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  • Analytical Chemistry and Spectroscopy  (6,621)
  • Physics
  • 2000-2004  (123)
  • 1995-1999  (2,778)
  • 1980-1984  (6,977)
  • 1925-1929
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  • 1
    Unknown
    Amsterdam ; New York : North-Holland Pub. Co
    Keywords: DDC 530.1 ; LC QC20 ; Mathematical physics ; Physics ; Quantum theory ; Relativity (Physics)
    ISBN: 9780444875853
    Language: English
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  • 2
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    Amsterdam ; New York : Elsevier
    Keywords: DDC 511.3 ; LC QA9.9 ; Brain - Mathematical models ; Cognition ; Cognition - Mathematical models ; Matrix logic ; Models, Theoretical ; Physics ; Quantum theory
    Pages: Online-Ressource (xii, 588 pages)
    ISBN: 9780444826183
    Language: English
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  • 3
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    In:  J. Geophys. Res., Warszawa, American Geophysical Union, vol. 103, no. B7, pp. 15,239-15,253, pp. L08304, (ISSN: 1340-4202)
    Publication Date: 1998
    Keywords: Stress ; Rock mechanics ; Fracture ; Physical properties of rocks ; Laboratory measurements ; 5104 ; Fracture ; and ; flow ; 8010 ; Structural ; geology ; Fractures ; and ; faults ; 8168 ; Tectonophysics ; Stresses--general ; 8439 ; Volcanology ; Physics ; and ; chemistry ; of ; magma ; bodies ; Muller ; JGR
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  • 4
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    In:  J. Geophys. Res., Kalamazoo, Michigan 49001, The Upjohn Company, vol. 103, no. B8, pp. 18,295-18,324, pp. L09603, (ISSN: 1340-4202)
    Publication Date: 1998
    Keywords: Elasticity ; Volcanology ; 8434 ; Volcanology ; Magma ; migration ; 8145 ; Tectonophysics ; JGR ; Physics ; of ; magma ; and ; magma ; bodies ; 8414 ; Eruption ; mechanisms
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  • 5
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    In:  J. Geophys. Res., Amsterdam, Schweizerbart'sche Verlagsbuchhandlung, vol. 107, no. B10, pp. ECV 6-1-ECV 6-17, pp. 2223, (ISSN 0016-8548, ISBN 3-510-50045-8)
    Publication Date: 2002
    Description: We use laboratory experiments and numerical models to quantify the effects of dike interaction on the focusing of magma as it ascends in the upper mantle. Laboratory experiments involve injecting buoyant fluid into the base of a tank filled with solidified gelatin. When we initiate two dikes parallel to each other, but separated by a horizontal distance x, they tend to merge as they ascend. This behavior is also predicted by numerical models of two-dimensional dikes. The key parameters that control the maximum horizontal separation x c over which dikes will intersect are dike driving pressures, dike head lengths L (i.e., the length over which driving pressure is large), and the difference between the principal stresses of the remote stress field. When the remote differential stress is small compared to the dike driving pressure, two dikes of equal driving pressure and length will intersect over distances of x c ? L. This distance decreases with increasing remote differential stress. We quantify the effects on magma transport from a broad lateral distribution of magma using numerical simulations of multiple-dike interaction. When the average dike spacing prior to interaction is within ?3 L and remote differential stresses are insignificant, dike interaction can focus magma over horizontal distances many times L but at least ?6 L. Dike interaction can focus magma in the asthenosphere beneath mid-ocean ridges for low mantle viscosities (?10 19 Pa s) and if dikes initiate with average separations of a few hundred meters, or less. Such focusing is predicted to grow dikes of increasing magma flux approaching lateral separations of a kilometer.
