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  • Analytical Chemistry and Spectroscopy  (2,293)
  • 2015-2019
  • 1990-1994  (1,444)
  • 1980-1984  (849)
  • 1940-1944
  • 1925-1929
  • 1991  (1,444)
  • 1980  (849)
Collection
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  • 2015-2019
  • 1990-1994  (1,444)
  • 1980-1984  (849)
  • 1940-1944
  • 1925-1929
Year
  • 1
    Electronic Resource
    Electronic Resource
    Factor analysis in chemistry, (2nd edition), E. R. Malinowski, Wiley-Interscience, 1991. ISBN 0-471-53009-3. Price £43.70 (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 545-545 
    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.1180050607
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  • 2
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    Diagnostika Sostava Materialov Rentgenodifrakcionnimi I Spektralnymi Metodami (Identification of materials by X-ray diffraction and spectroscopical Techniques) (in Russian), M. S. Nakhmanson and V. G. Feklitschev, Mashinostroenie, Leningrad, 1990. 357 pages. ISBN 5-217-00915-2, Rubl 5.40 (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 546-547 
    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.1180050608
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  • 3
    Electronic Resource
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    Recent developments in multivariate calibrationInvited Paper. (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 129-145 
    Details
    ISSN: 0886-9383
    Keywords: Multivariate calibration ; Biased regression ; Partial least squares (PLS) ; Principal component regression (PCR) ; Model validation ; Non-linear calibration ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: With the goal of understanding global chemical processes, environmental chemists have some of the most complex sample analysis problems. Multivariate calibration is a tool that can be applied successfully in many situations where traditional univariate analyses cannot. The purpose of this paper is to review multivariate calibration, with an emphasis being placed on the developments in recent years. The inverse and classical models are discussed briefly, with the main emphasis on the biased calibration methods. Principal component regression (PCR) and partial least squares (PLS) are discussed, along with methods for quantitative and qualitative validation of the calibration models. Non-linear PCR, non-linear PLS and locally weighted regression are presented as calibration methods for non-linear data. Finally, calibration techniques using a matrix of data per sample (second-order calibration) are discussed briefly.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180050303
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  • 4
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    Real-time filtering of data from mobile, passive remote infrared sensors with principal component models of backgroundInvited Paper. (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 147-161 
    Details
    ISSN: 0886-9383
    Keywords: Digital filtering ; Real-time analysis ; Kalman filtering ; Infrared spectroscopy ; Principal components regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Real-time monitoring of pollutant levels from a mobile measuring platform requires fast, flexible data analysis methods. This paper reports a method for rapid analysis of passive remotely sensed infrared data with the aid of a Kalman filter. The background spectra produced by emission from the atmosphere are modelled at the start of the data collection sequence with a simple principal components model obtained by eigenanalysis of the initial ‘blank’ data taken with the spectrometer. The species of interest are included in the state space model by a separate measurement of their infrared spectra. It is demonstrated that for best filter performance in detecting the simulated pollutant species SF6 in the atmosphere, a filter model with two principal components describing the emission background works best. The filter ‘maps’ of SF6 closely follow the integrated spectral intensities measured after removal of suitable backgrounds.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050304
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  • 5
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    Examining large databases: A chemometric approach using principal component analysisInvited Paper. (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 163-179 
    Details
    ISSN: 0886-9383
    Keywords: Principal component analysis ; Factor analysis ; Chemometrics ; Exploratory data analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Principal component analysis is used to examine large multivariate databases. The graphical approach to exploratory data analysis is described and illustrated with a single example of chemical composition data obtained on environmental dust particles. While the graphical approach to exploratory data analysis has certain advantages over the numerical procedures, the empirical approach described here should be viewed as complementary to the more robust treatments that statistical methodologies afford.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050305
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  • 6
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    Box-Cox transformations in the analysis of compositional data (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 227-239 
    Details
    ISSN: 0886-9383
    Keywords: Unit-sum constraint ; Mixing proportions ; Ratio data ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The statistical analysis of compositional data is of fundamental importance to practitioners in general and to chemists in particular. The existing methodology is principally due to Aitchison, who effectively uses two transformations, a ratio followed by the logarithmic, to create a useful, coherent theory that in principle allows the plethora of normal-based multivariate techniques to be used on the transformed data. This paper suggests that the well-known class of Box-Cox transformations can be employed in place of the logarithmic to significantly improve the existing methodology. This is supported in part by showing that one of the most basic problems that Aitchison managed to overcome, namely the specification of an interpretable covariance structure for compositional data, can be resolved, or nearly resolved, once the ratio transformation has been applied. Hence the resolution is not directly dependent on the logarithmic transformation. It is then verified that access to the general Box-Cox family will allow a more accurate use of the normal-based multivariate techniques, simply because better fits to normality can be achieved. Finally, maximum likelihood estimation and some associated asymptotics are employed to construct confidence intervals for ratios of the true, unknown compositional constituents. Heretofore this had not been done even in the context of the logarithmic transformation. Applications to real data are presented.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050310
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  • 7
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    Finding causes of outliers in multivariate environmental data (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 241-248 
    Details
    ISSN: 0886-9383
    Keywords: Multivariate kurtosis ; Generalized distance ; Multivariate outliers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Multivariate outliers in environmental data sets are often caused by atypical measurement error in a single variable. From a quality assurance perspective it is important to identify these variables efficiently so that corrective actions may be performed. We demonstrate a procedure for using two multivariate tests to identify which variable ‘caused’ each outlier. The procedure is tested with simulated data sets have have the same correlation structure as selected water chemistry variables from a survey of lakes in the Western United States. The success rates are evaluated for three of the variables for sample sizes of 50 and 100, significance levels of 0.01 and 0.05 and various amounts of mean shift. The procedure works best for highly correlated variables.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050311
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  • 8
    Electronic Resource
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    A statistical procedure to evaluate clean-up standards (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 249-261 
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    ISSN: 0886-9383
    Keywords: Asymptotic power ; Clean-up standard ; Gamma distribution ; Likelihood ratio test ; Uniformly most powerful unbiased test ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The object of this paper is to develop a suitable statistical procedure to evaluate clean-up standards at hazardous waste sites. Under the assumptions that contaminant masses at a site follow a gamma distribution and that the data from the pre-remediation baseline sample as well as from the interim or final sample taken after a certain period of operation are both distributed as gamma with the same shape parameter but different scale parameters, we derive a uniformly most powerful unbiased test of the hypothesis that a specified percentage of contaminant mass has been reduced. A large-sample approximation of the exact test procedure and a comparison with the likelihood ratio test are provided.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180050312
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  • 9
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    The quality of mean and variance estimates for normal and lognormal data when the underlying distribution is misspecified (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 263-271 
    Details
    ISSN: 0886-9383
    Keywords: Mean ; Variance ; Lognormal ; Optimal estimators ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Theoretical and simulation results are employed to evaluate mean and variance estimates for normal data when a lognormal distribution is assumed and for lognormal data when a normal distribution is assumed. Misspecifying the distribution leads to the use of suboptimal estimation methods. However, the results show that the suboptimal methods still produce estimators of good quality (low bias and variance) relative to the minimum variance unbiased estimators for each distribution, at least when practical efficiency is considered.
