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  • 1
    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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  • 2
    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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  • 3
    Electronic Resource
    Electronic Resource
    Synthesis of stereoregular polygluconamides from D-glucose and D-glucosamine (1995)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 33 (1995), S. 299-305 
    Details
    ISSN: 0887-624X
    Keywords: polygluconamides ; stereoregular polyamides ; stereoregular nylons ; chiral polyamides ; chiral nylons ; aminoaldonic acids ; sugar polyamides ; carbohydrate monomers ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two stereoregular polygluconamides, one (3) of polypeptide-type and the other (16) being a polycaproamide containing four stereocenters in the main chain of the repeating unit, have been prepared from D-glucosamine and D-glucose, respectively. The new polyamides were characterized by elemental analysis, and IR, 1H- and 13C-NMR spectroscopies. The molecular weights for 3 and 16 were estimated as 25,000 and 67,000, respectively, on the basis of viscosimetric measurements. Both polyamides display high optical activity; they are highly hydrophilic and readily soluble in water as well as in a variety of organic solvents including chloroform. Polyamide 16 is highly crystalline and yields resistant films with spherulitic texture. © 1995 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pola.1995.080330211
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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
    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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  • 6
    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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  • 7
    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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  • 8
    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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  • 9
    Electronic Resource
    Electronic Resource
    Ticlopidine augments luminol-dependent chemiluminescence in human neutrophils (1995)
    New York : Wiley-Blackwell
    Journal of Bioluminescence and Chemiluminescence 10 (1995), S. 85-89 
    Details
    ISSN: 0884-3996
    Keywords: Human neutrophils ; ticlopidine ; oxygen-free radicals ; chemiluminescence ; luminol ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Neutrophils contribute to the pathophysiology of various ischaemic states. Since many agents thought to be antiplatelet have also been shown to affect neutrophil function, it was of interest to examine the effect of ticlopidine (250 mg, p.o., b.i.d. for three doses), an antiplatelet agent, on fMLP (formyl-methionyl-leucyl-phenylalanine) stimulated neutrophil aggregation and luminol-dependent chemiluminescence in whole blood. Neutrophil aggregation did not significantly change from baseline values during ticlopidine administration. However, luminol-dependent chemiluminescence, an index of respiratory burst metabolism, was noted to be markedly increased during ticlopidine administration. Two hours following the final dose of ticlopidine, the chemiluminescent response (mean ± SEM, n = 5) was significantly increased from 6.27 ± 1.88 to 12.66 ± 2.19 units (p 〈 0.05). A return to baseline (6.68 ± 2.24 units) five days following the administration of ticlopidine was noted. It is concluded from this study that the acute oral administration of ticlopidine may affect neutrophil function as demonstrated by the significant increase in stimulated luminol-dependent chemiluminescence.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bio.1170100204
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  • 10
    Electronic Resource
    Electronic Resource
    A simplified method for deuterium/hydrogen isotope ratio measurements on water samples of biological origin (1993)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 22 (1993), S. 383-387 
    Details
    ISSN: 1052-9306
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Equilibration of hydrogen gas with the water in a variety of biological sample materials was carried out in Vacutainers using platinum-on-alumina catalyst physically isolated from the liquid water. The equilibration takes 3 days at room temperature - much slower than with catalysts which float on the water surface - but this reduces the short-term temperature sensitivity of the procedure, and the inexpensive materials used allow convenient disposal of biologically contaminated samples after analysis. The slow equilibration also allows time for complete exchange with water contained in a complex sample matrix such as plant stems or soil without the need for prior isolation of the water sample. The method has particular application in studies of human total body water where repeated studies can be carried out over a short time period without the need to wait for the previous dose to wash out. Water turnover rates from total diurnal energy expenditure studies measured by this method were not significantly different from those obtained by the zinc reduction method.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200220704
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