    Keywords: Fluids ; Plate tectonics ; ascent ; sheeted ; dykes ; Modelling ; JGR ; 8434 ; Volcanology: ; Magma ; migration ; 8145 ; Tectonophysics: ; Physics ; of ; magma ; and ; magma ; bodies ; 8120 ; Dynamics ; of ; lithosphere ; and ; mantle--general ; 3035 ; Marine ; Geology ; and ; Geophysics: ; Midocean ; ridge ; processes
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  • 6
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    In:  Geophys. Res. Lett., New York, Conseil de l'Europe, vol. 25, no. 12, pp. 2237-2240, pp. B06307, (ISSN: 1340-4202)
    Publication Date: 1998
    Keywords: Volcanology ; Earthquake precursor: chemical (Rn, water(-level,...) ; TIDES ; Earth tides ; Physical properties of rocks ; 8135 ; Tectonophysics ; GRL ; Hydrothermal ; systems ; (8424) ; 8439 ; Volcanology ; Physics ; and ; chemistry ; of ; magma ; bodies ; 7223 ; Seismology ; Seismic ; hazard ; assessment ; and ; prediction ; 1832 ; Hydrology ; Groundwater ; transport
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  • 7
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    In:  J. Geophys. Res., Hannover, Dt. Geophys. Ges. e. V., vol. 105, no. B4, pp. 8103-8120, pp. 1058, (ISSN: 1340-4202)
    Publication Date: 2000
    Keywords: Crustal deformation (cf. Earthquake precursor: deformation or strain) ; InSAR ; Geodesy ; Modelling ; JGR ; 1243 ; Geodesy ; and ; gravity ; Space ; geodetic ; surveys ; 3210 ; Mathematical ; geophysics ; (new ; field) ; Modeling ; 8145 ; Tectonophysics ; Physics ; of ; magma ; and ; magma ; bodies ; 8499 ; Volcanology
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  • 8
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    In:  Geophys. Res. Lett., Kobe, 1, vol. 26, no. 23, pp. 3437-3440, pp. 8010, (ISBN: 0534351875, 2nd edition)
    Publication Date: 1999
    Description: The formation of ocean crust along the midocean ridge system is volumetrically one of the most important geological processes on the surface of the earth. Volcanic eruptions along the ridge can be catastrophic events during which magma rises to the surface of the sea floor to release heat and gases into turbulent megaplumes that disrupt the overlying water column, initiate and rejuvenate hydrothermal circulation, and trigger an outpouring of microbial debris. Though these events may persist only a few weeks or months at one site, taken together, they may play a major role in the oceanic biogeochemical cycle. Axial Volcano on the Juan de Fuca Ridge has become a laboratory for the study of ephemeral aspects of sea floor volcanism, including results from expeditionary, rapid response, and permanent instrument installations. The geological context and description of the most significant magmatic event on the Juan de Fuca Ridge in the past decade is provided by Embley et al. [3425]. Dziak and Fox [3429], describe a rapid increase in the seismicity remotely monitored by the U.S. Navy hydrophone array. The increase in seismic swarms is the earliest indicator that an eruption has begun. Within hours, volcanic deflation is observed in concert with increases in the bottom water temperature due to venting. Instruments in place for the first time during such a midocean ridge volcanic event measured ground deformation and caldera subsidence resulting from the extraction of magma as described by Fox [3437] and Chadwick et al. [3441], while a coincident outpouring of hot water recorded on moored temperature sensors is described in Baker et al. [3445]. A rapid response cruise in February brought researchers to the site only 14 days after the eruption began and in the midst of winter storms. Sohn et al. [3433] describe local seismicity derived from a network of sea floor hydrophones deployed during the February cruise. Repeated measurements of helium anomalies in the water column before and after the eruption are used by Lupton et al. [3449] to fingerprint the hydrothermal plume associated with the eruption, extending a considerable distance off-axis. Water samples collected during the February 1998 cruise were analyzed for hydrothermal methane and hydrogen by McLaughlin-West et al. [3453]. They find both species to be significantly elevated near the vents and invoke microbial processes to explain the observations.
