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  • 1
    Electronic Resource
    Electronic Resource
    Evaluation of computing capabilities of a hierarchy of mini-to-supercomputers: Applications to ion microscopic analysis (1988)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 2 (1988), S. 189-202 
    Details
    ISSN: 0886-9383
    Keywords: Computing system performance evaluation ; Ion microscopic analysis ; Digital image processing ; Monte Carlo simulations ; Supercomputer ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: There has been a steadily increasing demand for more computational power in surface and interface analysis. This paper reports attempts to meet these demands through the use of different computing systems, ranging from minicomputer to supercomputer. Representative laboratory data processing programs for ion microscopic analysis are used to evaluate the performance of each system. The bottlenecks and other problems involved in running analytical programs on faster machines are identified and discussed. Results indicate that in order to attain the optimal cost-performance ratio, programs must be tailored to specific forms required by the computing system. Algorithms must be formulated to exploit available vector and parallel processing capabilities.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180020304
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  • 2
    Electronic Resource
    Electronic Resource
    Fast-Atom bombardment mass spectrometry of the organometallic parasiticide, meglumine antimonate (1995)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 9 (1995), S. 372-376 
    Details
    ISSN: 0951-4198
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: The mass spectrometry of an organometallic parasiticide used for treatment of leishmaniasis was studied using primarily fast-atom bombardment with complementary studies conducted using electrospray ionization. The positive-ion mass spectrum of meglumine antimonate contained ions with characteristic antimony isotope ratios (57:43) at m/z 627/629, 507/509, 406/408 and 314/316. There was also evidence of ion clusters containing antimony atoms (Sb1-3), which decompose to the mass 507/509 species under acid pH conditions. For meglumine antimonate, an empirical formula C14H30O10N2Sb (molecular weight 507) is proposed with a structure containing four Sb—O bonds in a symmetrical geometry.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/rcm.1290090503
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  • 3
    Electronic Resource
    Electronic Resource
    Recognition of functional groups by chemical ionization mass spectrometry (1978)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 5 (1978), S. 604-611 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A means of recognition of functional groups in organic molecules using chemical ionization mass spectrometry is described. Mass spectra of 34 C27-steroids using methane, isobutane and ammonia as reagent gases are recorded and correlations with structure proposed. Ammonia chemical ionization spectra are most instructive, generally yielding abundant ions of four types: an ammonium adduct [M+ NH4]+, an ammonia displacement ion [M + NH3 - X]+, a protonated molecular ion [M + H]+ and an elimination ion [M - X]+. Both the [M + H]+ and [M - X]+ ions appear to derive from the ammonium adduct [M + NH4]+, and the ion [M + NH3 - X]+ derives by a nucleophilic displacement of an elimination fragment X by neutral ammonia. Steroid ketones and olefins give predominantly [M + NH4]+ and [M + H]+ ions, whereas alcohols and esters give a three-component pattern of [M + NH4]+, [M + NH3 - X]+ and [M - X]+ ions. Spectra derived using methane or isobutane as reagent gas contain three major ion types: the protonated molecular ion [M + H]+, the hydride abstraction ion [M - H]+ and the elimination ion [M - X]+. Steroid ketones give the [M + H]+ion predominantly; the olefins give both [M + H]+ and [M - X]+ ions. Steroid alcohols give [M + H]+, [M - X]- ions. Recognition by these means of functionality in nonsteroid compounds appears also to be possible.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200051103
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  • 4
    Electronic Resource
    Electronic Resource
    Chemical ionization mass spectrometry of steroids and other lipids (1984)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 3 (1984), S. 319-355 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280030302
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  • 5
    Electronic Resource
    Electronic Resource
    Active hydrogen by chemical ionization mass spectrometry (1979)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 6 (1979), S. 15-18 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A means of determination of active hydrogen of hydroxyl, carboxyl, sulfhydryl, amino, amido and sulfonamido groups by chemical ionization mass spectrometry using ammonia and trideuterioammonia as reagent gases is described. The method is based on exchange of active hydrogen for deuterium occurring during the chemical ionization process using trideuterioammonia, with comparison of m/z for ammonium adduct [M+NH4]+ and trideuterioammonium adduct [M-nH+nD+ND4]+, or of protonated molecular ion [M+H]+ and deuteronated molecular ion [M-nH+nD+D]+ yielding the number of active hydrogens. Applications have been made to several classes of biologically important compounds.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200060104
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  • 6
    Electronic Resource
    Electronic Resource
    Direct monitoring of sequential enzymatic hydrolysis of peptides by thermospray mass spectrometry (1984)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 11 (1984), S. 403-407 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A procedure for peptide sequencing using an immobilized exopeptidase column directly coupled to a thermospray mass spectrometer is described. The amino acids sequentially released from the C-terminus of the peptide chain are directly introduced into a thermospray ion source by a flowing aqueous buffer. The buffer is essential for the direct production of ions from solution. The method eliminates the need to derivatize the amino acids for detection and, by comparison to standard injections, amino acid sequence information can be obtained in less than two minutes. With the present configuration, detection limits are typically in the low picomolar range.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200110808
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  • 7
    Electronic Resource
