Library

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • 1985-1989  (5,836)
  • 1975-1979  (3,254)
  • 1920-1924
  • Analytical Chemistry and Spectroscopy  (9,090)
Source
Material
Years
Year
Keywords
  • 101
    Electronic Resource
    Electronic Resource
    Masthead (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989) 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180101
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 102
    Electronic Resource
    Electronic Resource
    Detection of residues of chloramphenicol in crude extracts of fish and milk by tandem mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 5-11 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The collision-induced dissociation mass spectrum, observed with a hybrid tandem instrument, of the ammonia chemical ionization protonated molecular ion of chloramphenicol was used for the detection of residues of the drug in biological samples. The extracted oil from fish was subjected to a rapid clean-up on a pre-packed silica gel cartridge prior to non-chromatographic tandem mass spectral analysis. Fat extracted from milk was analysed directly by on-line combined high-performance liquid chromatography/tandem mass spectrometry with rapid elution of chloramphenicol. Identification was on the basis of agreement of the daughter ion spectra obtained from sample extracts with that of the chloramphenicol standard. Detection was unambiguous at 0.5 mg kg-1. The sensitivity advantage normally expected with multiple reaction monitoring was not achieved owing to the effect of neutral noise phenomena.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180103
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 103
    Electronic Resource
    Electronic Resource
    Isolation, purification and structure elucidation of cyclosporin a metabolites in rabbit and man (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 48-56 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Metabolism of cyclosporin A (CsA) was studied in a model of isolated and perfused rabbit liver, and in man. After diethyl ether extraction, CsA metabolites were separated and successfully purified by a combination of two highperformance liquid chromatographic (HPLC) procedures. A normal-phase HPLC methodology was used to separate most of the metabolites, and further separation and purification were optimized with a reversed-phase HPLC method. 27 different CsA metabolites were separated, collected, and characterized by fast atom bombardment mass spectrometry. In addition to several metabolites already described (OL-1, OL-17, OL-18 and OL-21), new compounds (of original molecular weights 1236, 1222 and 1174, and numerous structural isomers of previously reported molecular weights) were isolated from rabbit and human bile. Mass spectral analysis of two of these new metabolites strongly suggests vicinal dihydrodiol (mol. wt 1236) and N-demethylated vicinal dihydrodiol (mol. wt 1222) structures. These two new metabolites most probably derive from an epoxide as a preliminary intermediate.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180107
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 104
    Electronic Resource
    Electronic Resource
    Packed capillary liquid chromatography/mass spectrometry using a moving belt interfacePresented in part at the American Society for Mass Spectrometry 35th Annual Conference, Denver, 1987 and at the 17th Annual Symposium on the Analytical Chemistry of Pollutants, Jekyll Island, 1987. (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 77-82 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Packed capillary liquid chromatography/mass spectrometry using a moving belt interface is a practical, versatile technique for the identification of unknowns. The low flow rates (1-2 μl min-1) improve the operation of the moving belt and allow direct deposition of eluates from reversed-phase liquid chromatographic columns containing large proportions of water. Column performance and durability is equivalent to that obtained with conventional or microbore liquid chromatographic columns. Techniques have been developed for analyzing dilute solutions with no loss in column performance and for the detection of radiolabeled metabolites. Applications to analyses of polar, thermally labile compounds and environmental samples are presented.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180111
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 105
    Electronic Resource
    Electronic Resource
    Charge-exchange reactions with water in the detection of perfluorocarbons by thermospray liquid chromatography/mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 106-109 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Perfluorocarbons (PFCs) can be detected by thermospray liquid chromatography/mass spectrometry (LC/MS) only when the system is operated in the negative ion mode with filament on and some water entering the thermospray source. A new mechanism for PFC ionization is proposed, based on studies of LC/MS detection of the perfluorinated forms of cyclohexane, methyl and dimethyl cyclohexane, decalin, 1-methyl decalin and toluene. The ion evaporation mechanism of Dodd, involving pre-ionization of PFCs in the presence of aqueous NH4OAc, is not operative, nor is chemical ionization of PFCs by the reagent ions as in true thermospray LC/MS. Instead, PFC ionization is attributable to the negative ions formed from the water in the source; these ions undergo prompt charge-exchange reactions with the more electronegative PFCs to form structure-retaining PFC ions.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180204
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 106
    Electronic Resource
    Electronic Resource
    Suppression effects in peptide mapping by plasma desorption mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 131-137 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Suppression effects observed in plasma desorption (PD) mass spectrometry have been studied and compared to those found in fast atom bombardment mass spectrometry. A basic difference in the mechanism of suppression in the two techniques is demonstrated. In positive ion mode PD mass spectrometry, peptides carrying net positive charges are preferentially detected when analysed together with peptides carrying net negative charges, and in negative ion mode PD mass spectrometry, the situation is generally reversed. Based on this complementarity, PD mapping carried out by enzymatic digestion of a nitrocellulose-bound sample can in many cases yield almost complete coverage of smaller proteins.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180208
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 107
    Electronic Resource
    Electronic Resource
    Fast atom bombardment and fast atom bombardment collision-activated dissociation/mass-analysed ion kinetic energy analysis of C-glycosidic flavonoids (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 122-130 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Fast atom bombardment (FAB) mass spectrometry and FAB tandem mass spectrometry in negative mode can provide molecular weight and very useful structural prior information for C-glycosyl flavonoids without derivatization. Diethanolamine or thioglycerol matrix gave an abundant deprotonated molecular ion for all the studied compounds. Mass-analysed ion kinetic energy (MIKE) and collision-activated dissociation/MIKE spectra provide characteristic fragment ions which permit differentiation of the 6- and/or 8-location, and the position of O-glycosylation.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180207
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 108
    Electronic Resource
    Electronic Resource
    Fast atom bombardment mass spectrometric investigation of in vitro degradation within the disulfide-linked core of atrial natriuretic factor (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 12-19 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of high-performance liquid chromatography and fast atom bombardment mass spectrometry are shown to be an efficient combination for investigating protease-mediated digestion of synthetic analogs of the peptide hormone ANF (atrial natriuretic factor). As examples of the reported methodology, rANF5-23-NH2 and rANF7-23-NH2 were digested with the endopeptidase thermolysin. These truncated analogs were selected to investigate metabolism within the disulfide-linked core of ANF, particularly at the Cys7—Phe8 bond. While this position was the site of initial hydrolysis for rANF5-23-NH2 (t1/2 = 0.5 min), the Cys7—Phe8 bond remained intact for all observed degradation products of rANF7-23-NH2 (t1/2 = 16 min). These findings suggest that improved stability towards endopeptidase-mediated core hydrolysis may be conferred to analogs of ANF by removal of the first six residues from the N-terminus.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180104
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 109
    Electronic Resource
    Electronic Resource
    The differentiation of methyl guanosine isomers by laser ionization fourier transform mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 265-277 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Laser ionization of guanosines containing methyl substitutions in the 1-, N2-, 3′-O-, O6- and 7- positions generated two characteristic negative ions: loss of hydrogen to generate [M - H]- and elimination of the sugar ring to form the nucleic base ion. The ions generated by elimination of the sugar ring provided the information necessary to determine whether the methyl group was on the nucleic base or sugar ring. Fourier transform mass spectrometry was used to isolate and collisionally dissociate selected negative ions from these nucleosides. The collisional dissociation spectra indicated daughter ions which were sufficient to differentiate all the isomers with methyl substitution of the nucleic bases. In addition, accurate mass measurement an dsequential collisional dissociation experiments were employed to investigate fragmentation mechanisms.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180410
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 110
    Electronic Resource
    Electronic Resource
    Laser-induced vaporization mass spectrometry of rifamycins (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 301-307 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectra of many rifamycins cannot be obtained by electron ionization (EI) owing to their thermal decomposition. When a laser beam is used to vaporize the sample through an optic fibre inserted in a hollow probe which reaches the sample cup, decomposition is minimized and the EI spectra show abundant molecular ions and fragments of structurally high diagnostic value. These ionic species are easily observed owing to the lack of chemical noise often present in soft ionization methods, such as direct liquid chemical ionization and fast atom bombardment.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180504
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 111
    Electronic Resource
    Electronic Resource
    Mixed silyl ether-perfluoroacyl ester derivatives for gas chromatography/mass spectrometry of oestrogens. Application to the quantitative determination of oestriol in human plasmaPresented in part at the 11th International Mass Spectrometry Conference, Bordeaux, 29th August-2nd Spetember, 1988. (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 314-320 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The conversion of oestrogens mixed derivatives comprising a phenolic silyl ether and one or more alcoholic perfluoroactyl ester(s) is described. They are easily formed in quantitative yield and have excellent gas chromatographic and mass spectrometric properties, making them suitable for analysis by selected ion monitoring. Reaction mechanisms are examined which propose explanations for the experimentally observed optimal reaction conditions. The 3-t-butyldimethylsilyl ether-16α 17β-bis(pentafluoropropionate) has been used for the quantitative determination of oestriol in plasma by gas chromatography/mass spectrometry using a stable isotope internal standard. Comparison with the pertrimethylsilyl ether of oestriol indicates higher specificity and better precision for low-level (〈0.5 ng ml-1) estimations.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180506