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/cem.1180050313
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  • 10
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    Correspondence analysis used in the evaluation of lakewater chemistry in the Adirondacks (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 273-290 
    Details
    ISSN: 0886-9383
    Keywords: Correspondence analysis ; Eastern Lake Survey - Phase I data ; Acidic deposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Correspondence analysis (CA) was applied to lakewater data in order to study the effects of acidic deposition on the geochemical composition of lakes in the Adirondacks. The lake chemistry data analyzed were taken from the Eastern Lake Survey - Phase I (ELS-I) conducted by the U.S. Environmental Protection Agency. CA was used to identify ‘outlying’ lake samples as well as ‘superflous’ and ‘unresolved’ analytes. Correlational relationship among analytes were also examined.
    Additional Material: 10 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050314
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  • 11
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    Estimation of errors in absorbance ratio measurements (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 291-298 
    Details
    ISSN: 0886-9383
    Keywords: Absorbance ratio ; Statistical confidence ; Quality control ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ratio measurements are commonly used to address a variety of analytical problems in environmental, forensic and pharmaceutical laboratories. In absorbance ratioing techniques, analytical chemists rely on the spectral features of the analyte(s) of interest. The absorbances at two wavelengths are monitored and the ratio of these two absorbances is computed. This ratio is then used to confirm the identity of the analyte(s) of interest, the purity of a product of the overlap of chromatographic peaks. These decisions often have far-reaching consequences (e.g. the identification of the source, biogenic or petrogenic, of hydrocarbons in biological tissues or water). Given the cost and the liabilities associated with such decisions, it is unfortunate that these ratios are seldom reported with any statistical confidence. The purpose of this study is to delineate the parameters that affect absorbance ratio measurements. The models that can be used to estimate the statistical confidence in these measurements are derived and evaluated experimentally. The results show that these models can estimate the relative standard deviations in absorbance ratios accurately. They can also estimate the effect of signal-to-noise ratio and the choice of wavelengths on the precision of absorbance ratios.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050315
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  • 12
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    Likelihood techniques for interlaboratory calibration in the national stream survey (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 299-308 
    Details
    ISSN: 0886-9383
    Keywords: Errors in variables ; Orthogonal regression ; Latent variables ; Acid rain ; Acidic deposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Techniques for testing for and estimating relative bias between two laboratories are developed and applied to a survey of the chemistry of streams in the United States. The design of the quality assurance program allows estimation of linear corrections for bias as well as testing of the hypothesis of linearity. Designs of this type are useful, but improvements are suggested.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050316
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  • 13
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    On confidence intervals for the product of three means of three normally distributed populations (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 309-319 
    Details
    ISSN: 0886-9383
    Keywords: Confidence intervals ; Products of normal random variables ; Risk/exposure modeling ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In many environmental applications, such as exposure assessment and risk modelling, the desired estimate is a random variable computed as the product of three independently distributed random variables. These variables may not necessarily have the same mean and variance. The method for finding the 100(1 - α)% confidence interval for the mean of the product random variable has been proposed by some practitioners as the product of the 100(1 - α)% confidence interval of the three means. In this paper we show that the distribution of the product of three independent normal variables is not normal. We find the mean and variance of the product distribution. Further, we show that although the mean of the product is equal to the product of the means, the product of the three confidence intervals is not a good approximation of the confidence intervals for the mean of the product variable. The confidence interval of the mean of the product variable may be estimated by computer simulation. An algorithm for estimating the confidence interval for the mean of the product random variable is given. The program implementing this algorithm is given as an appendix.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180050317
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  • 14
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    Comparison of two screening methods for the detection of volatile organic compounds in ground water (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 321-331 
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    ISSN: 0886-9383
    Keywords: Screening ; Ground-water quality ; Monitoring ; Volatile organic compounds (VOCs) ; Optimization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown that the presence of 31-35 commonly measured volatile organic compounds (VOCs) in ground water can be detected with small error rates by using screening methods which analyze for a subset of such VOCs. A study of selected data sets indicates that analytical determinations of only from two to eight VOCs will suffice to detect 95% of all VOC hits. It is also shown that a serially optimal algorithm for selecting the VOCs for screening is very nearly as accurate as a globally optimal algorithm and much easier to implement. These conclusions are supported by empirical evidence from two drinking-water data sets and one hazardous waste site data set. Additional research areas are also outlined.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050318
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  • 15
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    Masthead (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
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    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.1180050401
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  • 16
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    Diary (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
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    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.1180050402
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  • 17
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    A bootstrap resampling scheme for using the canonical correlation technique in rank estimation (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 333-343 
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    ISSN: 0886-9383
    Keywords: Rank estimation ; Bootstrap resampling ; Canonical correlation ; Excitation-emission matrix ; Singular value decomposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Rank estimation by canonical correlation analysis in multivariate statistics has been proposed as an alternative approach for estimating the number of components in a multicomponent mixture. A methodological turning point of this new approach is that it focuses on the difference in structure rather than in magnitude in characterizing the difference between the signal and the noise. This structural difference is quantified through the analysis of canonical correlation, which is a well-established data reduction technique in multivariate statistics. Unfortunately, there is a price to be paid for having this structural difference: at least two replicate data matrices are needed to carry out the analysis.In this paper we continue to explore the potential and to extend the scope of the canonical correlation technique. In particular, we propose a bootstrap resampling method which makes it possible to perform the canonical correlation analysis on a single data matrix. Since a robust estimator is introduced to make inference about the rank, the procedure may be applied to a wide range of data without any restriction on the noise distribution. Results from real as well as simulated mixture samples indicate that when used in conjunction with this resampling method, canonical correlation analysis of a single data matrix is equally efficient as of replicate data matrices.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050403
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  • 18
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    Three-way methods for the calibration of chromatographic systems: Comparing PARAFAC and three-way PLS (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 345-360 
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    ISSN: 0886-9383
    Keywords: Three-way PCA ; Three-way PLS ; PARAFAC ; Trilinear ; Unfolding ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: For the calibration of chromatographic systems, different methods can be used. One class of methods utilizes three-way approaches. The calibration problem is stated in such a way that the decomposition of a three-way array can serve for the prediction of retention on new stationary phases.Two three-way approaches are presented: the Unfold-PCA and PARAFAC models. The theory of both methods is presented and the differences are highlighted, the main difference being that PARAFAC is a trilinear decomposition whereas Unfold-PCA is not. Both three-way methods are evaluated on a small data set consisting of retention measurements of eight solutes at six mobile phase compositions on six stationary phases. The differences in performance of the two models are minor.For calibration purposes, two variants of the methods are discussed: three-way PLS and an extension of PARAFAC. Again the theory and differences between the two methods are explained. The predictive performance of the two methods is compared using the same data set as earlier. The differences in predictive performance, however, are minor. Both methods are capable of predicting 98% of the variation in the test sets. Yet, there are other considerations when comparing methods than predictive performance, e.g. the quality of the predictions.