    Keywords: Crustal deformation (cf. Earthquake precursor: deformation or strain) ; Volcanology ; 3035 ; Marine ; geology ; and ; geophysics ; Midocean ; ridge ; processes ; 8145 ; Tectonophysics ; Physics ; of ; magma ; and ; magma ; bodies ; 8419 ; Volcanology ; Eruption ; monitoring ; (7280) ; 8434 ; Magma ; migration ; GRL
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  • 9
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    In:  Geophys. Res. Lett., London, Pergamon, vol. 24, no. 13, pp. 1559-1562, pp. B05401, (ISBN: 0534351875, 2nd edition)
    Publication Date: 1997
    Keywords: Volcanology ; Stress ; Iceland ; 8145 ; Tectonophysics ; Physics ; of ; magma ; and ; magma ; bodies ; 8414 ; Volcanology ; Eruption ; mechanisms ; GRL
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  • 10
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    In:  Geophys. Res. Lett., Dordrecht, National Academy of Sciences of the USA, vol. 24, no. 15, pp. 1843-1846, pp. TC5003, (ISSN: 1340-4202)
    Publication Date: 1997
    Keywords: Iceland ; SAR ; InSAR ; Plate tectonics ; Crustal deformation (cf. Earthquake precursor: deformation or strain) ; 1209 ; Geodesy ; Gravimetry, Gravitation ; 8145 ; Tectonophysics ; Physics ; of ; magma ; and ; magma ; bodies ; 8150 ; Plate ; boundary ; general ; Massonet ; (3040) ; 3035 ; Marine ; geology ; and ; geophysics ; Midocean ; ridge ; processes ; Volcanology ; GRL
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  • 11
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    In:  Geophys. Res. Lett., Hannover, Dt. Geophys. Ges. e. V., vol. 25, no. 10, pp. 1549-1552, pp. 1058, (ISSN: 1340-4202)
    Publication Date: 1998
    Keywords: Volcanology ; Modelling ; InSAR ; Crustal deformation (cf. Earthquake precursor: deformation or strain) ; 1243 ; Geodesy ; and ; gravity ; Space ; geodetic ; surveys ; 3210 ; Mathematical ; geophysics ; (new ; field) ; Modeling ; 8145 ; Tectonophysics ; Physics ; of ; magma ; and ; magma ; bodies ; 8499 ; Volcanology ; General ; or ; miscellaneous ; GRL
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  • 12
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2000-06-08
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Normile, D -- New York, N.Y. -- Science. 2000 May 19;288(5469):1165.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/10841732" target="_blank"〉PubMed〈/a〉
    Keywords: *Academies and Institutes/economics ; Animals ; Astronomical Phenomena ; Astronomy ; Chloroplasts/genetics ; Drosophila/genetics ; Interferometry ; *Molecular Biology/economics ; Physical Phenomena ; Physics ; *Research/economics ; Research Support as Topic ; Taiwan
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 13
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2001-06-09
    Description: A free-electron laser consists of an electron beam propagating through a periodic magnetic field. Today such lasers are used for research in materials science, chemical technology, biophysical science, medical applications, surface studies, and solid-state physics. Free-electron lasers with higher average power and shorter wavelengths are under development. Future applications range from industrial processing of materials to light sources for soft and hard x-rays.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉O'Shea, P G -- Freund, H P -- New York, N.Y. -- Science. 2001 Jun 8;292(5523):1853-8.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Electrical and Computer Engineering and Institute for Plasma Research, University of Maryland, College Park, MD 20742, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/11397938" target="_blank"〉PubMed〈/a〉
    Keywords: Biochemical Phenomena ; Biochemistry ; Biological Science Disciplines ; Electromagnetic Fields ; Electrons ; Laser Therapy ; *Lasers ; Physical Phenomena ; Physics ; *Research
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 14
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2001-12-26
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉New York, N.Y. -- Science. 2001 Dec 21;294(5551):2443-7.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/11752538" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Antineoplastic Agents/therapeutic use ; Axons/physiology ; Benzamides ; Carbon ; Climate ; Ecosystem ; Electronics ; Genome, Human ; Humans ; Imatinib Mesylate ; Leukemia, Myelogenous, Chronic, BCR-ABL Positive/drug therapy ; Physical Phenomena ; Physics ; Piperazines/therapeutic use ; Pyrimidines/therapeutic use ; Rna ; *Research ; *Science
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 15
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2002-10-09
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Radny, Marian W -- New York, N.Y. -- Science. 2002 Oct 4;298(5591):59; author reply 59.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/12365438" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Body Constitution ; Body Weight ; *Carnivora/anatomy & histology/metabolism ; *Ecosystem ; *Food ; Physical Phenomena ; Physics ; Population Density
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 16
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2001-06-16
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Malakoff, D -- New York, N.Y. -- Science. 2001 Jun 15;292(5524):1979.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/11408626" target="_blank"〉PubMed〈/a〉
    Keywords: *Bacterial Physiological Phenomena ; Financing, Government ; Geological Phenomena ; Geology ; Gold ; *Laboratories ; *Mining ; *Natural Science Disciplines ; Physical Phenomena ; Physics ; Research ; United States
    Print ISSN: 0036-8075
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  • 17
    Publication Date: 2001-09-15