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 112
    Electronic Resource
    Electronic Resource
    On-line generation of fast atom bombardment spectra with particle beam liquid chromatography/mass spectrornetry interfaung (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 355-357 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180511
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 113
    Electronic Resource
    Electronic Resource
    Deuterium-labeled 3-nitrobenzyl alcohol as a matrix for fast atom bombardment mass spectrometry1 (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 1087-1095 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The utility of deuterium-labeled 3-nitrobenzyl alcohol (DNBA) as a fast atom bombardment (FAB) matrix for establishing the number of exchangeable hydrogens present in a molecule is illustrated by the analysis of five selected antitumor agents. A method for the simple preparation of this labeled matrix is described. The use of DNBA may be of value for samples which provide no FAB spectra when deuterium-labeled glycerol is used as a matrix.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200181209
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 114
    Electronic Resource
    Electronic Resource
    Determination of the photodegradation products of basic yellow 2 by thermospray high-performance liquid chromatography and gas chromatography/mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 1079-1086 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Like most dyes, Basic Yellow 2 (BY-2) fades upon prolonged exposure to light. Light-induced fading is a complex process that is also affected by heat and humidity. In order to better understand the photodegradation process and to identify the various photodegradation products of BY-2, fabric samples and solutions containing BY-2 were exposed to a variety of fading conditions. The analysis of faded BY-2 dyed fabric extracts by high-performance liquid chromatography/mass spectrometry (HPLC/MS) indicated the reduction and hydrolysis of the C=NH2+ group to form primarily benzophenone derivatives, as well as various demethylated products. Due to the absence of fragmentation in the thermospray spectra (only [M + H]+ ions were observed) the dye extracts were analyzed by gas chromatography/mass spectrometry (GC/MS) to confirm the identity of the degradation products. Many of the degradation products were sufficiently volatile for analysis by GC/MS. Mass spectra of the photodegradation products of BY-2 exhibited molecular ions and structurally important fragment ions to complement the thermospray data. The mass spectral data indicated that the most prevalent degradation product formed was ((CH3)2NC6H4)2C=0 (Michler's ketone). Hydrolysis of the C=NH2+ group to C=0 is the main color-destroying reaction in the fading of BY-2. Demethylation products which can alter the shades of color were also detected in the faded BY-2 samples.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200181208
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 115
    Electronic Resource
    Electronic Resource
    Isotope dilution assay for urinary methanesulfinic and methanesulfonic acids: Application to detection of methylthio turnover (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 1096-1098 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Methanesulfinic and methanesulfonic acids were shown to be present in urine from rats fed laboratory rat diet. The daily excretions of each acid were equivalent at 0.47 μmol day-1. The excretion of methanesulfinic acid increased about ninefold and that of methanesulfonic doubled when rats were dosed with 17 μmol of pentachlorothioanisole. The excretion of methanesulfinic acid above control levels in urine may be a method for detecting methylthio displacements that occur during the intermediary metabolism of xenobiotics.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200181210
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 116
    Electronic Resource
    Electronic Resource
    Forthcoming events (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 1105-1105 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200181213
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 117
    Electronic Resource
    Electronic Resource
    Diary (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030102
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 118
    Electronic Resource
    Electronic Resource
    Masthead (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030101
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 119
    Electronic Resource
    Electronic Resource
    Editorial (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 1-1 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030103
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 120
    Electronic Resource
    Electronic Resource
    A multiblock partial least squares algorithm for investigating complex chemical systems (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 3-20 
    Details
    ISSN: 0886-9383
    Keywords: Algorithm ; Computer program ; Data modeling ; Latent variables ; Multiblock ; Multivariate ; PLS ; Process model ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The details of a general multiblock partial least squares (PLS) algorithm based on one originally presented by Wold et al. have been developed and are completely presented. The algorithm can handle most types of relationships between the blocks and constitutes a significant advancement in the modeling of complex chemical systems. The algorithm has been programmed in FORTRAN and has been tested on two simulated multiblock problems, a three-block and a five-block problem. The algorithm combines the score vectors for all blocks predicting a particular block into a new block. This new block is used to predict the predicted block in a manner analogous to the two-block PLS. In a similar manner if one block predicts more than one other block, the score vectors of all predicted blocks are combined to form a new block, which is then predicted by the predictor block as in the two-block PLS. Blocks that both predict and are predicted are treated in such a way that both of these roles can be taken into account when calculating interblock relationships. The results of numerical simulations indicate that the computer program is operating properly and that the multiblock PLS produces meaningful and consistent results.
    Additional Material: 9 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030104
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 121
    Electronic Resource
    Electronic Resource
    Characterization of the effect of peak shifts on the performance of the Kalman filter in multicomponent analyses (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 21-32 
    Details
    ISSN: 0886-9383
    Keywords: Kalman filter ; Multicomponent analysis ; Fluorescence spectral shifts ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effect of peak shifts on the performance of a Kalman filter multicomponent analysis algorithm has been investigated. A series of Gaussian test systems were employed to characterize the concentration estimation errors and the morphology of the on-line residuals (the innovations sequence). Both forward and reverse filters were used in the generation of the innovations sequences. It was found that the difference between the forward and reverse innovations sequences gave an accurate indication of the direction and magnitude of the peak shift. A series of overlapped two-component systems were also investigated. Again, a correlation between the difference innovations and the degree of the response shift was observed. The behavior of the Kalman filter in fitting the shifted fluorescence emission spectrum of benzo[a]pyrene was also examined. The response for benzo[a]pyrene in cyclohexane solution was compared to that obtained on the surface surface of a reversed phase thin layer chromatography plate. A red shift of 4 nm was detected for the surface spectrum by observing the difference innovations sequence. This approach holds promise for correction of response shifts in multicomponent systems.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030105
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 122
    Electronic Resource
    Electronic Resource
    Relationships between higher-order data array configurations and problem formulations in multivariate data analysis (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 33-48 
    Details
    ISSN: 0886-9383
    Keywords: Higher-order data arrays ; Dimensionality ; Data modelling ; Classification ; Discrimination ; Correlation ; Regression ; Systematics of data analysis ; Opportunities for future developments ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A scaffold for detailed understanding of the concept ‘dimensionality’ in data analysis is furnished by a systematic classification of higher-order data array configurations. Three major types of problem formulation in multivariate data analysis can be characterized for relevant data classes: 1data description (intra-class data structure modelling of inter-object and inter-variable relationships)2classification (inter-class discrimination)3correlation, regression (inter-variable relationships).The relationship between these three categories of data analytical problem formulation and the fundamental data array classification is exposed. These relations are augmented to include the general case of data arrays of order R, and R-way data analysis with the use of bilinear projections is presented. Based upon this, some possible directions for the future development of data analysis may be imagined.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030106
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 123
    Electronic Resource
    Electronic Resource
    Statistical F-tests for abstract factor analysis and target testingPresented in the poster session at The Second Hidden Peak Symposium on Computer-Enhanced Analytical Spectroscopy, Snowbird, Utah, 1-3 June 1988. (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 49-60 
    Details
    ISSN: 0886-9383
    Keywords: Principal component analysis ; Factor analysis ; Singular value decomposition ; Eigenvalue analysis ; Multivariate analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Fisher variance ratio tests are developed for determining (1) the number of statistically significant abstract factors responsible for a data matrix and (2) the significance of target vectors projected into the abstract factor space. F-tests, developed from the viewpoint of vector distributions, are applied to various data sets taken from the chemical literature.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030107
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 124
    Electronic Resource
    Electronic Resource
    Program for processing of historical laboratory data based on fuzzy set theory as a tool for decision support (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 81-95 
    Details
    ISSN: 0886-9383