    Additional Material: 12 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050404
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  • 19
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    Estimation in compositional data analysis (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 361-374 
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    ISSN: 0886-9383
    Keywords: Closure ; Normalization ; Multivariate trimming ; Minimum distance ; Bootstrap ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Compositional data arise naturally in several branches of science, including chemistry, geology, biology, medicine, ecology and manufacturing design. In chemistry, these constrained data seem to occur typically when raw data are normalized or when output is obtained from a constrained estimation procedure, such as might be used in a source apportionment problem. It is important not only for chemists to be aware that the usual multivariate statistical techniques are not applicable to constrained data, but also to have access to appropriate techniques as they become available. The currently available methodology is due principally to Aitchison and is based on log-normal models. This paper suggests new parametric and non-parametric approaches to significantly improve the existing methodology. In the parametric setting, some recent work of Rayens and Srinivasan is extended and a practical regression model is proposed. In the development of the non-parametric approach, minimum distance methods coupled with multivariate bootstrap techniques are used to obtain point and region estimators.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050405
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    A test of three fitting criteria for multiresponse non-linear modeling (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 375-387 
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    ISSN: 0886-9383
    Keywords: Determinant criterion ; Multiresponse non-linear fitting ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This work evaluates objective functions for multiresponse non-linear modeling using computer simulations. Tests are performed under a variety of signal-to-noise ratios and noise variance-covariance structures. The standard error of prediction for the model parameters, computed from 50 trials, is used for performance comparisons. The full rank and rank-deficient problems are considered. For the full rank problem one model was investigated, a first-order two-step consecutive reaction model, and two objective functions were considered, the total sum of squares and the determinant criterion. No distinction could be made between the two objective functions for this model.For the rank-deficient case two models were investigated, a first-order two-step consecutive reaction as in the full rank case, and a pH titration model described by the Henderson-Hasselbalch equation. Three objective functions were investigated for the rank-deficient case, the total sum of squares, a weighted total sum of squares and the determinant criterion. The total sum of squares was found to perform poorly under all conditions tested compared to the weighted total sum of squares and the determinant criterion. The determinant criterion was found to perform much better than the other two criteria when the data have a combination of a low signal-to-noise ratio and high variance-covariance noise structure.
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    URL: http://dx.doi.org/10.1002/cem.1180050406
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    The chemometrics team of MITAC (Micro and Trace Analysis Center), University of Antwerp, Belgium (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 405-409 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050408
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  • 22
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    Comparison of pattern recognition descriptors for chemical acoustic emission analysis (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 389-403 
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    ISSN: 0886-9383
    Keywords: Acoustic emission ; Pattern recognition ; Feature selection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Features used to characterize acoustic emission signals from chemical systems are evaluated with regard to their potential for pattern recognition. Eight chemical systems involving phase transitions, hydration, dissolution and effervescence are employed and treated as separate signal classes. These are compared pairwise and the discriminatory capabilities of about 50 features are investigated by computing Fisher weights. Time domain and frequency domain descriptors are examined. Correlations among the features evaluated are also reported. Recommended descriptors are the mean and median frequencies, frequency bandwidth, number of level crossings (0% and 25%), crest factor (time and frequency domains), half-life, kurtosis and normalized percentiles of the signal and its power spectrum. The effectiveness of the recommended descriptors is demonstrated through the separation of signal classes in two different systems (melting ice and an enzyme-catalyzed gas formation reaction) by principal components analysis.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050407
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    Scientific computing and automation (Europe) 1990 (Proceedings of the Scientific Computing and Automation (Europe) Conference, 12-15 June 1990, Maastricht, The Netherlands), edited by E. J. Karjalainen for the series Data Handling in Science and Technology, 6, Elsevier Science Publishers, Amsterdam, 1990, 514 pp., ISBN 0-444-88949-3, US$220.00/Dfl. 385.00 (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 411-412 
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    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.1180050409
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    UNSCRAMBLER 11, version 3.10: A program for multivariate analysis with PLS and PCA/PCR. Available from CAMO AS, Jarlevn. 4, Trondheim, Norway. Price $3000; academic discount price $1500 (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 413-415 
    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.1180050410
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    Announcement (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 416-416 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/cem.1180050411
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    Masthead (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/cem.1180050501
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    Diary (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
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    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.1180050502
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    Rapid estimation of the number of coeluting components in liquid chromatography by factor analysis (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 417-434 
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    ISSN: 0886-9383
    Keywords: Factor analysis ; Power density distribution ; Chromatography ; Absorption spectroscopy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Evaluation of the results of factor analysis of sets of spectroscopically detected chromatograms is carried out by examining the shapes of the abstract factors. This is done either by visual inspection or by analysis of the power density spectra produced from them. Owing to constraints imposed by the column function and the spectroscopic instrument function, the information content of the chromatograms necessarily occurs at low spatial frequencies. As a consequence, it appears as relatively broad features in the abstract chromatograms and as a peak in the low-frequency region of the corresponding power density plot. On the basis of examination of the power density distribution, a well-defined distinction is made between primary and secondary abstract factors. The major uncertainty encountered in determining the number of chemical components appears to arise from effects of contaminants in reagents.
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    A class-modelling technique based on potential functions (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 435-453 
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    ISSN: 0886-9383
    Keywords: Class-modelling methods ; Potential functions ; Pattern recognition ; Discriminant analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A probabilistic and distribution-free class-modelling technique is developed from potential function discriminant analysis. In the multidimensional space of variables the class boundary is built either by the sample percentile of the probability density estimated by means of potential functions, or by the estimate of the ‘equivalent’ determinant of the variance-covariance matrix. The equivalent determinant is that of a hypothetical multivariate normal distribution whose mean probability density was obtained by potential functions. The bases of this modelling rule are evaluated by means of Monte Carlo experiments. The results on four datasets are used to measure the performances of this method, which equal and sometimes exceed the performances of parametric class-modelling methods based on linear and quadratic discriminant analysis which were used for comparison.
