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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 40 (1991), S. 269-279 
    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: The molecular and electronic structures of ADPO 1, a model thiapentalene 2, and [Xe2F3]+ have been calculated in the local-density functional (LDF) formalism with polarized double numerical basis sets. The molecules were calculated to have planar C2ν structures in agreement with experiment and in contrast to Hartree-Fock molecular-orbital calculations. The vibrational spectra of all species were calculated to show that the optimized structures are indeed minima. The calculated spectrum of [Xe2F3]+ is compared with the experimental one and excellent agreement is found. These results demonstrate that the LDF method can be applied to the prediction of molecular structures containing hypervalent bonds.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 4 (1990), S. 47-50 
    ISSN: 0886-9383
    Keywords: Classification ; Pattern recognition ; Preprocessing ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Over the past 15 years the linear learning machine has been applied to a large number of chemical problems. The learning machine approach is conceptually simple and does not require knowledge about the statistical distribution of the data. However, there are problems associated with this approach. One problem which has not been investigated is the influence of mislabeled samples on the positioning of the hyperplane in feature space. If a few samples in a data set are incorrectly tagged prior to training (i.e. the samples are labeled as members of class 2 even though they are actually members of class 1), it is still possible using the linear learning machine to achieve a classification success rate of 100% for the training set. However, unfavorable results will be obtained for the prediction set. The magnitude of this effect and its potential implications regarding the proper use of the linear learning machine are discussed.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 0887-624X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Changing solvent has a dramatic effect on the outcome of HPC stabilized dispersion polymerization of styrene in polar solvents. In methoxyethanol/ethanol mixtures, particle size varies from essentially infinity for unstabilized reactions (below 30% ethanol) to about 3 microns in ethanol. In a series of n-alcohols, there was a maximum in particle size at intermediate chain length: particle size increased from 2 microns in methanol to 8.3 microns in pentanol, then decreased again to 1 micron in octadecanol. These results were rationalized in terms of the three-component Hansen solubility parameters. The largest particles were obtained in solvents with Hanson polarity and hydrogen bonding terms closest to HPC. The generality of the three-component solubility parameter approach was examined by reactions performed in eight mixed solvents with the same values of all three Hansen terms. Seven of the eight solvents gave particles of similar size and molecular weight. The two critical effects of solvent on both particle size and molecular weight appear to be: (a) the solubility properties of the grafted HPC-PS formed, and (b) the partitioning of monomer and initiator between solution and particle phases subsequent to nucleation.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 0887-624X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 5
    ISSN: 0006-3592
    Keywords: chemostat ; glucose limitation ; glycosylation ; CHO cells ; interferon-γ ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The physiology of a recombinant Chinese hamster ovary cell line in glucose-limited chemostat culture was studied over a range of dilution rates (D = 0.008 to 0.20 h-1). The specific growth rate (μ) deviated from D at low dilution rates due to an increased specific death rate. Extrapolation of these data suggested a minimum specific growth rate of 0.011 h-1 (μmax = 0.025 h-1) The metabolism at each steady state was characterized by determining the metabolic quotients for glucose, lactate, ammonia, amino acids, and interferon-γ (IFN-γ). The specific rate of glucose uptake increased linearly with μ, and the saturation constant for glucose (Ks) was calculated to be 59.6 μM. There was a linear increase in the rate of lactate production with a higher yield of lactate from glucose at high growth rates. The decline in the rate of production of lactate, alanine, and serine at low growth rate was consistent with the limitation of the glycolytic pathway by glucose. The specific rate of IFN-γ production increased with μ in a manner indicative of a growth-related product. Despite changes in the IFN-γ production rate and cell physiology, the pattern of IFN-γ glycosylation was similar at all except the lowest growth rates where there was increased production of nonglycosylated IFN-γ. © 1993 John Wiley & Sons, Inc.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
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  • 6
    ISSN: 0006-3592