    Keywords: Fuzzy set theory ; Classification ; Data reduction ; Historical laboratory data ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A computer program (FEA) is presented for processing historical laboratory data. It performs on a list of sample entries stored in a laboratory information management system. Using an algorithm which is based on fuzzy set theory, FEA classifies the entries into a limited number of clusters called sample types. The classification is fully user-defined. The program transforms the historical data into a representation which is more suitable for studying the performance of the laboratory or which can be used as preparation for a simulation project.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030109
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 125
    Electronic Resource
    Electronic Resource
    Chemical information from electroanalytical data. Part 1 - Determination of system parameters for quasi-reversible electron transfer reactions from cyclic voltammetric test data and data for the reduction of cerium (IV) bis(octaethylporphyrinate) (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 61-80 
    Details
    ISSN: 0886-9383
    Keywords: Parameter estimation ; Cyclic voltammetry ; Quasi-reversible electron transfer reactions ; Cerium (IV) bis(octaethylporphyrinate) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Values of the peak potential, the peak current function and the peak potential difference are extracted from simulated cyclic voltammograms of a quasi-reversible electron transfer reaction. Variations of the feature values are described by empirical functions of the model parameters α (transfer coefficient) and ψ′ (dimensionless form of the heterogeneous electron transfer rate constant ks) using multiple linear regression. These functions are used to determine the system parameters α and ks from test data sets of feature values. The predictive power of the features is discussed. It is shown that several features can be used simultaneously in the analysis. Also, α, ks, the formal potential E0 and the diffusion coefficient D can be estimated simultaneously. Experimental data from the metal-centered one-electron reduction of cerium (IV) bis(octaethylporphyrinate), Ce(OEP)2, are analyzed using the technique, and values of the system parameters for this electrochemical reaction are determined.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030108
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 126
    Electronic Resource
    Electronic Resource
    4th International Conference on Chemometrics in Analytical Chemistry (CAC), Amsterdam, The Netherlands. 18-20 May 1988 (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 97-98 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030110
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 127
    Electronic Resource
    Electronic Resource
    Quantitative structure chromatographic retention relationships, R. Kaliszan; Chemical Analysis Vol. 93, Wiley Interscience. 303 pages. Price: £57.50. ISBN 0471-85983-4, (1988) (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 98-99 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030111
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 128
    Electronic Resource
    Electronic Resource
    Computation of solution equilibria - a guide to methods in potentiometry, extraction and spectrophotometry, M. Meloun, J. Havel and E. Högfeldt; Ellis Horwood Ltd., Chichester, 1988. Price: £45.00. ISBN 0-745-80201-X (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 99-99 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030112
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 129
    Electronic Resource
    Electronic Resource
    Multivariate chemometrics in QSAR. A dialogue, Peter P. Mager, Research Studies Press, Ltd., Letchworth, Hertfordshire, England, 1988, Price: £49.50, ISBN 0-86380-054-8 (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 100-100 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030113
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 130
    Electronic Resource
    Electronic Resource
    Masthead (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030201
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 131
    Electronic Resource
    Electronic Resource
    Diary (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030202
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 132
    Electronic Resource
    Electronic Resource
    The performance of least squares and robust regression in the calibration of analytical methods under non-normal noise distributions (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 329-342 
    Details
    ISSN: 0886-9383
    Keywords: Calibration ; Robust regression ; Iteratively reweighted least squares ; M-estimator ; Monte Carlo simulations ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By means of Monte Carlo simulations a comparison has been made between ordinary least squares regression and robust regression. The robust regression procedure is based on the Huber estimate and is computed by means of the iteratively reweighted least squares algorithm. The performance of both procedures has been evaluated for estimation of the parameters of a calibration function and for determination of the concentration of unknown samples. The influence of the distributional characteristics skewness and kurtosis has been studied, and the number of measurements used for constructing the calibration curve has also been taken into account. Under certain conditions robust regression offers an advantage over least squares regression.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030203
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 133
    Electronic Resource
    Electronic Resource
    Principal components regression for routine multicomponent UV determinations: A validation protocol (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 343-357 
    Details
    ISSN: 0886-9383
    Keywords: Principal components regression ; Factorial design ; Hypothesis testing ; Assay validation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A validation protocol for multicomponent spectroscopic assays based on principal components regression is described. Factorial design and hypothesis tests are used to establish the linearity and absence of interaction between components in the regression model. Testing considers multiple response variables simultaneously so that correlation between residuals is properly treated. Assay reproducibility and sensitivity to related substances are evaluated.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030204
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 134
    Electronic Resource
    Electronic Resource
    Use of replication and signal-to-noise ratios in the identification and estimation of the composition of lubricant basestock mixtures using 13C nuclear magnetic resonance spectroscopy and projection into principal component/canonical variates space (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 359-374 
    Details
    ISSN: 0886-9383
    Keywords: Abstract factor analysis ; Target transformation factor analysis ; Signal-to-noise ratios ; Canonical variates analysis ; 13C NMR spectroscopy ; Mixture constituent identification and estimation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The theory of experimental error in analysis of mixture experiments by abstract factor analysis or target transformation factor analysis is considered. The theoretical implications of using signal-to-noise ratios (as weights) or canonical variates analysis to reduce the level of imbedded error in the factor model are examined. The approach is illustrated by application to 13C NMR spectra of lubricant basestock mixtures.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030205
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 135
    Electronic Resource
    Electronic Resource
    A non-parametric class modelling technique (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 375-395 
    Details
    ISSN: 0886-9383
    Keywords: Non-parametric method ; Pattern recognition ; Classification ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A non-parametric method for supervised pattern recognition is presented. The method is of the class modelling type, meaning that a classification rule is developed for each class, using the dissimilarities between the objects of the class. The dissimilarities between the objects within a class are related to the distances between all pairs of training objects. As distance metric, a measure is proposed that takes the correlation between the interval-scale variables into account, and that moreover can be used for mixed types of variables. The classification rule is based on the construction of a boundary in the measurement space. For the determination of the class boundary, several strategies are proposed and compared.The performance of the technique is evaluated on the basis of several data sets. Comparison with the class modelling technique UNEQ shows its usefulness for practical application.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030206
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 136
    Electronic Resource
    Electronic Resource
    Variance-decomposition of pure-component spectra as a measure of selectivity (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 409-418 
    Details
    ISSN: 0886-9383
    Keywords: Multivariate calibration ; Singular value decomposition ; Regression diagnostics ; Collinearity ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Care is required for multicomponent analysis if misleading results are to be avoided. The problem of ill-conditioned calibration matrices is of primary concern. This type of numerical instability is represented as spectral overlap of calibration spectra. Depending on the degree of spectral overlap, the sample concentration estimates can be severely affected. A practical statistical procedure is discussed which tests for the presence of spectral overlap among the pure-component spectra and simultaneously assesses the degree that concentration estimates may be degraded. Guidelines are developed to ascertain how much departure from spectral orthogonality is acceptable.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030208
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 137
    Electronic Resource
    Electronic Resource
    Dried grass silage analysis by NIR reflectance spectroscopy - A Comparison of stepwise multiple linear and principal component techniques for calibration development on raw and transformed spectral data (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 397-407 
    Details
    ISSN: 0886-9383
    Keywords: NIR reflectance ; Multivariate analysis ; Principal component analysis ; Stepwise multiple linear regression ; Silage quality ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Calibrations to predict crude protein (CP) and in vitro dry matter digestibility (IVDMD) in dried grass silage from reflectance data collected at 19 wavelengths on an InfraAlyzer 400R have been developed using stepwise multiple linear (SML) and principal component (PC) regression techniques. A direct comparison of the efficacy of each multivariate technique in this applications has been possible by using identical calibration development and evaluation sample sets. The effect of two data transformation steps prior to PC regression was also investigated. PC regression of raw reflectance data yielded no significant improvement in the standard errors of prediction (SEP) for CP and IVDMD over those obtained by SMLR, viz. 0·61 vs 0·63 and 2·9 vs 3·0 respectively. Computation time for development and evaluation of the PC regression equation was less than for selection of the best SMLR equation, and PCR equations may be more robust. Data transformation to reduce granularity effects prior to PCR did not produce any improvement in predictive accuracy for either IVDMD or CP.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030207