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    Correspondence analysis and adsorbate selection for chemical sensor arrays (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 455-465 
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    ISSN: 0886-9383
    Keywords: Correspondence analysis ; Cluster analysis ; Optimization ; Eigenanalysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carey et al. utilized principal components analysis (PCA) to analyze frequency shift data obtained from piezoelectric sensors formed by coating quartz crystals with 27 different GC stationary phases and tested using 14 analytes. The objective of the analysis was to determine an optimal reduced set of coatings for detection of the analytes. The results were correlated with those obtained from cluster analysis. In this paper the data are re-analyzed using correspondence analysis (CA). The advantage of using CA include a symmetric treatment of sensor coatings and analytes and better identification of the representation of the analytes in terms of the detection components. The results obtained by the conjunctive use of PCA, a varimax rotation and cluster analysis were obtained by CA.
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    Fuzzy multivariate rule-building expert systems: Minimal neural networks (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 467-486 
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    ISSN: 0886-9383
    Keywords: Expert system ; Neural network ; Fuzzy entropy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A fuzzy multivariate rule-building expert system (FuRES) has been devised which also functions as a minimal neural network. This system builds rules from training sets of data that use feature transformation in their antecedents. The rules are constructed using the ID3 algorithm with a fuzzy expression of classification entropy. The rules are optimal with respect to fuzziness and can accommodate overlapped and underlapped clusters of data. The FuRES algorithm combines the benefits obtained from simulated annealing and gradient optimization, which provide robustness and efficiency respectively. FuRES classification trees support OR logic in their inference. The system automatically generates meaningful and consistent certainty factors during rule construction. Unlike other neural networks, FuRES uses local processing which furnishes qualitative information in the rule structure of its classification trees and variable loadings of the weight vectors.
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    Masthead (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
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    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.1180050601
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    Diary (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/cem.1180050602
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    Multivariate calibration when data are split into subsets (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 487-501 
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    ISSN: 0886-9383
    Keywords: Calibration ; Locally linear models ; Discrimination ; Optimality ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A calibration situation is considered where the calibration data are split into subsets with good linear relationship between y and x within each group. Different strategies for good prediction in this case are proposed. Modifications for collinear data are considered and a simple simulated data set is used for illustration.
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    Rank-order analysis for robust multiresponse, multiblock comparisons: Evaluation of herbicide interactions (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 503-521 
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    ISSN: 0886-9383
    Keywords: Antagonism ; Bounded ordinal scale ; Herbicide interaction ; Inter block comparisons ; Non-parametric ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Studies of interactions among bioactive compounds are often difficult to interpret unambiguously. A priori assumptions about the nature of such interactions can seriously distort analysis of the data. By applying a rank order analysis appropriate to the naturally ordinal scale of response to xenobiotic insult, several co-herbicides were successfully identified from among numerous candidates in an experiment involving multiple blocks, rates and species. Moreover, underlying herbicide interactions were substantiated and identified which were not apparent by more traditional parametric analysis.
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    Laboratorio di Chemiometria, University of Perugia, Italy (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 537-543 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    Comparison of measurement methods based on a model for the error structure (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 523-536 
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    ISSN: 0886-9383
    Keywords: Measurement errors ; Method comparison ; Mean square successive difference ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Comparison of methods is a technique often used for investigation of systematic errors of measurement methods. As concerns the design and analysis of such comparisons, much variety of opinion and practice exists. In one approach a few specimens are measured several times by different operators in different laboratories (reproducibility conditions) and in another approach several specimens are measured on one or a few occasions by one operator in the same laboratory (repeatability conditions). In this paper a model for the error structure of measurements is formulated and it is emphasized that one has to distinguish between two types of systematic errors: the first type depends only on the level of the measured quantity and the second type is specific for the separate specimens. On the basis of this model the information which can be obtained from the different designs of method comparisons is discussed. A new approach for the analysis of method comparisons with many specimens is also proposed.
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    Masthead (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/cem.1180050101
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    Diary (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Tutorial to robust statistics (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 1-20 
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    ISSN: 0886-9383
    Keywords: Averaging ; Median ; Outliers ; Regression ; Residuals ; Robustness ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this tutorial we first illustrate the effect of outliers on classical statistics such as the sample average. This motivates the use of robust techniques. For univariate data the sample median is a robust estimator of location, and the dispersion can also be estimated robustly. The resulting ‘z-scores’ are well suited to detect outliers. The sample median can be generalized to very large data sets, which is useful for robust ‘averaging’ of curves or images. For multivariate data a robust regression procedure is described. Its standardized residuals allow us to identify the outliers. Finally, a survey of related approaches is given. (This review overlaps with earlier work by the same author, which appeared elsewhere.)
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    Use of the Wronskian determinant in the study of multicomponent systems (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 21-35 
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    ISSN: 0886-9383
    Keywords: Wronskian determinant ; Multicomponent systems ; Derivative spectroscopy ; Spline functions ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of Wronskian determinants in the study of multicomponent systems is proposed. The general theory is presented and applied to the spectrophotometric determination of the number of linearly independent components-absorbers. A detailed study of a two-component system is presented and analysed. Numerical methods for smoothing and differentiation of digitized spectra via cubic splines are used.
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    Announcement (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 69-69 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Masthead (1991)
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    Journal of Chemometrics 5 (1991) 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/cem.1180050201
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    Diary (1991)
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    Journal of Chemometrics 5 (1991), S. i 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Editorial (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 71-71 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    The use of a ratio method as an alternative to constrained deconvolution (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 85-95 
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    ISSN: 0886-9383
    Keywords: Deconvolution ; Gold's ratio ; Iterative deconvolution ; Chromatographic deconvolution ; Peak restoration ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper will consider the use of an iterative ratio technique called Gold's ratio method as an alternative to iterative constrained deconvolution methods for the restoration of overlapped and noisy chromatograpic peaks. The study will consist of first describing the technique and then evaluating its performance with respect to Jansson's deconvolution procedure. A Hewlett-Packard 5890A gas chromatograph will be used to generate most of the test data. The evaluation criteria will include convergence rates, peak area errors and variances, retention time variances and noise performance.
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    A new serial method for searching the optimum operating conditions of a technological process (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 73-84 
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    ISSN: 0886-9383
    Keywords: Optimization ; Technological process ; COMPLEX algorithm ; ANTICOMPLEX algorithm ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new program, named ANTICOMPLEX, has been specially written for searching the optimum conditions of a technological process. The algorithm is based on an iterative procedure with, at each step, a random sampling for a better exploration of the hyperspace of the parameters. Since the process is considered as a ‘black box’, the program operates by successive reductions of the variation domains with a strategy derived from some function optimization (COMPLEX). This approach is very flexible and the experimenter can stop the investigation at any series of experiments according to the desired accuracy for the optimum region. This program has been successfully tested on several real processes. This paper gives a complete description of the approach together with two illustrations on simulated processes.
