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  • 1
    Electronic Resource
    Electronic Resource
    Partial least squares techniques in the energy-dispersive x-ray fluorescence determination of sulfur-graphite mixtures (1993)
    s.l. : American Chemical Society
    Analytical chemistry 65 (1993), S. 1181-1185 
    Details
    ISSN: 1520-6882
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ac00057a013
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  • 2
    Electronic Resource
    Electronic Resource
    Variation of skin properties within human forearms demonstrated by non-invasive detection and multi-way analysis (2002)
    Oxford, UK : Munksgaard International Publishers
    Skin research and technology 8 (2002), S. 0 
    Details
    ISSN: 1600-0846
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: Background/aim: It is known that the properties of human skin vary locally. The purpose of this study was to investigate the properties of human volar forearms even further using advanced non-invasive techniques and numerical methods.Methods: The skin properties of human volar forearms were investigated using measurements of trans epidermal water loss and multifrequency electrical impedance. Eight sites on the forearms of 27 healthy volunteers were measured. The sites were oriented as squares, four sites on both left and right forearm, approximately 40–50 mm apart.Results: Analysis of variance showed significant differences for epidermal water loss (P 〈 0.01) and the skin impedance (P 〈 0.001) between the inner and outer sides of the arms. Additionally, parallel factor analysis of the full skin impedance spectra also showed that there are systematic differences between right and left arm (P 〈 0.01).Conclusion: It is crucial to design skin studies carefully in order to minimise the effects of the local skin properties of human skin.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1034/j.1600-0846.2002.20355.x
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  • 3
    Electronic Resource
    Electronic Resource
    Objective measurements of radiotherapy-induced erythema (2004)
    Oxford, UK : Munksgaard International Publishers
    Skin research and technology 10 (2004), S. 0 
    Details
    ISSN: 1600-0846
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: Background/aims: The development of acute radiation erythema is a common phenomenon among patients undergoing radiotherapy treatment. Because of the absence of reliable objective classification methods, the degree of skin reaction can at present mainly be judged subjectively in the clinic. This has motivated the present preliminary study, concerning the first steps in the development of an objective method for skin reaction classification.Methods: Three non-invasive techniques were used: near-infrared (NIR) spectroscopy, laser Doppler perfusion imaging and digital photography. The NIR spectra were analysed with principal component analysis (PCA), and the results from the other two with traditional univariate methods. Measurements were made on breast cancer patients who had been exposed to different irradiation doses. A total of 28 breast cancer patients participated one to three times each; 12 were treated with photons at 4 or 6 MeV and 16 were treated with high-energy electrons between 10 and 20 MeV to a maximum dose of 50 Gy.Results: PCA of NIR spectra shows that information on radiation dose lies mainly in the first principal component. It is observed that the higher the dose the higher the score value. The results from the laser Doppler measurements show that in 79% of the cases the perfusion increases significantly with radiation dose. Analysis of the digital photography shows that a proposed skin redness index (SRI), increases with a higher radiation dose. However, the increase in most cases is not significant. By combining all data, correlation to radiation doses was seen for 74% of the patients who participated more than once.Conclusion: All three non-invasive methods correlate with the radiation dose but to various degrees. NIR spectroscopy, laser Doppler and a combination of the three techniques are the most promising methods for characterising erythema.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1600-0846.2004.00078.x
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  • 4
    Electronic Resource
    Electronic Resource
    Assessment of skin lesions and skin cancer using simple electrical impedance indices (2003)
    Oxford, UK : Munksgaard International Publishers
    Skin research and technology 9 (2003), S. 0 
    Details
    ISSN: 1600-0846
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: Background/aims: Purpose of this investigation was to assess benign pigmented cellular nevus (BEN), basal cell carcinoma (BCC), dermatofibroma (DER), dysplastic nevus (DYS), and seborrheic keratoses (SEB) using in vivo non- invasive electrical impedance technique.Methods: Electrical impedance was measured at 258 BEN, 34 BCC, 17 DER, 35 DYS, and 26 SEB lesions. Controls were measured at healthy skin close to the lesions. The impedance was measured between 1 kHz and 1 MHz at five depth settings. After the impedance measurements the lesions were histopathologically diagnosed. The impedance spectra were parameterized to four indices prior to the statistical analysis of the data.Results: There were significant differences between the lesions and their controls for BEN (P 〈 0.001), BCC (P 〈 0.001), DYS (P 〈 0.01), and SEB (P 〈 0.01).Conclusions: There are clear statistical differences between impedance of common lesions and control skin. With some further developments, the impedance technique can be useful as a diagnostic decision support tool for skin cancer assessment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1034/j.1600-0846.2003.00017.x
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  • 5
    Electronic Resource
    Electronic Resource
    Non-invasive and microinvasive electrical impedance spectra of skin cancer – a comparison between two techniques (2005)
    Oxford, UK : Munksgaard International Publishers
    Skin research and technology 11 (2005), S. 0 
    Details
    ISSN: 1600-0846