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 138
    Electronic Resource
    Electronic Resource
    Can image analysis provide information useful in chemistry? (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 419-429 
    Details
    ISSN: 0886-9383
    Keywords: Image analysis ; Chemical imaging ; Multivariate image analysis ; Image analysis for non-imaging techniques ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Images can contain chemical information and many chemical methods can generate image data. For an efficient extraction of chemical data from images, data analysis techniques are necessary. It is a great advantage to be able to work on multivariate images. Many imaging techniques allow the extraction of chemical information. Inorganic analytical chemistry seems to have the longest tradition here, but organic chemistry and biochemistry may soon be catching up. Also large data arrays from non-imaging techniques can be combined with image analysis in a useful way, provided certain conditions are fulfilled.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030209
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 139
    Electronic Resource
    Electronic Resource
    The wavelength component vectorgram: A tool for resolving two-component fluorescent mixtures (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 431-441 
    Details
    ISSN: 0886-9383
    Keywords: Resolution of mixtures ; Excitation-emission matrices ; Eigenanalysis ; Wavelength component vectorgram ; Total luminescence spectroscopy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We consider the problem of resolving the total luminescence spectra of two-component mixtures. Non-negativity of the constituent spectra is commonly used as a criterion to accomplish this resolution, but its application seldom leads to unique answers. Sometimes, the condition must be relaxed because no solution satisfying non-negativity exists. In these cases judgments must be made concerning which parts of the spectra will be allowed to go negative and by how much.The wavelength component vectorgramn (WCV) is presented here as a tool for assisting the experimenter in making these judgments. Even when non-negative resolutions exist, it may happen that resolutions with slight negative elements will more closely match the spectra of the pure constituents. The WCV can also be used as a tool for detecting these cases. The methodology is illustrated with real data from a two-component mixture.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030210
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 140
    Electronic Resource
    Electronic Resource
    Condition numbers, iterative refinement and error bounds (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 443-449 
    Details
    ISSN: 0886-9383
    Keywords: Multicomponent analysis ; Iterative refinement ; Simplex method ; Condition numbers ; Linear programming ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Concentration estimates of components present in a sample mixture can be obtained using matrix mathematics. In the past, the condition number of the calibration matrix has been used to give an amplification factor by which uncertainties in data can work through to errors in the concentration estimates. This paper explores an additional interpretation of condition numbers with regards to significant figures and rounding errors. A procedure is suggested which will always give the most accurate concentration estimates provided the calibration matrix is not too ill-conditioned. Condition numbers have also been used by analytical chemists to discuss the error bounds for concentration estimates. Unfortunately, only one representative error bound can be approximated for all the components. This paper will show how to compute bounds for individual concentration estimates obtained as solutions to a system of m equations and n unknowns. The procedure is appropriate when calibration data and sample responses are inaccurate.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030211
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 141
    Electronic Resource
    Electronic Resource
    Flavour science and technology, Edited by: M. Martens, G. A. Dalen and H. Russwurm Jr., Wiley, Chichester, No of pages: 566. Price: £47.50. ISBN 0 471 91743 5 (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 451-452 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030212
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 142
    Electronic Resource
    Electronic Resource
    Announcements (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 453-453 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030213
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 143
    Electronic Resource
    Electronic Resource
    Product news (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 453-453 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030214
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 144
    Electronic Resource
    Electronic Resource
    Masthead (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030301
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 145
    Electronic Resource
    Electronic Resource
    Diary (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030302
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 146
    Electronic Resource
    Electronic Resource
    Evolving factor analysis applied to flow injection analysis dataPresented at The Second Hidden Peak Symposium on Computer-Enhanced Analytical Spectroscopy, Snowbird, UT, 1-3 June 1988. (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 455-461 
    Details
    ISSN: 0886-9383
    Keywords: Evolving factor analysis ; Flow injection analysis ; Self-modeling curve resolution ; Bismuth chloride complexes ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Evolving factor analysis is used to estimate the concentration profiles and spectra of Bi3+ and the bismuth chloride complexes BiC12+ through BiCl63- formed by injection of bismuth perchlorate into a flowing stream of 1·0 mol 1-1 HCl. The estimated spectra compare favorably with previously published spectra of the complexes.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030303
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 147
    Electronic Resource
    Electronic Resource
    Classification: Oldtimers and newcomers (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 463-475 
    Details
    ISSN: 0886-9383
    Keywords: Classification ; Discriminant analysis ; Principal components ; Biased estimates ; Cross-validation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Classification and regression techniques are among the most used tools by chemometricians. With classification, the two classic methods are discriminant analysis and SIMCA. In this paper we discuss the connection between these two methods and introduce two new ones of the same family: DASCO (discriminant analysis with shrunken covariances) and RDA (regularized discriminant analysis). We demonstrate on both simulated and real data sets that their performance is superior to the old favorites. This is especially true in small-sample/high-dimension settings typical in chemistry.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030304
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 148
    Electronic Resource
    Electronic Resource
    Testing for redundancy in product quality control test criteria: An application to aviation turbine fuel (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 477-491 
    Details
    ISSN: 0886-9383
    Keywords: Principal components analysis ; Cross-validation ; Procrustes rotation ; Variable selection ; Quality control ; Aviation turbine fuel ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Given a set of test criteria that determine a quality specification, the question often arises whether any of the tests are redundant because of intercorrelations Simple selection of tests on the basis of partial correlations with the other tests is rejected on the basis that the random error in the data may be causing spurious correlations.One method is to use cross-validation to define the systematic principal components and examine the correlation structure in this reduced space. It is shown that the presence of principal components dominated by individual tests (‘variable specific’ PCs), which are indicated by cross-validation as being non-systematic, must be taken into account. Having defined the dimensionality, a variable reduction method based on Procrustes rotation selects subsets of tests that preserve the structure of the samples in multivariate space. This is an attractive proposition in the context of maintaining a quality control specification. It is also shown that the variable reduction technique can be used to aid the identification of the true dimensionality of the data space. This approach is applied to a number of routine tests carried out on aviation turbine fuel.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030305
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 149
    Electronic Resource
    Electronic Resource
    An improved algorithm for the generalized rank annihilation method (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 493-498 
    Details
    ISSN: 0886-9383
    Keywords: Rank annihilation ; Generalized rank annihilation method ; Generalized eigenproblem ; Calibration ; Spectral interferents ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An improved algorithm for the generalized rank annihilation method (GRAM) is presented. GRAM is a method for multicomponent calibration using two-dimensional instruments, such as GC-MS. In this paper an orthonormal base is first computed and used to project the calibration and unknown sample response matrices into a lower-dimensional subspace. The resulting generalized eigenproblem is then solved using the QZ algorithm. The result of these improvements is that GRAM is computationally more stable, particularly in the case where the calibration sample contains chemical constituents not present in the unknown sample and the unknown contains constituents not present in the calibration (the most general case).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030306
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 150
    Electronic Resource
    Electronic Resource
    PLS response surface optimization: The CARSO procedure (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 499-509 
    Details
    ISSN: 0886-9383
    Keywords: Optimization ; Response surface ; PLS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The paper presents a procedure to obtain response surfaces with non-designed data. The method is based on PLS modelling of the expanded X-matrix followed by transformation of the PLS loadings into polynomial coefficients and detection of the co-ordinates of the best response within the experimental domain. The results are presented both graphically and numerically. The procedure is validated on an optimization study of the yield of an organic reaction.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030307
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 151
    Electronic Resource
    Electronic Resource
    Expert system for the characterization of laboratory sample input signals: AUTOCORR (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 511-527 
    Details
    ISSN: 0886-9383