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    The Laboratory for Chemometrics, University of Washington, Seattle (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 113-116 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Announcements (1991)
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    Journal of Chemometrics 5 (1991), S. 117-119 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/cem.1180050208
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    Regression on multivariate images: Principal component regression for modeling, prediction and visual diagnostic tools (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 97-111 
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    ISSN: 0886-9383
    Keywords: Multivariate images ; Principal component regression ; Multivariate image regression ; Regression model ; Predicted image(s) ; Prediction quality scatter plot ; Visual diagnostic tools ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Regression between two blocks (usually called ‘dependent’ or Y and ‘independent’ or X) of data is a very important scientific and data-analytical tool. Regression on multivariate images is possible and constitutes a meaningful addition to existing univariate and multivariate techniques of image analysis. The regression can be used as a modeling tool or for prediction. The form of the regression equation chosen is dependent upon problem specification and information at hand. This paper describes the use of principal component regression (PCR). Both model building and prediction are presented for continuous Y-variables. The final goal is to supply new image material that can be used for visual inspection on a screen. Also, visual tools for diagnosis of model and prediction are provided, often based on derived image material. Examples of modeling and prediction are given for six channels in a seven-channel satellite image.
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    Masthead (1991)
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    Journal of Chemometrics 5 (1991) 
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    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.1180050301
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    Some issues in chemometrics with environmental applications (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 121-128 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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    Splitting of calibration data by cluster analysis (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 49-65 
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    ISSN: 0886-9383
    Keywords: Calibration ; Cluster analysis ; Local linearity ; Mahalanobis distance ; Residual distance ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The topic of the present paper is the splitting of calibration data into subgroups with improved linearity in each group. The method proposed is based on a criterion which is a weighted average of a Mahalanobis distance and a squared regression residual. The algorithm used to find the solution is based on fuzzy clustering. Two examples are given to illustrate the theory.
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    Generalized simulated annealing for calibration sample selection from an existing set and orthogonalization of undesigned experiments (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 37-48 
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    ISSN: 0886-9383
    Keywords: Optimization ; Simulated annealing ; Calibration ; Experimental design ; Multicomponent analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Generalized simulated annealing (GSA) is an optimization procedure for locating the global optimum (maximum or minimum) of multidimenisonal continuous functions. GSA has been modified for optimization of discrete functions. Selection of calibration samples from an existing set defines discrete optimization and GSA is used to select optimal sets of calibration samples for specific analysis samples. The procedure is applied to near-infrared spectra. When compared to using the complete set of 37 calibration samples, concentration prediction errors were reduced 50%-100% by using select sets of two to seven calibration samples. Additionally, GSA was able to improve a poorly designed experiment. GSA devised augmented experimental designs such that the overall experimental design (original plus augmented) was more orthogonal than the original.
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    Computational methods in the chemical sciences, A. F. Carley and P. H. Morgan, Ellis Horwood, Ltd, Chichester, U.K., 1989. ISBN 0-85312-746-8 (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 68-69 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Computerized multiple input chromatography, M. Kaljurand and E. Küllik, Ellis Horwood, Chichester, U.K., 1989. No. of pages: 225. ISBN 0-7458-0120-X. Price £45.00 (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 67-67 
    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.1180050107
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    Experimental design in chemometricsInvited Paper. (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 181-192 
    Details
    ISSN: 0886-9383
    Keywords: Chemometrics ; Systems theory ; Experimental design ; Multivariate analysis ; Measurement science ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Chemometrics is defined as the application of mathematical and statistical methods to chemical systems. Systems theory is seen to be useful for organizing and categorizing the inputs to and outputs from chemical systems. Advances in measurement science in the 1950s and 1960s, particularly in analytical chemistry, created a need for a multivariate approach to data analysis. Early chemometrics emphasized the use of structure-finding methods for existing data sets. In many instances, data sets can be obtained from designed experiments. Such data sets are more likely to contain the desired information and the data can usually be acquired at less cost. Renewed interest in statistical process control will provide many new, more robust data sets in the future.
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    Simultaneous analysis of Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) by spectrophotometry and the Kalman filter (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 193-199 
    Details
    ISSN: 0886-9383
    Keywords: Kalman filter ; Chemometrics ; 5-Br-PADAP ; Metallic ions ; Simultaneous spectrophotometric determination ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper describes the simultaneous determination of cobalt, nickel, copper, zinc and cadmium by spectrophotometry and the Kalman filter method. Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) react with 5-bromo-2-(2-pyridylazo)-5-diethylaminophenol (5-Br-PADAP) in the presence of cationic surfactant cetyl pyridinium bromide (CPB) to form five different coloured ternary complexes. The absorption curves of these complexes overlap severely in the scanning range 500-620 nm. The Kalman filter algorithm is successfully applied to resolve the overlapped absorption curves and therefore makes the simultaneous determination of these metallic ions possible without tedious pretreatment. The proposed method is applied to analyse the titled elements in synthetic samples and in environmental samples such as hair, fingernail and river water samples with satisfactory results.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050307
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    Step function technique for estimating data uncertainty in experimental results (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 201-209 
    Details
    ISSN: 0886-9383
    Keywords: Uncertainty ; Step function ; Additive model ; Transformation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An additive model is used to express the observed value of a sample characteristic as the sum of the true sample characteristic and a value of the data collection error, commonly known as experimental error. The data uncertainty of the experimental results (or of a survey data set) is defined as the expected squared error. The expected squarred error may change with the sample characteristic, e.g. the error moment could be concentration-dependent. The relationship between the error variance and the analyte concentration may not be very distinct. In such a case the data transformation to stabilize the error moments may not be appropriate. A step function is proposed as an alternative way to represent the second moment of the error. The data uncertainty is defined as the weighted average of the step values of the second raw moment of the error, using the appropriate proportions of the routine samples as weights. The data uncertainties associated with the different data collection stages were evaluated by using regional soil survey data.
    Additional Material: 3 Tab.