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: Background/purpose: Bio-electrical impedance spectra of skin cancer and other lesions can be assessed using both regular non-invasive probes and a novel type of microinvasive electrode system with a surface furnished with tiny spikes that penetrate stratum corneum. The aim of the study was to compare the accuracy of detection for various types of skin cancer using impedance spectra measured with these two different electrode systems in an objective way without optimising the power of discrimination.Methods: Impedance spectra of 99 benign nevi, 28 basal cell carcinomas (BCC), and 13 malignant melanomas (MM) were measured using the two electrode systems. Classification of the lesions was made using Fisher's linear discriminant, and the sensitivities and specificities of the techniques were estimated using cross-validation.Results: The best separation between nevi and BCC was achieved using the regular non-invasive probe (96% sensitivity and 86% specificity), whereas the best separation between nevi and MM was achieved using the microinvasive electrodes (92% sensitivity and 80% specificity).Conclusions: Our results indicate that the choice of electrode system is application dependent.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.0909-725X.2005.00125.x
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  • 6
    Electronic Resource
    Electronic Resource
    Residual bilinearization. Part 1: Theory and algorithms (1990)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 4 (1990), S. 79-90 
    Details
    ISSN: 0886-9383
    Keywords: PLS ; Three-way matrices ; Calibration ; Residual bilinearization ; Background correction ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: When using hyphenated methods in analytical chemistry, the data obtained for each sample are given as a matrix. When a regression equation is set up between an unknown sample (a matrix) and a calibration set (a stack of matrices), the residual is a matrix R.The regression equation is usually solved by minimizing the sum of squares of R. If the sample contains some constituent not calibrated for, this approach is not valid. In this paper an algorithm is presented which partitions R into one matrix of low rank corresponding to the unknown constituents, and one random noise matrix to which the least squares restrictions are applied. Properties and possible applications of the algorithm are also discussed.In Part 2 of this work an example from HPLC with diode array detection is presented and the results are compared with generalized rank annihilation factor analysis (GRAFA).
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180040109
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  • 7
    Electronic Resource
    Electronic Resource
    The start and early history of chemometrics: Selected interviews. Part 1 (1990)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 4 (1990), S. 337-354 
    Details
    ISSN: 0886-9383
    Keywords: Chemometrics ; Chemometrics Society ; History of chemometrics ; Pioneers of modern chemometrics ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This is a first foray into the historical start and early years of chemometrics from about 1972 onwards. We have gathered interviews with three originators (Kowalski, Wold and Massart) as well as with a selected group of six other well-known chemometricians who gradually became active in the 1970s (Christie, Clementi, Hopke, Martens, Brown and Deming). The interviews include amongst a host of subjective recollections a succinct record of the key historical literature as highlighted by the interviewees' own rankings of ‘earliest’ and ‘best’.A discussion of the most general commonalities in these interviews together with other historical material is presented in the second part of the paper.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180040503
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  • 8
    Electronic Resource
    Electronic Resource
    The start and early history of chemometrics: Selected interviews. Part 2 (1990)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 4 (1990), S. 389-412 
    Details
    ISSN: 0886-9383
    Keywords: Chemometrics ; Chemometrics Society ; History of chemometrics ; Pioneers of modern chemometrics ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This is a first foray into the historical start and early years of chemometrics from about 1972 onwards. We have gathered interviews with three originators (Kowalski, Wold and Massart) as well as with a selected group of six other well-known chemometricians who gradually became active in the 1970s (Christie, Clementi, Hopke, Martens, Brown and Deming). The interviews include amongst a host of subjective recollections a succinct record of the key historical literature as highlighted by the interviewees' own rankings of ‘earliest’ and ‘best’.A discussion of the most general commonalities in these interviews together with other historical material is presented in the second part of the paper.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180040604
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    Paper (German National Licenses)
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  • 9
    Electronic Resource
    Electronic Resource
    EDITORIAL (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 453-454 
    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.1180070602
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    Paper (German National Licenses)
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  • 10
    Electronic Resource
    Electronic Resource
    A PLS kernel algorithm for data sets with many variables and fewer objects. Part 1: Theory and algorithm (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 111-125 
    Details
    ISSN: 0886-9383
    Keywords: PLS regression algorithm ; Kernel ; Many-variable data sets ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A fast PLS regression algorithm dealing with large data matrices with many variables (K) and fewer objects (N) is presented For such data matrices the classical algorithm is computer-intensive and memory-demanding. Recently, Lindgren et al. (J. Chemometrics, 7, 45-49 (1993)) developed a quick and efficient kernel algorithm for the case with many objects and few variables. The present paper is focused on the opposite case, i.e. many variables and fewer objects. A kernel algorithm is presented based on eigenvectors to the ‘kernel’ matrix XX TYYT, which is a square, non-symmetric matrix of size N × N, where N is the number of objects. Using the kernel matrix and the association matrices XXT (N × N) and YYT (N × N), it is possible to calculate all score and loading vectors and hence conduct a complete PLS regression including diagnostics such as R2. This is done without returning to the original data matrices X and Y. The algorithm is presented in equation form, with proofs of some new properties and as MATLAB code.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080204
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