    Keywords: Expert system ; Time series analysis ; Autocorrelation ; Laboratory input signals ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An expert system is presented for automated time series analysis of laboratory sample input signals. The system, AUTOCORR, builds a model of the time series by identifying the processes that are present. These are an uncorrelated random process and, underlying this, possibly one or more of the following: a first-order autoregressive process, a trend and a periodic process. AUTOCORR has a knowledge base of 44 rules and 41 facts for this purpose. The employed shell, INFER, allows the use of algorithmic procedures. Elaborate tests with simulated signals show that AUTOCORR has a very low false positive score and is successful in describing time series for laboratory simulation models.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030308
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 152
    Electronic Resource
    Electronic Resource
    Calibration: Regression models for concentration problems (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 529-536 
    Details
    ISSN: 0886-9383
    Keywords: Calibration ; Inverse estimator ; Classical estimator ; Mean square error (MSE) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A brief review of the literature on point estimators in linear calibration problems is undertaken. Supportive evidence for the relative merits of the classical and inverse regression models, drawn in general from the classical inferential and Bayesian approaches, is considered and the criteria for comparison of the estimators are discussed with respect to their suitability for certain classes of problems. the performance of the estimators is assessed with respect to determining the current value of ‘x’, the percentage concentration of administered drug levels in blood in this example. No single ‘best’ method of estimation appears to hold for all values of the unknown concentration when performance is assessed by criteria based on the mean square error (MSE). However, the inverse estimator would appear to be superior to the classical for those values of unknown X close to x̄.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030309
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 153
    Electronic Resource
    Electronic Resource
    Display aspects in hierarchical clustering (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 537-540 
    Details
    ISSN: 0886-9383
    Keywords: Cluster analysis ; Display ; Interlaboratory test ; Ultrametrics ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ultrametric inter-object distances found by hierarchical clustering may be used to generate and appropriate constellation of points in a plane. A configuration of points which reproduce the ultrametric distances in a low-dimensional space as closely as possible can be found by Torgerson's method of multidimensional scaling. The resulting display supports the cognition of clusters very well, and for this purpose it seems to be superior to, for instance, the frequently applied principal components display. In certain situations dedrograms are expected to become simpler to interpret when such complementary ‘cluster display’ is also consulted. An example from analytical chemistry is presented.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030310
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 154
    Electronic Resource
    Electronic Resource
    QuickRes. Curve Resolution Software for Hewlett-Packard's HPLC ChemStation: Version 1.4, available from InfoMetrix Inc. 2200 Sixth Avenue, Suite 833, Seattle, Washington 98121, USA. Published by InfoMetrix, Inc., 1986, 1988. Price US $ 1500.00 (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 541-542 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030311
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 155
    Electronic Resource
    Electronic Resource
    TIMESLAB: A time series anlaysis laboratory, by H. Joseph Newton, Wadsworth and Brooks/Cole Advanced Books and Software, Pacific Grove, CA, U.S.A., 1988. ISBN 0-534-09198-9. Price: $49.95 (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 543-544 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030312
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 156
    Electronic Resource
    Electronic Resource
    Nonlinear regression analysis: Its applications, D. M. Bates and D. G. Watts, Wiley, New York, 1988. ISBN 0471-816434. Price: £34.50 (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 544-545 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030313
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 157
    Electronic Resource
    Electronic Resource
    Masthead (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030401
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 158
    Electronic Resource
    Electronic Resource
    Diary (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030402
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 159
    Electronic Resource
    Electronic Resource
    Distinguishing positional isomers of hexachlorinated biphenyls by ion-molecule reactions in a triple-quadrupole instrument (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 413-415 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ion-molecule reaction between six hexachlorobiphenyl positive molecular ions and ammonia in a triplequadrupole instrument to yield [M + NH3 - HCl]+. ions gives products whose abundances differ by at least an order of magnitude under uniform conditions. This reaction offers a way of distinguishing many isomers by a reaction that is different from the other demonstrated route, the loss of HCl from [M + O - Cl]- ions.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180609
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 160
    Electronic Resource
    Electronic Resource
    Factors affecting the fragmentation of peptides in fast atom bombardment mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 405-412 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Positive ion fast atom bombardment mass spectra of a series of biologically active peptides were obtained in order to ascertain conditions that contribute to an increase in fragment ion abundance of such peptides. The effect of derivatization, hydrophobic character and the presence of acid in the matrix on fragmentation of peptides were all investigated. It is shown that a substantial increase in fragment signal ion abundance is observed when mineral acid is present in the matrix, and is in accord with the gas-phase collision model proposed by Kebarle.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180608
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 161
    Electronic Resource
    Electronic Resource
    Quantitative analysis of platelet activating factor using fast atom bombardment/tandem mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 439-444 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A procedure is described for the quantitative determination of platelet activating factor (PAF) using stable isotope dilution and fast atom bombardment/tandem mass spectrometry. Low-energy collisional activation of the [M + H]+ ion of PAF yields a single daughter ion of m/z 184, characteristic of phosphocholine derivatives. For precise and accurate quantification the internal standard is (2H3)acetyl-hexadecyl PAF, which yields an analogous daughter ion of m/z 185. Quantitative analyses are based on limited mass-range parent ion scanning with transmission of daughters of m/z 184 and 185 during alternate scans; all scans are accumulated into a single data file to facilitate determination of the analyte/internal standard response ratio. Analysis of authentic hexadecyl PAF indicates a low-picogram detection limit. The method has been applied to the determination of PAF in preparations of human neutrophils stimulated by addition of a calcium ionophore. Concentrations of PAF of 7-17 ng/106 cells were observed, in keeping with earlier reports. The method has been validated by standard addition and dilution experiments. Comparison of data obtained by the new procedure and those obtained by a method involving gas chromatography/electron capture mass spectromery of dephosphorylated and derivatized PAF showed excellent agreement.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180613
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 162
    Electronic Resource
    Electronic Resource
    Announcement (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. i 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180702
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 163
    Electronic Resource
    Electronic Resource
    Analysis of chlorinated organic compounds in estuarine biota and sediments by chemical ionization tandem mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 464-470 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Complex sample matrices of estuarine biota tissue and bed sediment extracts were analyzed for selected chlorinated compounds. By using gas chromatography/positive chemical ionization/tandem mass spectrometry, the coeluting interferences present in gas chromatography/electron ionization mass spectrometry were eliminated in the biota tissue and bed sediment extracts. The selected chlorinated compounds included chlorobenzene; 1,2-, 1,3- and 1,4-dichlorobenzene; 1,2,3-, 1,2,4- and 1,3,5-trichlorobenzene; 1,2,3,4-, 1,2,3,5- and 1,2,4,5-tetrachlorobenzene; pentachlorobenzene; hexachlorobenzene; hexachloro-1,3-butadiene; octachlorostyrene; and octachloronaphthalene. Daughter ion spectra for these compounds are included. The detection limit for most of the compounds was 20 pg, and the instrument response was linear over five orders of magnitude, by using 13C-labelled hexachlorobenzene as the internal standard.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180704
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 164
    Electronic Resource
    Electronic Resource
    Stable isotope dilution analysis of n-hexanoylglycine, 3-phenylpropionylglycine and suberylglycine in human urine using chemical ionization gas chromatography/mass spectrometry selected ion monitoring (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 471-477 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We describe a gas chromatographic/mass spectrometric method for the accurate determination of n-hexanoylglycine, 3-phenylpropionylglycine and suberylglycine in urine for the diagnosis of hereditary medium-chain acyl-CoA dehydrogenase (MCAD) deficiency. These acylglycines had previously been detected in urine from patients with MCAD deficiency, but their diagnostic values were unknown because of a lack of appropriate analytical methods. n-Hexanoyl(1,2-13C)glycine, 3-phenylpropionyl(2-13C, 15N)glycine and suberyl(2-13C, 15N)glycine were synthesized and used as internal standards. Ammonia chemical ionization was utilized to generate intense [M + H]+ ions for selected-ion monitoring quantification. The whole procedure is fast and can be performed by a low-resolution gas chromatographic/mass spectrometric system, giving accurate results over a range of three orders of magnitude (0.0167-16.7 μg/ml). The results from the analyses of 54 urine samples from 21 MCAD-deficient patients and various control samples using this method established that n-hexanoyglycine and 3-phenylpropionylglycine were highly diagnostic for this disease, while suberylglycine was found less specific.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180705
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 165
    Electronic Resource
    Electronic Resource
    Physical properties of matrices used for fast atom bombardment (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 492-497 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Physical and chemical properties of common matrices are tabulated, with aims of facilitating rational matrix selection and providing input for fundamental studies of matrix-assisted ionization. The rationale for selecting tabulated properties is discussed.