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    URL: http://dx.doi.org/10.1002/cem.1180050308
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    Expectation-maximization algorithm for regression, deconvolution and smoothing of shot-noise limited data (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 211-225 
    Details
    ISSN: 0886-9383
    Keywords: Shot noise ; Expectation-maximization ; Regression ; Deconvolution ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple algorithm for deconvolution and regression of shot-noise-limited data is illustrated in this paper. The algorithm is easily adapted to almost any model and converges to the global optimum. Multiple-component spectrum regression, spectrum deconvolution and smoothing examples are used to illustrate the algorithm. The algorithm and a method for determining uncertainties in the parameters based on the Fisher information matrix are given and illustrated with three examples. An experimental example of spectrograph grating order compensation of a diode array solar spectroradiometer is given to illustrate the use of this technique in environmental analysis. The major advantages of the EM algorithm are found to be its stability, simplicity, conservation of data magnitude and guaranteed convergence.
    Additional Material: 7 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180050309
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    Chromatography calendar (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 151-151 
    Details
    ISSN: 0935-6304
    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/jhrc.1240030312
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    The overload phenomenon in gas chromatography (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 248-252 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Column loadability - overload phenomenon ; Non-classical approach to theory of loadability ; Effect on retention times, peak shape ; Effect of column length ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The usual concepts of the dynamics of an overloaded solute band fail to explain several phenomena such as the typical “leading-tail” shape and retention deviations exhibited by overloaded peaks, and why these defects are more commonly observed in short columns. These and other related deviations from theory can be rationalized by a non-classical approach to the overloading phenomenon.
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    Effects of solute-solvent and solvent-solvent association in liquid adsorption chromatography with binary mobile phase (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 257-260 
    Details
    ISSN: 0935-6304
    Keywords: Liquid adsorption chromatography, LSC, LC ; LC with binary mobile phase ; Solute-solvent association ; Solvent-solvent association ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Analytical equations for the capacity ratio in liquid adsorption chromatography with a binary mobile phase, involving solute-solvent and solvent-solvent association in the mobile and surface phases, have been derived. Very simple equations have been obtained for higher values of mole fraction of the more efficient eluting solvent.
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    URL: http://dx.doi.org/10.1002/jhrc.1240030507
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    Chromatography calendar (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 265-265 
    Details
    ISSN: 0935-6304
    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/jhrc.1240030509
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    Stability of the FID sensitivity during an analysis in capillary GC (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 286-290 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary ; Discrimination due to FID ; Effect of carrier gas flow changes on detector sensitivity ; Hydrogen as carrier gas ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The sensitivity of an FID may change when the carrier gas flow rate changes during a chromatographic run. Sample parts which are eluted at reduced FID sensitivity produce a reduced peak area, hence are discriminated as compared to other components. Sensitivity changes were studied for hydrogen as carrier gas. For the detector tested, differences in the carrier gas flow rates of 1 ml/min shifted the FID sensitivity by 1 to 5% (depending on the fuel gas supply). Thus the stability of the sensitivity is no longer ensured as soon as the carrier gas flow rate is changed manually or by an automatic programmer during an analysis. Sensitivity drifts may also occur during temperature programmed runs with a pressure regulated carrier gas supply since the gas flow through the capillary drops with increasing temperature. Such shifts in the response became noticeable as soon as relatively high carrier gas flow rates combined with long range temperature programmes were used. The typical patterns of such discriminations are shown, closing with a discussion on the possibilities for minimizing such undesired effects.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240030605
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    Separation of polychlorinated biphenyls on liquid crystal and isotropic phases (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 301-302 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Polychlorinated biphenyls ; Liquid crystal phase ; Choice of stationary phases for analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/jhrc.1240030609
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    Improved separation with a low temperature column in micro high performance liquid chromatography (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 305-306 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, micro HPLC ; Temperature effect ; Cooled column ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240030612
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    High temperature silylation of glass capillary columns (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 337-344 
    Details
    ISSN: 0935-6304
    Keywords: Gas Chromatography ; Capillary, glass ; Surface deactivation ; High temperature silylation ; Applications ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper describes the results of a study on the deactivation of the surface of glass capillary columns by high temperature silylation (HTS). The different steps, leaching, washing, dehydration and HTS were optimized. A practical procedure yielding a high percentage of very good columns is given. The influence of leaching and HTS on the temperature stability and coating efficiency of capillary columns coated with OV-1 was studied. The inertness of the glass surface after HTS is demonstrated by several examples.
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    URL: http://dx.doi.org/10.1002/jhrc.1240030706
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    An electrically heated sampler/injector suitable for use with high efficiency gas chromatographic columns (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 351-352 
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    ISSN: 0935-6304
    Keywords: Gas chromatography ; Injector ; Concentrator ; Electrically heated inlet ; Capillary columns ; Vapor sampler ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240030708
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    Chlorophyll A in marine phytoplankton: Separation by HPLC and specific fluorimetric detection (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 531-533 
    Details
    ISSN: 0935-6304
    Keywords: HPLC, fluorescence detection ; Chlorophyll A determination in marine phytoplankton ; Effect of mobile phase composition ; Interference from chlorophyll degradation products ; Interferences from carotenoids and xanthophylls ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240031012
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    Surface modification of soft-glass capillaries for gas chromatography by treatment with water vapour (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 537-544 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Chromatographic properties of glass surfaces ; Fluorad FC 431 ; Glass capillary GC of basic compounds ; Modification of glass surfaces ; Deactivation of glass surfaces ; Acid-base behaviour of GC columns ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: “Leaching” or “etching” by strong mineral acids seems to be a necessary pretreatment step for the most commonly used deactivation procedures of glass capillaries by reaction with either polyethylene glycol or silylation reagents. The acidic sites which are formed on the surface during this acid treatment cannot be completely removed by the subsequent deactivation process. This drawback can be overcome by performing the leaching with water vapour, resulting in an accumulation of cations at the surface and a decrease in the number of silanol groups. Capillaries of this type show excellent properties for the chromatography of strongly basic compounds. After the wash-out of the alkaline surface layer, the acidity of the support is suited for the chromatography of strongly basic as well as strongly acidic compounds. Due to a lack of reactive acidic sites, special deactivation procedures have to be applied to capillaries produced in this way.
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    Intermediate test for (fused silica) capillary columns (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 583-584 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; (Fused silica) capillary columns ; Intermediate test ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240031107
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    The varigrad and similar apparatus in gradient liquid chromatography: A systematic computational approach. Part 2: Applications (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 575-582 
    Details
    ISSN: 0935-6304
    Keywords: Numerical examples ; Constant volume Varigrad ; Hydrostatic Varigrad ; Incremental method of gradient elution ; Modified incremental method ; Non-homogeneous Varigrad ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Part 2 deals with the application of the equations derived in Part 1 to the systematic calculations of the constant volume and hydrostatic Varigrads. Examples are given which illustrate the advantage of using the modified incremental method of gradient elution. The non-homogeneous Varigrad, where mixing chambers may vary in volume, is also treated.