    Description: Recent advances in machine learning methods, along with successful applications across a wide variety of fields such as planetary science and bioinformatics, promise powerful new tools for practicing scientists. This viewpoint highlights some useful characteristics of modern machine learning methods and their relevance to scientific applications. We conclude with some speculations on near-term progress and promising directions.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Mjolsness, E -- DeCoste, D -- New York, N.Y. -- Science. 2001 Sep 14;293(5537):2051-5.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Machine Learning Systems Group, Jet Propulsion Laboratory/California Institute of Technology, Pasadena, CA, 91109, USA. mjolsness@jpl.nasa.gov〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/11557883" target="_blank"〉PubMed〈/a〉
    Keywords: Algorithms ; Animals ; *Artificial Intelligence ; Astronomical Phenomena ; Astronomy ; Cluster Analysis ; *Computational Biology ; Computer Simulation ; Gene Expression Profiling ; Gene Expression Regulation ; Image Processing, Computer-Assisted ; Neural Networks (Computer) ; Physical Phenomena ; Physics ; Robotics
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 18
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2002-03-30
    Description: Beyond molecular chemistry based on the covalent bond, supramolecular chemistry aims at developing highly complex chemical systems from components interacting through noncovalent intermolecular forces. Over the past quarter century, supramolecular chemistry has grown into a major field and has fueled numerous developments at the interfaces with biology and physics. Some of the conceptual advances and future challenges are profiled here.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Lehn, Jean-Marie -- New York, N.Y. -- Science. 2002 Mar 29;295(5564):2400-3.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Institut de Science et d'Ingenierie Supramoleculaires (ISIS), Universite Louis Pasteur, 67000 Strasbourg, and College de France, 75005 Paris, France. lehn@chimie.u-strasbg.fr〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/11923524" target="_blank"〉PubMed〈/a〉
    Keywords: Biology ; Chemical Phenomena ; *Chemistry ; Chemistry, Physical ; Molecular Structure ; Nanotechnology ; Physical Phenomena ; Physicochemical Phenomena ; Physics ; *Polymers/chemistry
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 19
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2003-07-12
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Vogel, Gretchen -- New York, N.Y. -- Science. 2003 Jul 11;301(5630):150.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/12855778" target="_blank"〉PubMed〈/a〉
    Keywords: *Biomedical Research ; Germany ; Neurosciences ; Physical Phenomena ; Physics ; Publishing ; Research/*standards ; Research Support as Topic ; *Scientific Misconduct
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 20
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2004-07-03
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Stec, Boguslaw -- New York, N.Y. -- Science. 2004 Jul 2;305(5680):41-4; author reply 41-4.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15232089" target="_blank"〉PubMed〈/a〉
    Keywords: Adaptation, Biological ; *Cells ; *Life ; Physical Phenomena ; Physics ; Proteins/*chemistry ; Selection, Genetic ; Thermodynamics
    Print ISSN: 0036-8075
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    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 21
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2004-10-09
    Description: Space used by animals increases with increasing body size. Energy requirements alone can explain how population density decreases, but not the steep rate at which home range area increases. We present a general mechanistic model that predicts the frequency of interaction, spatial overlap, and loss of resources to neighbors. Extensive empirical evidence supports the model, demonstrating that spatial constraints on defense cause exclusivity of home range use to decrease with increasing body size. In large mammals, over 90% of available resources may be lost to neighbors. Our model offers a general framework to understand animal space use and sociality.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Jetz, Walter -- Carbone, Chris -- Fulford, Jenny -- Brown, James H -- New York, N.Y. -- Science. 2004 Oct 8;306(5694):266-8.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Ecology and Evolutionary Biology, Princeton University, Princeton, NJ 08544-1003, USA. wjetz@princeton.edu〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15472074" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Body Constitution ; Body Weight ; Conservation of Natural Resources ; *Ecosystem ; Energy Metabolism ; Environment ; *Homing Behavior ; *Mammals/anatomy & histology/metabolism ; Mathematics ; *Models, Biological ; Physical Phenomena ; Physics ; Population Density
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    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 22
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2004-12-18
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉New York, N.Y. -- Science. 2004 Dec 17;306(5704):2012.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15604367" target="_blank"〉PubMed〈/a〉
    Keywords: Access to Information ; Animals ; Biological Warfare ; Ecosystem ; Genome ; Information Dissemination ; Mars ; Physical Phenomena ; Physics ; Publishing ; *Science ; Security Measures
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 23
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2004-12-18
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉New York, N.Y. -- Science. 2004 Dec 17;306(5704):2013-7.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15604368" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Biodiversity ; Biological Evolution ; Cloning, Organism ; DNA, Intergenic ; Genome ; Hominidae/anatomy & histology ; Humans ; Physical Phenomena ; Physics ; Public Health ; *Science ; Water/chemistry