    Keywords: Chinese hamster ovary ; interferon-γ ; chemostat culture ; glycosylation ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A Chinese hamster ovary (CHO) cell line expressing recombinant human interferon-γ (IFN-γ) was grown under glucose limitation in a chemostate at a constant dilution rate of 0.015 h-1 with glucose feed concentrations of 2.75 mM and 4.25 mM. The changes in cell concentration that accompanied changes in the glucose feed concentration indicated that the cells were glucose-limited. The cell yield on glucose remained constant, but there was a decline in residual glucose concentration and a reduced lactate yield from glucose in the latter stages of the culture. The consumption rates for many of the essential amino acids were increased later in the culture. The volumetric rate of interferon-γ production was maintained throughout the course of this culture, indicating that IFN-γ expression was stable under these conditions. However, the specific rate of IFN-γ production was significantly lower at the higher glucose feed concentration. Under glucose limitation, the proportion of fully glycosylated IFN-γ produced by these cells was less than that produced in the early stages of batch cultures. The proportion of fully glycosylated IFN-γ increased during transient periods of glucose excess, suggesting that the culture environment influences the glycosylation of IFN-γ.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 10 (1993), S. 26-32 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: It is often necessary to estimate the properties of particle size distributions from limited samples taken from large populations. When the distributions are broad, and higher order moments required, as in the case of volume based particle size distributions, the inferred parameters d3,50 (volume median diameter) and GSD (geometric standard deviation) can have high intrinsic errors not immediately obvious to the measuring scientist. We show that there is a critical number of particles, Ncrit, which must be counted or else the error may blow up catastrophically. Ncrit is very sensitive to the width of the distribution, and is approximately proportional to GSD11 We develop formulae to estimate the random sampling error inherent in measured values of the d3,50 and GSD for the log-normal distribution; compare the predictions to a typical experimental particle size measurement; and then generalize to the median of any arbitrary moment, dr, 50.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 9 (1992), S. 9-18 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Two dimensional images are often used as a basic for calculating shape descriptors of particles. An edge roughness descriptor, the fractal dimension, can be found from a Richardson plot of measured perimeter versus the measuring step length. Data Scatter on these plots is shown to be related to the incipient formation of polygonal harmonics, which are regular polygons formed during a structured walk around the image edge. This relationship was verified using both computer generated fractal images and real particle outlines.
    Additional Material: 14 Ill.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 16 (1993), S. 561-564 
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Trace analysis ; Solvent effect inlet technique ; Solvent purification ; Solvent storage ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 11 (1994), S. 457-462 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Studies have been performed to characterize the flow of certain powders of pharmaceutical interest from a vibrating spatula. Lactose, cromolyn sodium, sodium chloride and charcoal powders were prepared by milling or sieving. Jet milling yielded micronized powder (1-10 μm), which was recovered from the product jar or metal cyclone. Particles in the larger size ranges were prepared by sieving. Photomicrograph images of the products were obtained by scanning electron microscopy. All of the powders were subjected to flow studies from vibrating beds to a top loading pan balance. Cumulative mass versus time, flow profiles were plotted. Bulk flow properties, as reflected in mass flow rates (Mi), were assessed. Irregular flow patterns were obtained for lactose, cromolyn sodium and charcoal, whereas sodium chloride was free flowing. The lengths of the lines depicting cumulative mass versus time, for samples of each material, were estimated using the inswing structured walk technique. Stride lengths (γ) of 1-100 mm were employed. Fractal dimensions were obtained from graphs of the logarithm of the cumulative mass versus time line length plotted against the logarithm of the stride length. Thus, flow irregularities were indicated by fractal dimensions (δ).In all of the powders studied, mass flow rates increased as the particle size increased. Sodium chloride did not exhibit fractal behavior (δ ≤ 1.007), as there were no flow irregularities. Lactose, cromolyn sodium and charcoal did not appear to exhibit fractal behavior (δ ≤ 1.010) at large stride lengths (γ = 15-100 mm). At small stride lengths (γ = 1-10 mm) these materials did exhibit fractal behavior (δ equals; 1.029-1.059) indicative of flow irregularity. This method may be used to numerically quantify uniformity of flow from a vibrating spatula, and would be useful in a number of industrial processes.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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