - one centered on 15 Hz, the other extending from 45 to 105 Hz.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bem.2250060102
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  • 16
    Electronic Resource
    Electronic Resource
    Brain temperature measurements in rats: A comparison of microwave and ambient temperature exposures (1986)
    New York, NY [u.a.] : Wiley-Blackwell
    Bioelectromagnetics 7 (1986), S. 243-258 
    Details
    ISSN: 0197-8462
    Keywords: microwave ; 2450 MHz ; brain temperature ; rat ; Life and Medical Sciences ; Occupational Health and Environmental Toxicology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: In an effort to understand microwave heating better, regional brain and core temperatures of rats exposed to microwave radiation (2450 MHz) or elevated air temperatures were measured in two studies. In general, we have found no substantial evidence for temperature differentials, or “hot spots,” in the brain of these animals. In the first study, after a 30-min exposure, no temperature differences between brain regions either after microwave or ambient air exposure were found. However, a highly significant correlation between brain and core temperatures was found and this correlation was the same for both microwave and ambient air heating. In the second study, time-temperature profiles were measured in rats exposed to either 30 mW/cm2 or 36.2°C. In this study, the 30-min exposure period was divided into seven intervals and the change in temperature during each period was analyzed. Only the cortex showed significantly different heating rates between the air heating and microwave heating; however, this difference disappeared after the initial 5 min of exposure.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bem.2250070302
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  • 17
    Electronic Resource
    Electronic Resource
    Suppression of T-lymphocyte cytotoxicity following exposure to 60-Hz sinusoidal electric fields (1988)
    New York, NY [u.a.] : Wiley-Blackwell
    Bioelectromagnetics 9 (1988), S. 303-313 
    Details
    ISSN: 0197-8462
    Keywords: murine allogeneic cytotoxicity ; electric field ; interleukin-2 ; effector lymphocytes ; Life and Medical Sciences ; Occupational Health and Environmental Toxicology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: A significant 25% inhibition (P 〈 .005) of allogeneic cytotoxicity of the target cell MPC-11 by the murine cytotoxic T-lymphocyte line CTLL-1 was observed when the 4-h cytotoxicity assay was conducted immediately following a 48-h pre-exposure of the effector lymphocytes to a 10-mV/cm (rms) 60-Hz sinusoidal electric field. At 1.0 mV/cm a significant 19% inhibition (P 〈 .0005) was seen. At 0.1 mV/cm a nonsignificant 7% inhibition of cytotoxicity was noted. When the 4-h cytotoxicity assay was conducted in the presence of the field using previously unexposed effector lymphocytes, cytotoxicity was not significantly reduced. Cell proliferation in the presence of interleukin-2 was unaffected by the field. These data suggest a dose response and threshold (between 0.1 and 1.0 mV/cm) for inhibition of cytotoxicity in clonal T-lymphocytes by exposure to a 60-Hz sinusoidal electric field. These results suggest mechanisms by which 60-Hz electric fields could affect the function of cells of the immune system.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bem.2250090311
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  • 18
    Electronic Resource
    Electronic Resource
    Calcium cyclotron resonance and diatom mobility (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Bioelectromagnetics 8 (1987), S. 215-227 
    Details
    ISSN: 0197-8462
    Keywords: ELF fields ; cell mobility ; calcium ion effects ; Life and Medical Sciences ; Occupational Health and Environmental Toxicology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: The hypothesis that movement of biological ions may be predicted by cyclotron resonance theory applied to cell membranes is tested in these experiments. Diatoms (Amphora coffeaeformis) were chosen as the biosystem since they move or don't move, depending on how much calcium is transported across the membrane. The experiments demonstrate that a particular ion (calcium) is apparently moved across the cell membrane in response to the DC and AC values of magnetic flux densities (B) and the frequency derived from the cyclotron resonance theory. A clear resonance is shown and a rather sharp frequency response curve is demonstrated. The experiments also show a dose response as the AC value of the flux density is varied, and that odd harmonics of the basic cyclotron frequency are also effective.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bem.2250080302
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  • 19
    Electronic Resource
    Electronic Resource
    Stimulation of cutaneous mechanoreceptors by 60-Hz electric fields (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Bioelectromagnetics 8 (1987), S. 337-350 
    Details
    ISSN: 0197-8462
    Keywords: hair vibration ; extremely low frequencies ; chronic stimulation ; exposure system ; Life and Medical Sciences ; Occupational Health and Environmental Toxicology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: Chronic exposure of animals to 60-Hz electric fields is known to affect the nervous system in a variety of subtle ways. The mechanism whereby these effects are produced remains unknown. One hypothesis is that the effects are a result of direct interaction between neuronal membranes and induced currents. Alternatively, the effects could be produced indirectly, as a result of sensory stimulation and the resulting low-level stress. To test these hypotheses, a system was developed to expose the surface of an anesthetized cat's paw to surface electric fields up to 600 kV/m while simultaneously measuring, in dorsal root fibers, afferent nerve impulses originating from various receptor types in the exposed paw. Of the 245 receptor units tested, comprising ten cutaneous receptor types, ten responded to the electric field with an increase in firing rate. The most sensitive receptor type was the rapidly adapting field receptor (RAF); eight of 20 (40%) were sensitive to the electric field, with thresholds as low as 160 kV/m. One of 35 rapidly adapting high-frequency receptors and one of 22 type T hair-follicle receptors were also sensitive to the electric field. Follow-up tests on the RAF receptors showed that hair removal reduced but did not eliminate the electric field sensitivity, suggesting that at least one other mechanism was involved in addition to stimulation via hair movement. The most likely mechanism is field-induced vibrations of the skin, since a further reduction in firing rate occurred following application of mineral oil to the depilated paw. Direct interaction with neuronal membranes is not supported by our evidence.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bem.2250080403
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  • 20
    Electronic Resource
    Electronic Resource
    Noninvasive thermometry using multiple-frequency-band radiometry: A feasibility study (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Bioelectromagnetics 6 (1985), S. 391-404 
    Details
    ISSN: 0197-8462
    Keywords: hyperthermia ; thermometry ; noninvasive sensing ; microwave radiometry ; Life and Medical Sciences ; Occupational Health and Environmental Toxicology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: The potential use of multiple-frequency-band radiometry as a means of noninvasive sensing of one-dimensional temperature profiles is presented in this communication. The radiative energy transfer equation is solved numerically. Ideal-condition thermal noise spectra and distributions of received energy, associated with specific temperature-depth profiles, are presented. Performance characteristics are discussed.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bem.2250060406
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