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    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 24
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2004-08-03
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Cho, Adrian -- New York, N.Y. -- Science. 2004 Jul 30;305(5684):643-4.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15286364" target="_blank"〉PubMed〈/a〉
    Keywords: *Biomechanical Phenomena ; *Engineering ; History, 20th Century ; History, 21st Century ; Humans ; Mathematics ; Mechanics ; Physics ; Research Support as Topic ; *Sports ; *Sports Equipment ; United States
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 25
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2004-05-29
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Malakoff, David -- New York, N.Y. -- Science. 2004 May 28;304(5675):1281.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15166361" target="_blank"〉PubMed〈/a〉
    Keywords: Career Choice ; Emigration and Immigration ; History, 20th Century ; History, 21st Century ; India ; Physics ; Public Health ; United States
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    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 26
    Publication Date: 2003-11-15
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Malakoff, David -- Cho, Adrian -- New York, N.Y. -- Science. 2003 Nov 14;302(5648):1126-7.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/14615496" target="_blank"〉PubMed〈/a〉
    Keywords: Computers ; Facility Design and Construction ; Financing, Government ; Molecular Biology ; Nuclear Reactors ; Physical Phenomena ; Physics ; *Research Support as Topic ; United States ; *United States Government Agencies
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  • 27
    Publication Date: 2003-04-19
    Description: Using three-dimensional infrared high-speed video, we captured the wing and body kinematics of free-flying fruit flies as they performed rapid flight maneuvers. We then "replayed" the wing kinematics on a dynamically scaled robotic model to measure the aerodynamic forces produced by the wings. The results show that a fly generates rapid turns with surprisingly subtle modifications in wing motion, which nonetheless generate sufficient torque for the fly to rotate its body through each turn. The magnitude and time course of the torque and body motion during rapid turns indicate that inertia, not friction, dominates the flight dynamics of insects.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Fry, Steven N -- Sayaman, Rosalyn -- Dickinson, Michael H -- New York, N.Y. -- Science. 2003 Apr 18;300(5618):495-8.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Institute of Neuroinformatics, University/ETH Zurich, Winterthurerstr. 190, CH-8057 Zurich, Switzerland.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/12702878" target="_blank"〉PubMed〈/a〉
    Keywords: Acceleration ; Animals ; Biomechanical Phenomena ; Body Constitution ; Drosophila melanogaster/anatomy & histology/*physiology ; Flight, Animal/*physiology ; Friction ; Mathematics ; Motion ; Movement ; Physical Phenomena ; Physics ; Robotics ; Rotation ; Torque ; Video Recording ; Wings, Animal/*physiology
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 28
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2003-07-26
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Couzin, Jennifer -- New York, N.Y. -- Science. 2003 Jul 25;301(5632):444.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/12881536" target="_blank"〉PubMed〈/a〉
    Keywords: *Biological Science Disciplines ; Budgets ; Financing, Government ; *National Institutes of Health (U.S.) ; *Natural Science Disciplines ; Physical Phenomena ; Physics ; *Research Support as Topic ; United States
    Print ISSN: 0036-8075
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    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 29
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2004-10-09
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Buskirk, Steven -- New York, N.Y. -- Science. 2004 Oct 8;306(5694):238-9.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Zoology and Physiology, University of Wyoming, Laramie, WY 82071, USA. marten@uwyo.edu〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15472068" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Body Constitution ; Body Weight ; *Ecosystem ; Energy Metabolism ; Environment ; *Homing Behavior ; *Mammals/anatomy & histology/metabolism ; Mathematics ; *Models, Biological ; Physical Phenomena ; Physics ; Population Density
    Print ISSN: 0036-8075
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    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 2004-01-01
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉New York, N.Y. -- Science. 2003 Dec 19;302(5653):2039-45.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/14700029" target="_blank"〉PubMed〈/a〉
    Keywords: Angiogenesis Inhibitors/therapeutic use ; Animals ; Astronomical Phenomena ; Astronomy ; Climate ; Germ Cells/cytology/physiology ; Humans ; Mental Disorders/etiology/genetics ; Neoplasms/blood supply/drug therapy ; Physical Phenomena ; Physics ; RNA, Antisense ; *Science/trends ; Stem Cells/physiology ; Y Chromosome/genetics
    Print ISSN: 0036-8075
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    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 31
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1996-02-09
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Taubes, G -- New York, N.Y. -- Science. 1996 Feb 9;271(5250):767-8.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/8628989" target="_blank"〉PubMed〈/a〉
    Keywords: Behavioral Sciences ; *Computer Communication Networks ; Costs and Cost Analysis ; Peer Review, Research ; *Periodicals as Topic/economics/standards ; Physical Phenomena ; Physics ; *Publishing/economics/standards
    Print ISSN: 0036-8075
