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  • 1
    Electronic Resource
    Electronic Resource
    A computer model of the fixed bed catalytic reactor: The adiabatic and quasi-adiabatic cases (1963)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 9 (1963), S. 129-133 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A digital computer model of the adiabatic-fixed bed catalytic reactor is developed which includes axial dispersion of heat and mass, interparticle heat and mass transport, and intraparticle diffusion of reacting species. The influence of these transport processes upon conversion and yield is discussed. The model is readily extended to nonisothermal, nonadiabatic cases in the absence of radial gradients.The technique of computer solution avoids the inherent instability problem associated with explicit techniques as applied to flux boundary condition problems which involve flow, diffusion, and reaction.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690090128
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  • 2
    Electronic Resource
    Electronic Resource
    Oxidation der Pb-Ca-Legierungen in flüssigem Zustand (1978)
    Weinheim [u.a.] : Wiley-Blackwell
    Materials and Corrosion/Werkstoffe und Korrosion 29 (1978), S. 815-820 
    Details
    ISSN: 0947-5117
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Description / Table of Contents: Oxidation of PbCa alloys in the liquid stateThe effect of various temperatures, the composition of the alloy and the corroding atmosphere is studied with a thermobalance during the oxidation of molten PbCa alloys. The rate controlling step of the oxidation depends on the test conditions. The results obtained at 700°C are in agreement with data found in literature and according to which the oxidation increases with the Ca content; in this range calcium is subject to preferential oxidation. At 600°C and temperatures below that the addition of calcium does not only not increase oxidation but may give rise to a decrease.
    Notes: Mit einer Thermowaage wird die Wirkung verschiedener Temperaturen, der Zusammensetzung der Legierung und der Zusammensetzung der angreifenden Atmosphäre bei der Oxidation geschmolzener Pb-Ca-Legierungen untersucht. Der geschwindigkeitsbestimmende Schritt der Oxidation hängt von den Versuchsbedingungen ab. Bei 700°C bestätigen die bei der vorliegenden Untersuchung erhaltenen Ergebnisse die Literaturangaben, wonach die Oxidation bei zunehmendem Ca-Gehalt ansteigt; dabei wird das Calcium vorzugsweise oxidiert. Dagegen wird bei 600°C und darunter die Oxidation durch Zusatz von Calcium nicht nur nicht verstärkt, sondern sogar verringert.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/maco.19780291206
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  • 3
    Electronic Resource
    Electronic Resource
    Chiroptical properties, structure, and absolute configuration of heterosubstituted 2(5H)-furanones (1997)
    New York, NY [u.a.] : Wiley-Blackwell
    Chirality 9 (1997), S. 537-544 
    Details
    ISSN: 0899-0042
    Keywords: Circular dichroism ; helicity rule ; X-ray structure determination ; ultraviolet spectra ; n - π* and π - π* bands ; Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Chiroptical properties of a series of 3 and/or 4-heterosubstituted 2(5H)-furanones were investigated with respect to correlation with absolute configuration. The n - π* and π - π* Cotton effects have been assigned on the basis of comparison with the UV spectra in solvents of varying polarity. It is demonstrated that the n - π* transition in 4-amino substituted 2(5H)-furanones appears at shorter wavelength with respect to the π - π* transition. With the exception of 4-pyrrolidino and 4-benzylamino substituted 2(5H)-furanones, other heterosubstituted 2(5H)-furanones follow the butenolide configurational rule (Gawronski et al. J. Org. Chem. 61:1513-1515, 1996). Absolute configuration of 2(5H)-furanone derivatives can also be assigned according to the sign of the Cotton effect (of unknown origin) at 200-230 nm. The structure of four representative sulfur and nitrogen substituted 2(5H)-furanones has been analyzed by X-ray diffraction. The results indicate planarity of the furanone ring and extended conjugation in 4-amino substituted 2(5H)-furanones. Chirality 9:537-544, 1997. © 1997 Wiley-Liss, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Mathematical model for the optimization of the reaction between 2,3-bis(m-tolyl)quinolizinium bromide and piperidine using a factorial design (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 1-10 
    Details
    ISSN: 0886-9383
    Keywords: Derivatization reaction ; Factorial design ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A number of nucleophiles have been successfully identified and quantified using the Kröhnke reaction with 2,3-diphenyl derivatives of quinolizinium salts. Optimization of the reaction conditions by means of a mathematical model involving analysis of the response surface has led to a better understanding of the factors exerting an influence on the above reaction.The parameters chosen were temperature, reaction time, base concentration, water concentration and nucleophile concentration. The reaction was developed in polar aprotic solvents (acetone, acetonitrile). To facilitate the nucleophilic attack, the presence of an organic base (triethylamine) was necessary, although concentrations in excess of 0·15M did not alter the development of the reaction. Since pharmaceutical solutions are often aqueous, the influence of water on the reaction was studied. Low water volumes have no significant influence on the opening of the quinolizinium ring by the nucleophilic reagent. However, when the water proportion exceeded that of the organic solvent, the fluorescence intensity was lower than expected. Development of the fluorescent reaction product was first detected 5 min after the reaction started. The fluorescence intensity reached its optimum value after 138 min.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060102
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  • 5
    Electronic Resource
    Electronic Resource
    Quantum chemical structure-activity relationships on β-carbolines as natural monoamine oxidase inhibitors (1983)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 23 (1983), S. 1643-1652 