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    Fused silica open tubular column for liquid chromatography (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 589-590 
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    ISSN: 0935-6304
    Keywords: Liquid chromatography, (HP)LC, CLC ; Capillary, fused silica with chemically bonded phases ; 30 μm i.d., split sampling ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240031111
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    Corrigenda (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 592-592 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/jhrc.1240031114
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    TLC separation and identification of some monovalent anions (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 651-652 
    Details
    ISSN: 0935-6304
    Keywords: Thin-layer chromatography ; Monovalent anions ; Separation of Cl-, Br-, I-, NO3- and SCN- on a single chromatogram ; Developing solvents ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/jhrc.1240031212
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    Direct measurement of mass fragmentograms for eluents from a micro-liquid chromatograph using an improved nebulizing interface (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 16-20 
    Details
    ISSN: 0935-6304
    Keywords: LC/MS interface ; Nebulizing interface ; Micro-LC ; CI-MS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An improved vacuum nebulizing interface with a very short counter nozzle was developed for direct coupling of a micro-LC and a quadrupole MS with CI-chamber. With the LC-MS system using the nebulizing interface, it became possible to take mass fragmentograms for various less volatile compounds such as glutamic acid, steroids, aromatic amines and chlorine-containing insecticides.
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    Simple conversion of two standard gas chromatographs to all-glass capillary systems (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 11-15 
    Details
    ISSN: 0935-6304
    Keywords: GC instrument conversion ; All-glass GC-2 system ; Phenols ; Hydrocarbons ; Terpenoids ; Linear response ; Reproducibility ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two regular GC instruments were modified with injection port liners, split-mode injection systems, pressure regulators, effluent traps and needle valves to produce an all-glass GC-2 system. This simple and inexpensive system allows the quantitative analyses of phenols, hydrocarbons, acids, sterols, terpenoids, and alkaloids with excellent reproducibility and linear response. Even more impressive was its ability to analyze a C45-terpenoid alcohol, solanesol, as its TMS-derivative (M.W. 702).
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    Advancing the chromatography of GC/FT-IR to WCOT capillary columns (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 87-88 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, wide-bore glass WCOT ; Fourier Transform Infrared/glass capillary GC on-the-fly ; Coupling successful ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By the use of a wide-bore WCOT capillary column, it was possible to obtain the first on-the-fly GC/FT-IR spectra with a WCOT column. This wide-bore WCOT column gave improved separation, as compared to a SCOT column, and yielded identifiable infrared spectra for a real sample.
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    Determination of some biogenic amines by ion-exchange TLC and video-densitometry (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 93-94 
    Details
    ISSN: 0935-6304
    Keywords: Ion-Exchange TLC on resin coated chromatosheets ; Separation of biogenic amines ; Quantitation by video-densitometry ; Biogenic amines in foods and feeds ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240030212
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    Masthead (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980) 
    Details
    ISSN: 0935-6304
    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/jhrc.1240030301
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    Retention time and effective separation factor in series-coupled columns with different stationary phases (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 124-128 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Series-coupled chemically differing columns ; Fundamental studies on the properties for basic theory started ; Retention time and separation efficiency ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Basic expressions are derived for both the retention time and the effective separation factor in serially coupled GC columns. The retention time is determined by two main parameters. The first is the fractional time spent by an unretarded solute in each column which, in turn, is determined by the relative column lengths and flow velocities through each column. The second parameter is the relative mass distribution coefficient of a particular solute in each column; a variable that can be adjusted by changing the relative temperatures of the columns. The expression for the effective separation factor relates the measured separation factor for the series combination to the separation factors on the individual columns, the fractional time spent by an unretarded peak in each column, as well as the relative values of the mass distribution coefficients of a particular solute on the different columns.
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    Identification of hydroquinone and catechol as impurities in reagent-grade phenol using high performance liquid chromatography with ultraviolet and electrochemical detectors (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 133-142 
    Details
    ISSN: 0935-6304
    Keywords: HPLC, UV and EC ; Detector response ratios ; Impurities in Phenol ; Identification using HPLC ; Hydroquinone ; Catechol ; Inactivation of RNA ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several impurities which were suspected to be present in commercial reagent-grade phenol were separated using high performance liquid chromatography following sample concentration by steam distillation. A reverse-phase, microparticulate column and 5 solvent systems containing 5% to 25% methanol in 0.05 M phosphoric acid were used. A variable wavelength ultraviolet detector and an electrochemical detector were connected in series, in that order, to the column. Capacity factors (ḱ) for pyrogallol, hydroquinone, resorcinol, catechol, orcinol and phenol were determined in the 5 solvent systems and compared to ḱ-values of impurities present in the residue remaining from the steam distillation of phenol. Co-chromatography of standards suspected as contaminants and possessing ḱ-values similar to those of impurities were carried out in 3 solvent systems to confirm identical retention characteristics. Detector response ratios of contaminants and suspected standards, using various wavelengths and voltage potential settings, were utilized as major identification parameters. Two of the several contaminants separated were identified as hydroquinone and catechol.