    Additional Material: 10 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180708
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 166
    Electronic Resource
    Electronic Resource
    Deuterated Ritanserin analysis by gas chromatography/mass spectrometry: A sensitive technique to study human Ritanserin pharmacokinetics (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 498-502 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ritanserin, a new selective serotonin-S2 antagonist, was labelled in one 4-fluorophenyl moiety to obtain a (2H4)-labelled analogue having the following isotopic distribution: 2H0: 0.0%, 2H1: 0.1%, 2H2: 1.9%, 2H3: 5.8%, 2H4: 92.2%. (2H0/2H4) Ritanserin and the internal standard were isolated from the plasma by liquid/liquid extraction and analysed by selected-ion monitoring gas chromatography/mass spectrometry in the 70 eV electron impact mode. A detection limit of 0.1 ng ml-1 could be obtained for both (2H0) and (2H4)ritanserin. The precision (per cent coefficient of variation) and accuracy (per cent relative error) of the method were 4.1% and 4.1%, respectively. The method was used to determine the plasma levels of ritanserin and tetradeuterated ritanserin in three healthy male subjects receiving an equimolar mixture of 5:5 mg (2H0/2H4)ritanserin. The pharmacokinetics of both isotopomers proved to be identical, indicating the absence of an isotope effect, so that this technique might be very promising for use in bioequivalence studies.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180709
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 167
    Electronic Resource
    Electronic Resource
    Forthcoming events (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 511-511 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180712
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 168
    Electronic Resource
    Electronic Resource
    Masthead (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989) 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180801
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 169
    Electronic Resource
    Electronic Resource
    Analysis of 18O enrichment in biological fluids by continuous flow-isotope ratio mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 543-546 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A novel method is described for the analysis of 18O in urine by continuous flow-isotope ratio mass spectrometry (CF-IRMS), after sample equilibration with CO2. The method is shown to be fast, precise and accurate and therefore facilitates studies of total body water and water turnover in the clinical field. The method uses existing CF-IRMS instrumentation with minor hardware modification which does not compromise routine analysis of 13C and 15N. This method emphasizes the versatility of CF-IRMS and thus its economy for the biomedical research group using stable isotope tracers.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180805
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 170
    Electronic Resource
    Electronic Resource
    Differentiation of isomeric 2′-, 3′- and 5′-deoxynucleosides by electron ionization and chemical ionization-linked scanning mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 533-542 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A comparative mass spectral examination of the trimethylsilyl (TMS) derivatives of 2′-, 3′- and 5′-deoxyadenosine, 2′-, 3′- and 5′-deoxyguanosine, 2′-, 3′- and 5′-deoxyxanothosine and 2′- and 5′-deoxy-2-fluoroadenosine is presented. A general compilation of the major fragment ions found in the low-resolution electron ionization (EI) spectra of the eleven deoxynucleosides is given. Chemical ionization (CI)-collisional activation (CA) daughter ion spectra are reported using the deoxyadenosines as model compounds. Ion structures and fragmentation pathways are proposed for those ions characteristic of each of the isomers. Significant differences in fragmentation exist between the isomeric 2′-, 3′- and 5′-purine deoxynucleosides. The formation and structures of ten ions important in this differentiation are discussed. The CI-CA linked scan spectra provide complementary structural information relative to the EI mass spectra.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180804
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 171
    Electronic Resource
    Electronic Resource
    The antibiotic complex of retamycins: A fast atom bombardment mass spectrometric study (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 553-557 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Fast atom bombardment (FAB) mass spectrometry is, for the first time, successfully applied to the underivatized anthracycline antibiotics retamycins E1 and E2, using bis-(2-hydroxyethyl)sulphide as the matrix compound. The spectra are characterized by abundant protonated molecular ions and also by a number of sequence ions, which can be easily rationalized in terms of the carbohydrate sequence in the molecules. The relative abundance of these ions seems to depend on the functionalities close to the glycosidic oxygen, and also on their stereochemical relationship. Structural results are also confirmed by the analysis of the FAB mass spectra of the acetyl derivatives.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180807
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 172
    Electronic Resource
    Electronic Resource
    Structural analysis of protein variants by mass spectrometry: Characterization of haemoglobin providence using a grand-scale mass spectrometer (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 563-565 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A grand-scale mass spectrometer with high mass resolution and high transmission was employed for the analysis of haemoglobin variant. Two variants were isolated from a haemolysate by chromatography. Secondary ion mass spectrometry of complex peptide mixtures derived from these variants precisely determined the molecular weight of abnormal peptides. The molecular weight, 2857.4 and 2858.4, indicated the amino acid substitutions of asparagine and aspartic acid, respectively, for lysine at position 82 of β globin chain. The mutations had been reported in haemoglobin Providence.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180809
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 173
    Electronic Resource
    Electronic Resource
    Mass spectral behaviour of some semisynthetic derivatives of vinblastine-type alkaloids (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 576-580 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mass spectral fragmentation of the biomedically important vinblastine (1a) and its eight semisynthetic derivatives obtained by selective oxidation have been studied using in-beam electron impact ionization, low and high resolution, as well as linked scanning techniques. The mass spectra were obtained without any thermal decomposition and exhibited abundant molecular ions and several fragment ions of structural importance. It was found that decomposition of these indole-indoline dimers having a velbanamine, or a ψ-aspidosperma, or a ψ-eburnane type indole moiety connected with the aspidosperma skeleton of vindoline (sets 1-3, respectively) led to several fragments of common types due mainly to the presence of the vindoline skeleton. However, sets 1-3 possessing various indole parts give rise to significant and characteristic fragments of these subunits, too. Varying the N(1) substituent of the vindoline part (CH3 → H → CHO), a strong influence was observed in the relative importance of the main reaction routes. It can be rationalized in terms of the effect of substituent on the localization of the positive charge.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180812
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 174
    Electronic Resource
    Electronic Resource
    Qualitative and quantitative determination of Prevan® in cosmetic emulsions by direct analysis via fast atom bombardment/collisional spectroscopy (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 855-859 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The qualitative and quantitative determination of the Na salt of dehydroacetic acid, Prevan®, a widely employed antimould agent in cosmetic emulsions, has been obtained by the direct analysis of the emulsion itself by fast atom bombardment and collisional spectroscopy.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200181003
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 175
    Electronic Resource
    Electronic Resource
    Fast atom bombardment mass spectrometry and selective acid hydrolysis for the analysis of partially modified retro-inverso peptide analogues (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 867-871 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Fast atom bombardment (FAB) mass spectrometry has been successfully applied to the analysis of partially modified retro-inverso peptide isomers. The spectra are characterized by abundant protonated molecular ions and also by sequence ions due to fragmentation of the inverted bonds. Unambiguous information, as to the nature and the position in the backbone of the amino acids involved in the partial modification of the structure, are given by using a combination of FAB mass spectrometry and partial, selective acid hydrolysis, without separation of the resulting peptide mixtures.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200181005
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 176
    Electronic Resource
    Electronic Resource
    Announcement (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. i 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180402
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 177
    Electronic Resource
    Electronic Resource
    Fast atom bombardment mass spectrometry of some aminoglucoses and glucosamine phosphates and sulphates (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 241-246 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Fast atom bombardment mass spectrometry in combination with collisional activation has been used to investigate a number os amino- and phosphate-substituted glucoses and of phosphate- and sulphate-substituted glucosamines. The collisional activation spectra of the [M - H]- ions readily reveal the presence of sulphate or phosphate substituents, whereas specific fragmentation reactions can be used to distinguish among the various positional isomers. The fragmentation of the pseudomolecular cations depends on the number of Na atoms incorporated. By selecting the appropriate pseudomolecular ion it is possible to get information on the nature and/or position of the substituents.
    Additional Material: 8 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180406
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 178
    Electronic Resource
    Electronic Resource
    Capillary zone electrophoresis/tandem mass spectrometry for the determination of sulfonated azo dyes (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 253-257 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Full-scan capillary zone electrophoresis/mass spectrometry and capillary zone electrophoresis/tandem mass spectrometry (CZE/MS/MS) are demonstrated for the determination of monosulfonated and polysulfonated azo dyes at the low picomole levels. Under selected ion monitoring conditions femtomole levels of the dyes are detectable. Ion evaporation via the ion spray liquid chromatography/mass spectrometry interface is a mild form of ionization exhibiting only deprotonated singly charged or poly-deprotonated multiply charged negative molecular ions for sulfonated azo dyes. CZE/MS/MS daughter ion scanning after collision-induced dissociation of the molecular species for all sulfonated azo dyes contained the sulfonate ion (m/z 80). The presence of three sulfonated azo dyes in a wastewater extract was confirmed by parent ion scanning for the sulfonate daughter ion (m/z 80).
