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  • 1
    ISSN: 0951-4198
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: Noncovalent interactions in soybean agglutinin (SBA) were studied on an electrospray ionization (ESI) time-of-flight mass spectrometer constructed recently at the University of Manitoba. The high m/z range and high sensitivity of the instrument together with mild ESI interface conditions turned out to be ideal for detecting this noncovalently bonded tetrameric protein (MW ∼ 116 000 Da) in low charge states (z=23 to 27). By altering the acetonitrile content of the SBA solutions it was shown that the observed SBA tetramers are due to structurally specific noncovalent associations in solution. Octamers and dodecamers (MW ∼ 350 000 Da) were also detected. Information on the quaternary structure of the tetramers was obtained by analyzing the fragment-ion spectrum resulting from the collision-induced dissociation of the tetramer ions.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The DNA base uracil was derivatized with pentafluorobenzoyl chloride, followed by methylation with methyl iodide in the presence of N,N-dimethylformamide (DMF). In addition to a 3-pentafluoro-benzoyl-1 -methyl derivative of uracil, GC/MS analysis of the reaction mixture revealed the formation of an unusual product, whose molecular weight was 12 U higher than that of the prior derivative. This unexpected product has been identified as the 3-(para-methoxytetrafluorobenzoyl)-1-methyl derivative of uracil. Isotopic labeling and related experiments have revealed that the DMF solvent contributes the oxygen atom of the methoxy group that replaces the para fluorine atom. This work allowed a single derivative to be obtained for the methylation reaction by changing the solvent to acetonitrile.
    Additional Material: 2 Ill.
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  • 3
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Pentafluorobenzyl (PFBz) derivatives of the following nucleobases were prepared: cytosine, 5-methylcytosine, O2-methylcytosine, O2-ethylthymine, O4-ethylthymine, 5-hydroxymethyluracil, N6-methyladenine, O6-methylguanine, O6-hydroxyethylguanine and O6-hydroxyethylpurine. 13C nuclear magnetic resonance was diagnostic for O- versus N-attachment of the PFBz moiety: the resonance of the methylene carbon appeared in the range 29.15-42.13 ppm for NCH2C6F5, and 58.45-69.01 for OCH2C6F5. Considerable structural information was provided by mass spectrometry with ionization by electron impact. All of the derivatives were detected with high sensitivity and specificity by gas chromatography with detection by electron capture negative ion mass spectrometry, reflecting not only their chemical and physical stability, but also their strong tendency to form a structurally diagnostic anion, [M - PFBz]-, in high yield under these ionization conditions. PFBz derivatives are therefore attractive forms of alkyl-substituted nucleobases for analysis by mass spectrometry.
    Additional Material: 5 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 24 (1993), S. 317-330 
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Resonance-enhanced Raman scattering (RERS) from the ground X1Σg+(νg = 0, Jg) state of H2 via the excited intermediate C1Πu(ν = 0/1/2/3, Ji) state coupled non-adiabatically with the B1Σu+(νiB = 8/10/12/14, Ji) state was studied theoretically, applying second-order perturbation theory. The excitation and Raman spectra for the pure rotational, fundamental and higher overtones are presented. Effects of non-adiabatic coupling on the excitation profiles, scattered intensities and depolarization ratios were investigated. The intensities of excitation spectra and Raman lines for O-, Q- and S-branches were calculated using thermal Boltzmann factors for vibrational-rotational distribution at room temperature (300 K). The RERS cross-sections with adiabatic and non-adiabatic corrections are reported together with Born-Oppenheimer (BO) results where available, for comparison. The calculated RERS cross-sections including non-adiabatic effects were found to vary significantly from adiabatic or BO results.
    Additional Material: 16 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 21 (1990), S. 655-666 
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Continuum resonance Raman scattering from the heteronuclear molecular ion HD+ in the wavelength range 700-2500 Å has been treated theoretically using second-order perturbation theory together with the Racah algebra technique. Effects of interference between the intermediate 1s σg, 2p σu and 2p πu states on the scattered intensities and depolarization ratios have been invesatigated. The intensities of the Raman lines for O-, Q- and S-branches have been calculated using the non-thermal Franck-Condon factors for vibrational and thermal Boltzmann factors for the rotational population of HD+ and a thermal rovibrational distribution corresponding to 600 K for selected transitions. The calculated cross-sections are found to be larger than the exprimental values for neutral diatoms.
    Additional Material: 8 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 22 (1991), S. 663-673 
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Discrete resonance Raman scattering (DRRS) from the ground X1Σg+(νg = 0, Jg = 0-2) state of H2 via excited intermediate states B1Σu+(νi = 0-3, Ji = 0-3) and C1Πu(νi = 0-3, Ji = 1-3) was studied theoretically, applying the reduced density operator formalism. The Raman Spectra for the pure rotational, fundamental and higher overtones are presented. The intensities of the Raman lines for O, Q and S branches were calculated using thermal Boltzmann factors for vibrational-rotational distribution at room temperature (300 K). The calculated DRRS cross-sections are found to be many orders of magnitude larger than normal (non-resonance) Raman cross-sections for H2 or continuum resonance Raman cross-sections for molecular ions such as HD+.
    Additional Material: 10 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 29 (1991), S. 631-635 
    ISSN: 0749-1581
    Keywords: Pyranobenzopyranones ; Furobenzopyranones ; 13C NMR ; 1H NMR ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carbon-13 spectral assignments of five pyrano [3,2-c] [1] benzopyran-5 (2H) - ones, five pyrano[2,3-c][1] benzopyran-5 (2H) - ones and five 2-methylfuro[2,3-c][1] benzopyran-4-ones and of 2-methylfuro [3,2-c][1]benzopyran-4-one and 4-(2-chloroallyl)-3-hydroxycoumarin were made from mutual correlations, 13C/1H coupling constant measurements and 2D X-H correlation analyses. High-resolution proton resonance assignments of these compounds are reported.
    Additional Material: 3 Tab.
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  • 8
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 30 (1992), S. 1145-1148 
    ISSN: 0749-1581
    Keywords: 13C NMR ; 1,4-Bis-derivatives of but-2-yne ; 1-Substituted prop-2-ynes ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 13C NMR data for several 1-substituted prop-2-ynes and 1,4-bis derivatives of but-2-yne are reported with full assignments. Substituent effects of  - X - aryl groups (X = O, S, NMe, SO2) at the propargylic position on the chemical shifts of the acetylenic carbons were determined.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
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