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  • 84
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    Comparison of dynamically coated SE-54, SP-2250 and carbowax 20M wall-coated open tubular (WCOT) glass capillary columns, prepared after surface pretreatment with Superox™-4 or with BaCO3 (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 115-123 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, glass ; Preparation of deactivated capillaries for routine analysis ; Easy deactivation and pretreatment steps described in detail ; Comparison of different modes given ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new surface pretreatment for the preparation of wall-coated open tubular (WCOT) glass capillary columns has been evaluated. This technique involves the application of a non-extractable layer of Superox™-4, a 4,000,000 MW polyethylene glycol, to the glass surface as a pretreatment and deactivation agent. Unlike other polyethylene glycols, Superox-4 is stable at high temperatures (〉 300°C) in the absence of oxygen, coats smoothly onto a bare glass surface and resists droplet formation. WCOT columns (SE-54, Carbowax 20M, and SP-2250) prepared using this technique are compared to columns prepared using a modified Grob [2,3] BaCO3 procedure. The Superox-4 pretreated columns were equal or superior in quality to the BaCO3 pretreated columns, based on the appearance of an activity standard and the effective theoretical plates (Neff) per meter. Chromatograms showing practical application of the WCOT columns prepared using both methods is given.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240030303
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  • 85
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    Inexpensive method for rapid heating of cold traps (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 146-146 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Cold trap heating ; Thermal focussing ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240030309
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    To the editors (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 152-152 
    Details
    ISSN: 0935-6304
    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/jhrc.1240030313
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  • 87
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    High temperature (GC)2 and (GC)2/CI-MS of nucleosides: Analysis of purinyl nucleoside isomer composition (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 161-165 
    Details
    ISSN: 0935-6304
    Keywords: GC, GC/MS ; Capillary, HMDS-deactivated ; On-column injection ; Nucleoside linkage isomers ; Separation, structural assignment feasibilities ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The analysis of low-volatile polar nucleosides by (GC)2/FID and (GC)2/CI-MS, employing HMDS-deactivated glass capillary columns and on-column injection, is described. The four linkage isomers of a specific nucleoside, formed in the synthetic procedure, are in each case sufficiently well separated in the chromatogram; GC/CI-MS allows for a differentiation of N-7 and N-9 linkage isomers.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240030402
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  • 88
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    Effect of test temperature on separation number (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 177-179 
    Details
    ISSN: 0935-6304
    Keywords: Separation number TZ (“Trennzahl”) ; Number of base-line separated peaks between homologue pair ; Is system dependent (partition coefficient, mechanical details, dead volumes, temperature) ; Temperature effects studied ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The separation number is affected by a variety of extra-column factors (e.g. the injection process, the nature of the sample, and plumbing defects in the inlet and detector) as well as factors related to column efficiency. The magnitude of the separation number, as affected by the column, varies inversely with column temperature and directly with the partition ratios of the test compounds. The interrelationships of column temperature and partition ratios are explored.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240030406
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  • 89
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    Retention indices of hydrocarbons up to C14 for the stationary phase squalane (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 199-204 
    Details
    ISSN: 0935-6304
    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/jhrc.1240030415
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  • 90
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    Fitting silica capillary columns with combined metal and graphite ferrules (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 302-302 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary ; Fitting silica capillary columns ; 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/jhrc.1240030610
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  • 91
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    Determination of ethylenediaminetetraacetic acid and related amino-carboxylic acids by gas chromatography (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 309-310 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Amino-carboxylic acid ; Silylation ; 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/jhrc.1240030614
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  • 92
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    Hindelang 1981 (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 320-320 
    Details
    ISSN: 0935-6304
    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/jhrc.1240030620
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  • 93
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    Masthead (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980) 
    Details
    ISSN: 0935-6304
    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/jhrc.1240030601
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  • 94
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    HPLC of fatty acid esters of mono- and polyhydric alcohols. Part 2: Preparative separation (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 277-285 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Preparative separation of esters in RP methanol/water systems ; Mono-, di-, tri-, tetraesters ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper demonstrates how simply and rapidly fatty acid esters of mono- and polyhydric alcohols can be separated quantitatively in preparative quantities on Lobar® RP-8 packed columns. After the separation of unknown mixtures, the isolated esters are identified from spectroscopic data (IR/NMR) and, after saponification of the ester components (fatty acids and alcohols), from the retention times of gas and high-pressure liquid chromatographic separations. Thus, in particular, sparingly volatile or nonvolatile partial esters of polyhydric alcohols, as well as the long-chained full esters, can be determined qualitatively and quantitatively.The following fatty acid esters of mono- and polyhydric alcohols have been separated: the i-propylesters of the laurinic and myristinic acids, the i-butyl-, i-octyl- and i-octadecyl-esters of the palmitinic and stearic acids, the mono- and di-fatty acid esters of the 1,3-bis-(2-hydroxyethyl)-5,5-dimethylhydantoins, the mono-, di- and tri-esters of the trimethylalpropane and the full esters of the pentaerythrite.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240030604
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  • 95
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    Separation of pesticides by capillary gas chromatography. Part 1: s-Triazines and substituted urea herbicides (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 299-300 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, WCOT glass ; Urea herbicides ; s-Triazines herbicides and metabolites ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The authors have shown that capillary columns are perfectly adequate for the separation of s-triazine herbicides and urea herbicides. The method presented remains adequate when the initial molecules are accompanied by some of their metabolites.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240030608
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  • 96
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    Application of a conventional purging device interfaced to a computerized GC/MS for analyzing volatile organic compounds in soil-sediment (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 360-361 
    Details
    ISSN: 0935-6304
    Keywords: Standard purging device for soil volatiles ; Sample preparation procedure ; Deuterated internal standard control ; Computerized GC/MS identification ; Analysis within one hour, low ppb sensitivity ; 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/jhrc.1240030713
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  • 97
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    Product news (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 376-378 
    Details
    ISSN: 0935-6304
    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/jhrc.1240030717
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  • 98
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    High pressure liquid chromatography of standard and amniotic fluid phospholipids (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 400-404 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Thin-layer chromatography, TLC ; Amniotic fluid ; Fetal lung maturity ; Phospholipids ; Lecithin/Sphingomyelin ratio, L/S ; Shake test ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for the HPLC separation of phosphatidylglycerol (PG), phosphatidylinositol (PI), phosphatidylcholine (PC), and sphingomyelin (SPH) was achieved using five in-series columns packed with LiChrosorb, Partisil, and μ-Porasil adsorbents, a solvent mixture of chloroform/methanol/ammonium hydroxide (50 : 36 : 6.7, by volume), and a Pye LCM2 Moving Wire (FID) detector. The same phospholipid mixture was also separated using four μ-Porasil columns with the same eluent and detector. The latter conditions were found to be suitable for the analysis of phospholipids obtained after centrifuging, extraction, and precipitation of surface-active lipid components of patient amniotic fluid collected at amniocentesis section. The lecithin/sphingomyelin (L/S) ratios, determined by the HPLC method, correlated well with those determined by the TLC technique in four normal pregnancies, whereas results of shake tests did not correlate too well with L/S ratios determined by the above two chromatographic methods. Besides the lecithin/sphingomyelin ratio, the present method was able to supply additional information: the concentrations of phosphatidylglycerol and phosphatidylinositol, for prediction of fetal lung maturity, and the palmitic acid content of amniotic fluid phosphatidylcholine.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240030804
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  • 99
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    Identification of volatile organic sulfur compounds in municipal sewage systems by GC/MS (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 415-416 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography/mass spectrometry ; Volatile sulfur compounds from waste water ; Adsorption of air samples on tenax GC ; Mechanism of corrosion of concrete ; 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/jhrc.1240030808
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  • 100
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    Computer supported comparison of gas chromatographic analyses (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 326-332 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Column chromatography ; Run comparison with corrections for variations in injected sample sizes ; Chromatogram reconstruction on a graphics terminal ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The application of a Hewlett-Packard 3354 B Laboratory Automation System has been studied in order to compare a series of gas chromatographic analyses. A computer program has been designed for the chromatogram reconstruction of all valid sample runs from a system subsequence on an HP-2648 A graphics CRT terminal. The detector signals of the runs are compensated for variations in injected sample sizes when a number of conditions are met.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240030704
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