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180408
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 179
    Electronic Resource
    Electronic Resource
    Analysis of platelet activating factor in human saliva by gas chromatography/mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 258-264 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Platelet activating factor (PAF) bioactivity has been demonstrated in saliva from normal volunteers. We sought structural confirmation and evidence of heterogeneity in the 1-O-alkyl chain of the acetyl glyceryl ether phosphoryl choline (AGEPC) extracted from saliva by employing stable isotope dilution techniques in conjunction with gas chromatography/mass spectrometry. The method described involves removal of the polar phosphocholine moiety, accounts for acetyl group migration, and allows for acylation of the resultant free hydroxyl with pentafluorobenzoyl chloride. Thin-layer chromatography (TLC) purification is undertaken after phospholipase C cleavage and again after pentafluorobenzoyl chloride derivatization. The majority of the ion current is represented in the molecular anion, allowing measurement of 50 pg in biological fluid with a signal-to-noise ratio of ≥9. In one subject with markedly increased salivary PAF levels, we found evidence for molecular heterogeneity of AGEPC with production of not only C16:0 but also C18:0 and C18:1 in the alkyl chain. This technique, by using TLC in lieu of high-performance liquid chromatography, avoids potentially confounding trace contamination effects, produces spectra with few interfering signals and increases sample throughput.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180409
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 180
    Electronic Resource
    Electronic Resource
    Masthead (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989) 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180501
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 181
    Electronic Resource
    Electronic Resource
    Mass spectral investigations on trichothecene mycotoxins. VIII - thermospray ionization and collisionally activated dissociation of macrocyclic trichothecenes (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 287-300 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several structurally similar, biologically active macrocyclic trichothecenes were ionized under thermospray conditions followed by collisionally activated dissociation of the ammonium adducts. Most of the observed daughter ions were formed by bond cleavage at the exocyclic ester bridges. Compounds with similar ester bridges formed several common daughter ions and underwent similar neutral losses. Fragmentation pathways proposed for the dissociation of the adducts were confirmed from the corresponding neutral loss spectra. Simple experiments designed for the sequential monitoring of the characteristic daughter ions were used for the rapid, direct and accurate analysis of macrocyclic trichothecenes in real samples. The primary drawback of the method is its inability to distinguish between isomers.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180503
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 182
    Electronic Resource
    Electronic Resource
    The identification of a dihydrodiol metabolite of propranolol excreted in horse urine (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 1030-1033 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200181113
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 183
    Electronic Resource
    Electronic Resource
    Routine gas chromatographic/mass spectrometric analysis of fatty acid methyl esters using the ion trap detector (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 1016-1022 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: About 60 long-chain fatty acids occur naturally in lipids of biological tissues and fluids, oils, fats and waxes. The ion trap detector (ITD) offers a convenient but powerful means for the routine analysis by gas chromatography/mass spectrometry of such fatty acids as their methyl esters (FAMES). Enhanced [M + 1]+ ions may be formed at higher sample levels of 50 ng or more. However, spectra still retain a predominantly electron impact (EI) character. Using the classical mass spectral performance test compound methyl stearate as an example, good library comparisons were obtained for spectra run over a dynamic range of 2 pg to 225 ng, when a mid-range ITD spectrum run on 7.5 ng was used as a reference. Almost equally good spectral comparisons were found with literature reference spectra run on both quadrupole and sector conventional mass spectrometers. Using human plasma phospholipid FAMES as an example, along with an ITD-generated EI spectral library of FAMES standards, it was seen that for most of the components present the mass spectral library comparison was good enough to permit identification based on mass spectrometry alone. For all components, a combination of gas chromatographic retention index and mass spectral information permitted an unequivocal identification.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200181111
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 184
    Electronic Resource
    Electronic Resource
    Positional isotopic analysis of 13C-labelled glucose by mass spectrometry: Applications to the study of gluconeogenesis in liver cells (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 1010-1015 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The aim of the present investigation was to ascertain whether mass spectrometric analysis of glucose allows determination in small samples (0.01 nmol) of the sites and the extent of labelling of glucose produced by isolated liver cells from various gluconeogenic labelled precursors. The electron impact spectrum of the methyloxime pentatrimethylsilyl derivative of natural glucose affords fragment ions retaining specific carbon atoms, i.e. 1-2 (m/z 160), 1-2-3 (m/z 262), 3-4-5-6 (m/z 319), 4-5-6 (m/z 217), 5-6 (m/z 205), 6 (m/z 103). The mass fragmentography analysis of the same derivative of commercially available labelled glucose molecules (1-13C, 6-13C, 2-2H, 3-2H, 6,6-2H2) permitted evaluation of the degree of specificity of these fragment ions, and development of a calculation method for isotope incorporation. Using this methodology we found that incubation of hepatocytes with (2-13C)glycerol, (1,3-13C)glycerol or NaH13CO3 plus pyruvate or lactate produced (2,5-13C)glucose, (1,3,4,6-13C) glucose or (3,4-13C)glucose, respectively. The extent of labelling was measurable on individual carbon of the glucose molecule except for carbon 1. The lowest enrichment detectable on carbon 1-3 or 3 was found to be 0.5%. In conclusion, gas chromatography mass spectrometry is a reliable method for positional isotopic anlysis of 13C-labelled glucose, and appears useful in the study of the gluconeogenic pathway.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200181110
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 185
    Electronic Resource
    Electronic Resource
    Masthead (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989) 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180701
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 186
    Electronic Resource
    Electronic Resource
    Analysis of glycolipids by fast atom bombardment mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 1046-1050 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The positive and negative ion fast atom bombardment (FAB) mass spectra of four glycolipids obtained from microbial cultures are reported. The spectra of the glycolipids in the positive ion mode are characterized by abundant [M + Na]+, [M + Na + matrix]+ and [M + 2Na - H]+ species. In negative FAB conditions the molecules yield [M - H]-. Our understanding of the FAB behaviour of glycolipids in both positive and negative modes has been considerably aided in the structure elucidation, without any derivatization or degradation reaction of the compounds studied. The technique allows unambiguous molecular weight determination of low-microgram amounts of these glycolipids purified from biological sources and provides useful fragmentation information.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200181203
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 187
    Electronic Resource
    Electronic Resource
    Identification of mustard related compounds in aqueous samples by gas chromatography/mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 484-491 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Capillary column gas chromatography/mass spectrometry, under electron impact and chemical ionization conditions, was used for the detection and identification of mustard and other sulfur vesicant-related decomposition products in a number of aqueous sample extracts. Interpretation of the mass spectral, infrared, chromatographic and trimethylsilyl derivatization data acquired during this study enabled the identification of nineteen sulfur vesicant-related hydrolysis products. Many of the compounds characterized during these analyses, including a number of ether/thioether macrocycles and vinyl alcohols, have either not been previously reported or have not been previously associated with the decomposition of munitions-grade mustard.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180707
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 188
    Electronic Resource
    Electronic Resource
    Collisional activation mass spectrometry of doubly charged ions from hexachlorobiphenyl isomers (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 507-509 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180711
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 189
    Electronic Resource
    Electronic Resource
    Facile connection of aluminium clad capillary GC columns to a magnetic sector mass spectrometer (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 503-506 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180710
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 190
    Electronic Resource
    Electronic Resource
    Guest editorial (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. ii 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180802
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 191
    Electronic Resource
    Electronic Resource
    Time-of-flight mass spectrometry: An increasing role in the life sciencesPlenary Lecture presented at the Seventh International Symposium on Mass Spectrometry in the Life Sciences. (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 513-532 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Although available commercially since the mid-1950s, there has been a renewed and increasing interest in time-of-flight mass spectrometers during the last decade or more. Improvements have been made in mass resolution; and high-speed data acquisition systems have been developed which enable the recording of all ions in each time-of-flight cycle. Most importantly, these instruments have been coupled with several new ionization techniques, which are capable of desorbing the relatively large and intractable biopolymers whose structures are of interest to molecular biologists, biochemists and biophysicists. Primarily these are techniques which employ pulsed lasers, fission fragments and pulsed ion beams, for which a ‘non-scanning’ and/or high-transmission analyzer provides considerable analytical advantage. In this report we review some basic principles of the time-of-flight mass analyzer, highlighting efforts to improve dynamic focusing for instruments forming ions in the gas phase and static focusing for desorption instruments, and the progression from time-slice to time-array detection. We also review some of the accomplishments of instruments employing the time-of-flight analyzer, including: molecular weight determinations for peptides and small proteins; the analysis of tryptic digests, crude extracts and whole cells; the structural analysis of glycolipids, phospholipids and lipopolysaccharides; and the determination of covalent and metal-linked peptide dimers. We conclude with some recent developments in combining the time-of-flight analyzer with liquid chromatography using the continuous flow probe technique.