    Electronic Resource
    Optimizing the gas chromatographic separation and detection of polychlorinated biphenyls by use of electronic pressure programming and experimental design (1994)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994), S. 784-791 
    Details
    ISSN: 0935-6304
    Keywords: Capillary GC ; Polychlorinated biphenyls ; Electronic pressure programming ; Experimental design ; Optimization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The applicability of electronic pressure control and Taguchi L27 experimental design to the optimization of the gas chromatographic separation and detection of polychlorinated biphenyls has been evaluated. The influence of several experimental variables, column temperature program, carrier gas pressure program, on-column injector temperature program, and make-up gas pressure program, was studied using analysis of variance. Simultaneous optimization of sample introduction, column efficiency, and detector performance could be achieved without compromising system performance. The relationships between system performance and experimental variables were established using regression analysis. Agreement between the simulated and experimental results obtained using suggested optimum conditions demonstrated the applicability of the technique developed in this study. The improvement achieved in the chromatographic separation of PCBs is presented.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240171111
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  • 8
    Electronic Resource
    Electronic Resource
    Modification of the inner capillary surface by the sol-gel method: Application to open tubular electrochromatographyPresented at the 17th International Symposium on Capillary Chromatography and Electrophoresis, Wintergreen, Virginia, USA, May 1995. (1995)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Microcolumn Separations 7 (1995), S. 485-491 
    Details
    ISSN: 1040-7685
    Keywords: open tubular electrochromatography ; sol-gel coating materials ; stationary phase ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The sol-gel procedure was used to prepare an organically modified silica glass coating material which was used as the stationary phase for reversed-phase open tubular electrochromatography. The unique column preparation scheme is simplified by combining the synthesis of the stationary phase and the attachment of the supporting porous glass matrix in a single-step procedure. This approach significantly increases surface area which results in a higher phase ratio. Controlling the amount of the precursor materials used in the sol-gel solution provides a means to adjust the carbon content in the stationary phase. The column performance was evaluated using a test mixture of polycyclic aromatic hydrocarbons; under certain experimental conditions, efficiencies around 500,000 theoretical plates per meter were obtained for some test solutes.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mcs.1220070508
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  • 9
    Electronic Resource
    Electronic Resource
    Ion-molecule reactions of C60Rh+ with CH3X, C6H5X(X = Cl, Br, I) and CH2I2 (1995)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 30 (1995), S. 834-840 
    Details
    ISSN: 1076-5174
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The gas-phase ion-molecule chemistry of exohedrally bound C60Rh+ with CH3X, C6H5X (X = Cl, Br, and I) and CH2I2 is studied using Fourier transform ion cyclotron resonance mass spectrometry. Reactions with CH3I and CH2I2 yield the buckminsterfullerene derivatives, C60CH3+ and C60CH2+, respectively. Energy resolved collisional activation experiments on these two product ions indicate that the methylene group is more strongly bound to C60 than the methyl group. This is consistent with methylene being bound by two carbon-carbon bonds to C60, while methyl is bound by a single carbon-carbon bond. Unlike CH3I, CH3Cl and CH3Br react with C60Rh+ in a stepwise fashion to yield C60Rh(CH2)n+ (n = 1 - 3). Interestingly, C60Rh(CH2)2,3+ are shown to be isomers of C60RhX+ (X = ethene, propene), possibly with a carbon-carbon bond formed with C60. Products containing more than three CH2 moieties were not observed. Reactions of C60Rh+ with C6H5X(X = Cl, Br, and I) yield C60Rh(C6H4)n+ (n = 1, 2), in a stepwise fashion via losses of HX. C60Rh(C6H4)2+ is unreactive with C6H5X. Again, indirect evidence for C—C bond formation to C60 is obtained. Consistent with previous observations on C60Fe+ C60Co+, the Rh+-C60 bond energy is found to fall between those of Rh+-propene and Rh+-benzene, due to the alkene behavior of C60.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jms.1190300608
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  • 10
    Electronic Resource
    Electronic Resource
    Formation of buckministerfullerene phenylene derivatives in the gas phase (1995)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 30 (1995), S. 194-200 
    Details
    ISSN: 1076-5174
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The gas-phase chemistry of Fe(C6H4)n+ (n = 1-6) with C60 is studied by using Fourier transform ion cyclotron resonance mass spectrometry. The formation of some ionic phenylene derivatives and metallacyclic derivatives of C60 is observed. Specifically, Fe+, generated by laser desorption, reacts with chlorobenzene to form iron-benzyne, FeC6H4+, which initiates further reactions with chlorobenzene to form Fe(C6H4)2-6+ and (C6H4)2-5+. Fe(C6H4)1-4+ react with C60 to form metalated fullerene derivatives, C60Fe(C6H4)1-4+. C60Fe(C6H4)1, 2+ undergo a demetalation reaction with chlorobenzene to yield the fullerene phenylene derivatives C60(C6H4)1, 2+, 8 and 9, through formation of C—C bonds with C60. CID experiments and kinetic analysis indicate that each of the C60Fe(C6H4)1, 2+ species consists of a single isomer, presumably the metallacycles 12 and 14. Consistent with the typical reactions of metal-benzyne complexes with alkenes in the condensed phase, these metallacyclic structures are believed to be formed through coupling of one of the double bonds at the 6,6 ring junction in C60 with an Fe—C σ bond of Fe(benzyne)+. These results are consistent with the notion that C60 acts like an electron deficient alkene rather than an aromatic molecule, and suggest a possible synthetic route to prepare this type of metallo-C60 derivatives in the condensed phase. Finally, ligand displacement reactions yield a bond dissociation energy of D°(Fe+—C60) = 44 ± 7 kcal/mol.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jms.1190300129
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