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  • 1
    Electronic Resource
    Electronic Resource
    Flavonoid-DNA Interaction Studied with Flow Linear Dichroism Technique (1995)
    s.l. : American Chemical Society
    Journal of agricultural and food chemistry 43 (1995), S. 876-882 
    Details
    ISSN: 1520-5118
    Source: ACS Legacy Archives
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/jf00052a006
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  • 2
    Electronic Resource
    Electronic Resource
    On coenzyme Q orientation in membranes: A linear dichroism study of ubiquinones in a model bilayer (1992)
    Springer
    The journal of membrane biology 128 (1992), S. 193-203 
    Details
    ISSN: 1432-1424
    Keywords: coenzyme Q ; ubiquinone-orientation ; ubiquinone-localization ; linear dichroism ; model membrane
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Summary A general approach is developed to interpret linear dichroism (LD) spectra of ubiquinones (Q n) in host bilayers. Information is reported in terms of guest-host mutual orientation and localization. The overall orientational anisotropy of guest ubiquinone molecules is described by a basic set of limiting orientation/localization modes. Assignments of the UV transitions of the ubiquinone chromophore were obtained by the liquid crystal-linear dichroism technique and molecular orbital (CNDO/S) calculations. The LD spectra of Q n in the bilayers provided by the lyotropic nematic mesophase exhibited by water solutions of potassium laurate and decanol were interpreted on the basis of the above assignments. The resulting experimental evidence showed a multisite distribution in the host bilayer for the aromatic heads of all the investigated Q n derivatives except Q0. The orientational distribution suggested by the LD spectra fits the solubilization model recently proposed by G. Lenaz [J. Membrane Biol. (1988) 104:193–209] for ubiquinone in lipid membranes. Within this model Q n molecules are located in the midplane and their headgroups oscillate transversally across the membrane. Q 0 instead has a single site location, close to the polar bilayer interface. Experimental evidence that the headgroup carbonyls tend to grasp the polar interface of the host bilayer was also obtained. Orientation and location distributions of Q n guest molecules are therefore likely to result from the tendency of their aromatic heads to grasp the polar heads of the host bilayer and from the concurrent tendency of their chains to settle into the hydrocarbon host interior.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00231812
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  • 3
    Electronic Resource
    Electronic Resource
    Circular Dichroism of Methylated Phenols Included in β-Cyclodextrin. An Experimental and Theoretical Study (1995)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 99 (1995), S. 3943-3950 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100012a013
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  • 4
    Electronic Resource
    Electronic Resource
    Charge-transfer complexes betweenp-toluidine and iodine in solution: A spectrophotometric and voltammetric study (1983)
    Springer
    Monatshefte für Chemie 114 (1983), S. 675-685 
    Details
    ISSN: 1434-4475
    Keywords: Charge-transfer complexes ; Photoconversion “outer” complex → “inner” complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Es wird die Charge-Transfer-Wechselwirkung zwischen einem aromatischen Amin (p-Toluidin) und einem Halogen (Jod) in verschiedenen Lösungsmitteln untersucht. Es wird der Einfluß der Dielektrizitätskonstante, der Ionenstärke und der Wellenlänge des absorbierten Lichtes auf die Umwandlung eines Zwischenkomplexes (als “outer”-Komplex bezeichnet) zu einer polaren “inner”-Komplexstruktur studiert. Es wird eine Hypothese über den gesamten Reaktionsmechanismus erstellt.