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    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 32
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1981-03-13
    Description: Great advances have been made in fundamental scientific research in recent years. The new knowledge gathered, in addition to deepening our understanding of the physical universe, contributes a range of abilities and opportunities to society that would not otherwise be available. Much research that may be called applied because it addresses needs of society is quite fundamental in character, and support of such research at the National Science Foundation is to be handled in tandem by the research directorates. Other areas that require a refocusing of support are engineering science and education, at all levels, in science and engineering. Increasing our strength in these areas is essential to achieve our national economic, social, and political goals. Steps are being taken by the National Science Foundation to make its structure better able to deal with engineering and applied research and to provide greater mutual reinforcement between applied and basic research.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Slaughter, J B -- New York, N.Y. -- Science. 1981 Mar 13;211(4487):1131-6.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/7466384" target="_blank"〉PubMed〈/a〉
    Keywords: Cell Biology ; Chemical Phenomena ; Chemistry ; *Forecasting ; Geological Phenomena ; Geology ; *Government Agencies ; Molecular Biology ; Neurochemistry ; Physical Phenomena ; Physics ; Research Support as Topic ; United States
    Print ISSN: 0036-8075
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  • 33
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    Journal of High Resolution Chromatography 23 (2000), S. 511-514 
    ISSN: 0935-6304
    Keywords: CZE ; indirect UV detection ; metal ions ; ecological samples ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---No abstract
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  • 34
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    Journal of High Resolution Chromatography 23 (2000), S. 561-564 
    ISSN: 0935-6304
    Keywords: Retention factors ; Cinnamomi ramulus ; high-performance liquid chromatography ; capillary electrophoresis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---No abstract
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  • 35
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    Journal of High Resolution Chromatography 23 (2000), S. 590-594 
    ISSN: 0935-6304
    Keywords: Ion chromatography ; graphitic carbon stationary phases ; anions ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---Inorganic anions could be separated on porous graphitic carbon stationary phases in ion chromatography. Ion exchange between eluent anions and sample anions on the stationary phase was confirmed by the retention behavior and the possibility of indirect photometric detection. The elution order of anions was different from that observed for commercially available anion exchangers. Chloride, nitrate, and sulfate contained in tap water could be determined in 7 min.
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  • 36
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    Journal of High Resolution Chromatography 23 (2000), S. 603-608 
    ISSN: 0935-6304
    Keywords: Solvation parameter model ; ystem constants for poly(dimethyldiphenylsiloxane) HP-5 and poly(ethylene glycol) HP-INNOWax stationary phases ; temperature ; molecular interaction ; retention models ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---No abstract
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  • 37
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    Journal of High Resolution Chromatography 23 (2000), S. 656-658 
    ISSN: 0935-6304
    Keywords: Capillary electrophoresis (CE) ; laser induced fluorescence detection (LIFD) ; fluorescein isothiocyanate (FITC) ; inulin ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---No abstract
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  • 38
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    Journal of High Resolution Chromatography 23 (2000), S. 699-701 
    ISSN: 0935-6304
    Keywords: Phenol derivatives ; RP-HPLC separation ; short RP column ; gradient elution ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---No abstract
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  • 39
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    Journal of High Resolution Chromatography 23 (2000), S. 485-488 
    ISSN: 0935-6304
    Keywords: Pyrethroids ; solid-phase microextraction ; water analysis ; temperature ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---Synthetic pyrethroids are increasingly being used for insect control on field crops because of their advantageous environmental properties such as short field life, broad spectrum of insecticide activity, and relatively low mammalian toxicity. In the present work, experimental conditions were optimized for trace analysis of pyrethroids in water by using solid-phase microextraction followed by capillary gas chromatography. Effects of temperature, SPME-fiber diameter, and matrix were studied. SPME used off-line with a gas chromatograph electron-capture detection (GC-ECD) showed a linear response over a wide concentration range. Our results showed a strong temperature effect on pyrethroid extraction yield. The detection limit after 5 min of SPME-fiber exposure to the samples changed from 1 ppb (at 30°C) to 0.1 ppt (at 90°C), which is a 10000 increase in pyrethroid detection. The standard deviations of the analyte peak area ratios were typically in the range of 1-7% at 30°C and of 3 to 15% at 90°C. Best conditions for pyrethroids analysis were achieved using high temperature solution and a 100 μm polydimethylsiloxane fiber. No matrix (river water) influence was observed on detection of the investigated pyrethroids.