    Additional Material: 29 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180803
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 192
    Electronic Resource
    Electronic Resource
    Plasma desorption mass spectrometric study of UV-induced lesions within DNA model compoundsThis is paper VI of a series ‘Plasma Desorption Mass Spectrometry of Oligonucleotides’. Paper V corresponds to Ref. 8. (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 547-552 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Positive and negative plasma desorption (PD) mass spectra of the di-deoxyribonucleoside monophosphate d(TpT) and of its biologically relevant ultraviolet-induced intramolecular photodimers are examined and discussed. The photodimers which were analysed by PD mass spectrometry include the cis-syn and trans-syn cyclobutyl isomers d(T[p]T), the pyrimidine-pyrimidone photoadduct (6-4)d(TpT) and its Dewar valence isomer. Molecular ions, quasi-molecular ions and several fragment ions are observed in all cases. It is shown that, despite the absence of mass differences between these dinucleoside monophosphates, the fragmentation pattern differs significantly between the two main classes: cyclobutane dimers and (6-4) adducts. PD mass spectrometry can therefore be envisaged for characterizing their formation within short DNA fragments.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180806
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 193
    Electronic Resource
    Electronic Resource
    Characterization of acylcarnitines as their isobutyl ester derivatives using fast atom bombardment mass spectrometry and constant neutral loss scan (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 668-672 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple method is described for the characterization of acylcarnitines by fast atom bombardment mass spectrometry in combination with constant neutral loss (CNL) scan. Acylcarnitines in urine are extracted using cation-exchange chromatography and derivatized to their isobutyl esters. The fragmentation patterns of these compounds are studied by various linked-scan methods including B/E, B2/E and B/E√(1 - E) scans. Acylcarnitine isobutyl esters are found to lose two specific neutral fragments simultaneously so that a CNL scan of the combined mass produces a much enhanced spectrum without most of the background peaks. An example is given in which the CNL scan is used to diagnose a patient with medium-chain acyl CoA dehydrogenase deficiency. The use of linked-scan techniques to monitor a specific metastable ion transition can be exploited for characterizing structurally related compounds and therefore the technique reported in this paper may have much wider applications to mixture analysis.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180906
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 194
    Electronic Resource
    Electronic Resource
    Solvent-sample interactions in thermospray mass spectrometry of antineoplastic nitrogen mustards (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 219-223 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Conditions are reported for the optimization of thermospray mass spectrometric analysis of antineoplastic nitrogen mustard alkylating agents. In aqueous ammonium acetate mobile phase, multiple sequential solvolytic reactions occur with these highly labile compounds, and protonated molecular ions of the reaction products are observed. However, when high proportions of acetonitrile or other organic modifier are added to the mobile phase, solvolytic reactions are much reduced and abundant protonated molecular ions are detected. One exception to these observations is phosphoramide mustard, which solvolyses under all conditions attempted. A lower limit for detection of melphalan using direct injection and summing the ion current between m/z 120 and 870 is about 150 ng. Successful thermospray liquid chromatographyl/mass spectrometry of these compounds should be possible using high percentages of methanol in the mobile phase or increasing the organic contant by post-column solvent modification.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180403
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 195
    Electronic Resource
    Electronic Resource
    The determination of sulfonated azo dyes in municipal wastewater by ion spray liquid chromatography tandem mass spectrometry (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 233-240 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A liquid-solid extraction method suitable for rapid screening of sulfonated azo dyes in municipal wastewater has been developed. The dyes (Color Index Acid Yellow 23, Red 14 and Yellow 49) were separated on a short, reversedphase liquid chromatographic column with a water-methanol gradient containing 2 mM sulfuric acid. The column effluent was directed via a split-valve to an ion spray liquid chromatography/mass spectrometry (LC/MS) interface to an atmospheric pressure ionization mass spectrometer. The ion spray LC/MS system produced abundant [M - Na]- and [M - 2Na]2- ions according to the number of sulfonic acid substituents. Collision-induced dissociation of the parent ions for the dyes studied gave the SO3-. fragment common to sulfonated compounds plus additional daughter ion fragments characteristic of each dye. The dyes were quantified by monitoring from four to six different daughter ions of each dye. The relative abundances and the sum of the daughter ion current counts were used for confirmation and quantification with external standards. Recoveries of the dyes were in the range of 70-122%, and the relative standard deviation of replicate determinations was 5.4-12%. The method detection limit was three times higher for Acid Yellow 23 compared with the other two dyes, which could be detected down to 50 ppb in municipal wastewater.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180405
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 196
    Electronic Resource
    Electronic Resource
    Forthcoming events (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 279-279 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180411
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 197
    Electronic Resource
    Electronic Resource
    Identification of in vitro metabolites of 3-ethyl-2,6-dimethyl-4H-pyrido(1,2a)pyrimidin-4-one (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 308-313 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: (2-14C)3-Ethyl-2,6-dimethyl-4H-pyrido(1,2a)pyrimidin-4-one is metabolized in vitro by liver microsomes to at least 12 metabolites. The metabolites were isolated and purified by thin-layer chromatography and high-performance liquid chromatography and identified by mass spectrometry and nuclear magnetic resonance spectrosopy. The mostly mono- and dihydroxylated isomers were distinguished on the bases of their electron ionization mass spectra and the metastable daughter ion spectra of selected ions.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180505
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 198
    Electronic Resource
    Electronic Resource
    Characterization of epoxides of polyunsaturated fatty acids by mass spectrometry via 3-pyridinylmethyl esters (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 328-336 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The isomeric epoxides of linoleic, arachidonic and docosahexaenoic acids were prepared by reaction with m-chloroperoxybenzoic acid and, after separation by normal-phase high-performance liquid chromatography, were esterified with 3-pyridylcarbinol via the unstable imidazolide generated by the reaction with 1,1′-carbonyldiimidazole. The electron impact mass spectra of these derivatives showed a molecular ion and a sequence of peaks with two characteristic abundant ions that resulted from formal cleavage of the carbon-carbon bonds at the oxirane ring. Both these ions retained the ester group. This fragmentation pattern allowed the unequivocal identification of the separate epoxide isomers.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180508
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 199
    Electronic Resource
    Electronic Resource
    Thermospray mass spectroscopy/high performance liquid chromatographic identification of the metabolites formed from arteether using a rat liver microsome preparation (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 337-351 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Thermospray LC/MS methods with internal standardization were developed for the quantification of the antimalarial arteether and six of its metabolites at the 1-10 μg/ml level in liver microsome preparations without the use of solvent extraction. The thermospray mass spectra of arteether and most of its metabolites exhibited strong [M + NH4]+ and [M - OR]+ peaks arising from the molecular ion adduct and the loss of the alkoxy or hydroxy group of the side chain. In addition to the six metabolites for which authentic reference standards were available, three additional metabolites were detected. The major metabolites of arteether were found to be dihydroartemisinin, deoxydihydroartemisinin, 3-hydroxydeoxydihydroartemisinin, two isomers of hydroxyarteether, and 3-hydroxydeoxyarteether. Deoxyartheether was not found at significant concentrations in the microsome preparation.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180509
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 200
    Electronic Resource
    Electronic Resource
    Desorption chemical lonization mass spectrometry of cosmomycins A, B, C, D and ditrisarubicin B (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 352-354 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180510
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...