    Notes: Abstract The charge-transfer interaction between an aromatic amine (p-toluidine) and a halogen (iodine) is investigated in different solvents. The effects of the solvent dielectric constant, of the ionic strength and of the light absorbed on the transformation of the intermediate “outer” complex into a polar “inner” structure are studied. An overall reaction mechanism is suggested.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01134181
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  • 5
    Electronic Resource
    Electronic Resource
    Structural Analysis of Host–Guest Systems. Methyl-substituted Phenols in beta;-Cyclodextrin (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 29 (1997), S. 79-93 
    Details
    ISSN: 1573-1111
    Keywords: Cyclodextrins ; host–guest systems ; molecular recognition ; molecular surfaces ; solvation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Complexation trajectories and the variation ofinduced circular dichroism are calculated for thedocking of phenol and 2,4,6-trimethyl-phenol withβ-cyclodextrin. The results are compared toexperimental chirality data to elucidate themechanism of nonspecific molecular recognitionprocesses in aqueous solution. Large geometricalchanges along nearly isoenergetic Dynamic Monte Carlotrajectories show the conformational flexibility ofsuch host–guest systems. This proves diffuseintermolecular interactions, van der Waals orelectrostatic in nature, as the main contributions to thebinding energy. The number and position of the methylsubstituents of the guest reduces the complexityof the conformational space as the guest‘s positionbecomes fixed by steric constraints. The solvation free energy is calculated from thesolvent accessible surface area weighted byrespective atomic solvation parameters. Consideringthe solvation term in the dynamic simulationsrestricts the conformational flexibility of themacromolecular system. The relative importance ofvarious contributions to the solvation energy isdiscussed and it is shown that those terms arisingfrom the interaction of hydrophobic groups with theaqueous environment are essential for thedetermination of the complex structure. Consideringthese terms in the dynamic simulation model, the signand strength of the calculated rotatory strength isin perfect agreement with induced circular dichroismobtained from experimentally determined averagedspectra. The results demonstrate the accuracy of thegeometrical properties of host–guest systems obtainedfrom these simulations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007920606983
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  • 6
    Electronic Resource
    Electronic Resource
    Charge-transfer complexes betweenp-toluidine and iodine in solution: A kinetic study (1985)
    Springer
    Monatshefte für Chemie 116 (1985), S. 311-321 
    Details
    ISSN: 1434-4475
    Keywords: Charge-transfer complexes ; Photoconversion “outer” complex → “inner” complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Die Kinetik der Charge-Transfer-Wechselwirkung zwischenp-Toluidin und Jod in Methylenchlorid wurde ausführlich untersucht. Derthermische Prozeß, der zur Bildung des„inner“-Komplexes führt, geht bis zu einem Gleichgewicht. Derphotochemische Prozeß folgt einer unterschiedlichen Reaktionskoordinate und verläuft über die Bildung eines Exziplexes zwischen dem angeregten„outer“-Komplex und dem Amin im Grundzustand. In beiden Fällen wurde derselbe ionische Komplex (Am 2I+I 3 − , wobeiAm fürp-Toluidin steht) als Endprodukt festgestellt.
    Notes: Abstract The kinetics of charge-transfer interaction betweenp-toluidine and iodine in methylene chloride was investigated in depth. Thethermal process of formation of the“inner” complex was found to proceed to an equilibrium. Thephotochemical process follows a different reaction coordinate, going through the formation of an exciplex between the excited“outer” complex and the amine ground state. In both cases the same ionic complex (Am 2I+I 3 − , whereAm stands forp-toluidine) was detected as the final product.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00799965
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  • 7
    Electronic Resource
    Electronic Resource
    Quantum mechanical calculations on vibronic activity in the MCD spectra of carbonyl compounds (1989)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 36 (1989), S. 417-425 
    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 magnetooptical properties (B terms) vibronically induced have been calculated for a series of carbonyl compounds in the region of the first absorption band. The rules deduced experimentally for the signs and sizes of the B terms induced by vibrations of different symmetry are generally confirmed by these calculations.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560360322
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  • 8
    Electronic Resource
    Electronic Resource
    Theoretical analysis of the resonance Raman spectrum of tryptophan (1991)
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 22 (1991), S. 361-365 
    Details
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The resonance Raman excitation profiles of tryptophan in the region 240-200 nm were calculated, taking into account the molecular properties of its chromophore, indole. The relevant quantities such as state displacements and vibronic coupling terms were evaluated by means of quantum mechanical semi-empirical methods. The results allow the identification of the strongest modes and of the main mechanism governing the Raman scattering. It is found that the spectrum is dominated by the terms in resonance with the Bb and Ba states of indole, with possible interference between these contributions. The vibronic effects, negligible in resonance, become important in preresonance regions.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jrs.1250220702
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