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  • 40
    ISSN: 0935-6304
    Keywords: Comprehensive two-dimensional GC ; time-of-flight ; oil analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---In this work a comprehensive two-dimensional system (GC×GC) was coupled to a time-of-flight mass spectrometer (TOF/MS) for the analysis of oil samples. Group-types like the alkanes and saturated cyclic compounds (naphthenes), which are present in oil, are shown separately by selecting their unique masses. On selecting appropriate ion fragments, this method also permits the determination of sulfur- and oxygen-containing species in oil. Former results obtained by FID detection could be confirmed. After proper selection of unique ions in GC×GC-TOF both selectivity and sensitivity increase.
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  • 41
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 42
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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  • 43
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    Journal of Chemometrics 9 (1995), S. 229-229 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 44
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    Journal of Chemometrics 9 (1995), S. 230-231 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 45
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    Journal of Chemometrics 9 (1995), S. 232-236 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 46
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    Journal of Chemometrics 9 (1995), S. 343-362 
    ISSN: 0886-9383
    Keywords: straight line calibration ; errors in both axes ; uncertainties ; linear regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Calibration is a fundamental step in the calculation of the unknown concentration of analyte in most analytical methods. It is known that for certain methodologies, if only the errors in the independent variable are taken into account, there may be considerable errors in the estimation of the value of the regression coefficients, the derived statistical parameters and in some cases the sought for response and concentration values. This paper reviews the calibration methods including some references to procedures for the detection of outliers and robust regression when there are errors in both axes. The advantages and limitations of the different approaches are discussed and a comparative study is made of the approaches of several techniques for which computer programmes have been developed based on the algorithms put forward by the different authors. Finally, some trends of future development in this field are envisaged.
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  • 47
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    Journal of Chemometrics 9 (1995), S. 363-372 
    ISSN: 0886-9383
    Keywords: PLS regression ; orthogonal expansion ; optimization ; Lagrange multipliers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple iteration algorithm that is faster and less memory-intensive than the NIPALS iteration algorithm for PLS regression is presented. The iteration algorithm is obtained by treating the orthogonal expansion or decomposition of a matrix X as an extremum problem subject to normalization and orthogonality constraint conditions and then solving the problem by use of the method of Lagrange multipliers. The main idea in this method is to find the transformation vector r. The latent variable t is expressed exactly as the linear combination of X-variables with the vector r so that the final regression coefficients can be conveniently provided. In the algorithm the recursion of the orthogonal projection is needed, which is derived by use of a matrix inverse formula. Algorithms are established from the equation for calculating the vector r that are suitable for dealing with three cases of large data sets. The first case is when the number of objects is very large, the number of variables is relatively small and the number of Y-variables is equal to or greater than the number of X-variables. The second case is when the number of objects is very large, the number of variables is relatively small and the number of X-variables is greater than the number of Y-variables. The last case is when the number of variables, either X- or Y-variables, or both, is very large and the number of objects is small.
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  • 48
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    Journal of Chemometrics 9 (1995), S. 431-432 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 49
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    Journal of Chemometrics 9 (1995), S. 451-457 
    ISSN: 0886-9383
    Keywords: non-linear regression ; optimization ; robust methods ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several robust regression methods, including a new proposal, are described and their properties discussed. Resistance to various types of outliers and non-normality is demonstrated. The techniques are applied to non-linear regression models from chemical kinetics and calibration. Optimization of the types of objective functions encountered when applying robust regression is considered.
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  • 50
    ISSN: 0886-9383
    Keywords: PLS ; kernel algorithm ; multivariate calibration ; EM algorithm ; cross-validation ; missing data ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This is Part II of a series concerning the PLS kernel algorithm for data sets with many variables and few objects. Here the issues of cross-validation and missing data are investigated. Both partial and full crossvalidation are evaluated in terms of predictive residuals and speed and are illustrated on real examples. Two related approaches to the solution of the missing data problem are presented. One is a full EM algorithm and the second a reduced EM algorithm which applies when the number of missing values is small. The two examples are multivariate calibration data sets. The first set consists of UV-visible data measured on mixtures of four metal ions. The second example consists of FT-IR measurements on mixtures consisting of four different organic substances.