    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: The electron density and the molecular electrostatic potential of the β-carbolines are studied using ab initio STO-3G wave functions. The analysis was done from the point of view of a previous model built with monoamine oxidase substrates and irreversible inhibitors. The results confirm the usefulness of the model and make it possible to propose new precision to the molecular electrostatic potential patterns needed to have monoamine oxidase inhibitory activity.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560230445
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  • 6
    Electronic Resource
    Electronic Resource
    Amplitude squared squeezed states in the Fock-Bargmann space (1993)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 46 (1993), S. 515-518 
    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: Squeezed states are normally studied in configuration space or using the Glauber formalism for the coherent states. Here we show that the use of the Fock-Bargmann space can lead to more general solutions, especially in the case of squeezed states associated with the square of field amplitude. The relations that we obtain are completely general and several well-known, approximate results can be obtained as the limit cases of our approach.© 1993 John Wiley & Sons, Inc.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560460402
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  • 7
    Electronic Resource
    Electronic Resource
    Quantum chemical study of the molecular patterns of MAO inhibitors and substrates (1983)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 23 (1983), S. 1627-1641 
    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: Similarities and differences between mitochondrial monoamine oxidase (MAO) substrates and inhibitors (both A and B types) are considered, studying quantitatively two molecular properties: electron density and molecular electrostatic potential (MEP). The following molecules are considered: substrates: PHEA, BZA, tele-N-methyl-histamine, phenylethanolamine, phenylpropylamine, tryptamine, dopamine, phenoxylethylamine, noradrenaline, serotonin, and p-nitro-phenylethanolamine; inhibitors: Deprenil, Clorgyline, and Lilly 51641 (only the moiety involved in the A-B differentiation is considered). The wave functions needed to calculate the analyzed properties are of ab initio quality, and have been calculated in analogous conformations, all near the energetic minima. Electron densities distributions are qualitatively compared by means of a correlation coefficient defined over the whole space. Otherwise, patterns of the possible zones of electrostatic interactions are described by means of the distances and angles between minima, in order to differentiate MAO-A and MAO-B substrates. The results reproduce efficiently the experimental classification and enable us to predict the type of enzymatic action of molecules not yet experimentally classified.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560230444
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  • 8
    Electronic Resource
    Electronic Resource
    Synthesis and levels of organic phosphates in erythrocytes during avian development: Specific formation of BPG and IP5 in two distinct populations from young chicks (1984)
    New York, NY [u.a.] : Wiley-Blackwell
    Cell Biochemistry and Function 2 (1984), S. 257-262 
    Details
    ISSN: 0263-6484
    Keywords: Blood ; 2,3-bisphophoglycerate ; inositol-5-phosphate ; 2,3-bisphophoglycerate synthase ; phytase ; counter current distribution ; avian red cells ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Medicine
    Notes: Two generations of red cells (embryonic and definitive), different types of haemoglobins, and special organic phosphates involved in the control of haemoglobin oxygenation (2:3-bisphosphoglycerate, BPG, and inositol-5-phosphate, IP5), have been found progressively during development of the chick. Levels of both organic phosphates, as well as activities of the enzymes involved in BPG synthesis (2:3-bisphosphoglycerate synthase, BPGM) and IP5 formation (phytase), were studied in the erythrocyte populations from embryo, young and adult chickens. Measurement of specific activities of BPGM and phytase in the two subpopulations present in young chickens showed that these phosphates could be specifically and predominantly formed in these two red cell populations.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cbf.290020414
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  • 9
    Electronic Resource
    Electronic Resource
    Zur Fluiddynamik des Steigrohrs eines katalytischen Crackers (FCC) (1995)
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 67 (1995), S. 1092-1093 
    Details
    ISSN: 0009-286X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cite.330670919
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  • 10
    Electronic Resource
    Electronic Resource
    Non-equivalence Magnetique en Resonance Nucleaire - IV. Influence de Plusieurs Types de Dissymetries sur les Deplacements Chimiques et les Couplages Relatifs a des Systemes —O—CH2—CH3 et —S—CH2—CH3 (1969)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 1 (1969), S. 19-26 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Magnetic non-equivalence of methylenic protons in A—CH2—CH3 groups were studied for several types of compounds. Results are compared with respect (1) to the nature of heteroatom A:A = O and A = S and (2) to the structure of the local dissymmetry element: asymmetric carbon, ketal group and allenic system. Influence of substitution is discussed in relation to conformational problems. Furthermore a variation of the methylene geminal coupling constant with substituents of carbon α to OEt is observed.
    Notes: La non-équivalence magnétique des protons méthyléniques de groupements A—CH2—CH3 est étudiée dans plusieurs séries de composés. Les effets sont comparés d'une part dans les séries A = O et A = S, d'autre part dans les composés présentant un carbone asymétrique, un carbone de type cétal ou une dissymétrie allénique. L'influence de la substitution sur le carbone en α de AEt est discutée en relation avec les conformations. Une variation de la constante de couplage entre les protons méthyléniques géminés en function de la nature des substituants lointains est mise en évidence.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270010106
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