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  • 51
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    Journal of Chemometrics 9 (1995), S. 439-439 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 52
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    Journal of Chemometrics 9 (1995) 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 53
    ISSN: 0886-9383
    Keywords: sequential response surface modelling ; Williamson ether synthesis ; SN2 ; optimization ; reaction kinetics ; reaction mechanism ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this work the utility of a new method for determining kinetic parameters by sequential response surface modelling, previously described (Part 1), is shown by applying it to an experimental study of a reaction with known kinetics. The nucleophilic substitution reaction between ethoxide and benzyl chloride, the Williamson ether synthesis, was selected as a model reaction. This reaction is known to proceed with second-order kinetics. The method gives access to estimates of initial reaction rate which can be further used to obtain estimates of activation energy and reaction order of reactants. The results obtained are in good agreement with the estimated values of these parameters obtained with conventional kinetic experiments.
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  • 54
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    Journal of Chemometrics 9 (1995), S. 483-487 
    ISSN: 0886-9383
    Keywords: fractional factorial design ; multiresponse ; PLS ; PCA ; reduced-rank regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper presents an interpretation of PLS applied to orthogonal explanatory variables. In particular, it is shown that in fractional factorial multiresponse experiments PLS2 gives identical results to ordinary least squares applied to principal components of the response variables. The general relationship is that the reduced-rank regression algorithm which first projects Y onto the X-space and then truncates this matrix by principal component analysis before performing ordinary least squares estimation gives the same predictor as PLS2 and SIMPLS if all the non-zero eigenvalues of XTX are identical.
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  • 55
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    Journal of Chemometrics 9 (1995), S. 471-481 
    ISSN: 0886-9383
    Keywords: batch prediction ; continuum regression ; multivariate calibration ; sequential prediction ; simultaneous prediction ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In analytical chemistry a single fitted calibration model is used repeatedly to predict the level of the analyte of interest for the specimens comprising the prediction set. Unlike the calibration (or training) set, which is often limited in size, the prediction set can be very large.In the case of multivariate calibration a number of methods such as PLS and PCR are commonly used to construct the calibration model. The set of instrumental measurements and the reference analyte level are available for each specimen in the calibration set. For specimens in the prediction set, only the instrumental measurements are available, since the problem is to predict the analyte level for these specimens. It is not widely recognized that predictions of the analyte levels for individual specimens can be improved by utilizing seemingly unrelated information from the instrumental measurements associated with the other members of the prediction set. In the case of PCR there exists a very straightforward procedure for doing this. A description of the various sources of prediction errors is provided to explain the ability of PCR to utilize this additional information. The use of PCR in this context is illustrated with both a synthetic and a real example.
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    Journal of Chemometrics 9 (1995), S. 531-531 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 58
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    Journal of Chemometrics 9 (1995), S. 509-520 
    ISSN: 0886-9383
    Keywords: canonical variates ; discriminant analysis ; partial least squares ; principal components ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new set of derived variables is proposed for exhibiting group separation in multivariate data on for preprocessing such data prior to discriminant analysis. The technique combines optimal features of canonical variate analysis and principal component analysis: the derived variables are linear combinations of the original variables that optimize the canonical variate criterion (ratio of between-group to within-group variance) but subject to the orthogonality constraints of principal components. In this formulation the canonical variates can be derived even when the within-group matrix is singular (i.e. when there are more variables than objects in the data matrix). A simple computational algorithm for extraction of these variables is proposed. The methods are illustrated on several data sets and compared with alternative techniques such as principal component analysis and partial least squares.
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  • 59
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    Journal of Chemometrics 9 (1995), S. 489-507 
    ISSN: 0886-9383
    Keywords: QSAR ; partial least squares ; robust regression ; CoMFA ; weighted regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A robust implementation of partial least squares (PLS) is developed in which the method of iteratively reweighted least squares is adapted for use with PLS. The result is a PLS algorithm which is robust to outliers and is easy to implement. Examples and case studies are presented, followed by two Monte Carlo studies designed to explore the behavior of the method.The paper begins with the motivation and intended applications for the procedure. A discussion is given of the method of interatively reweighted least squares (IRLS) for outlier detection. The procedure, given the name IRPLS, is then presented. Three case studies illustrate how the procedure works on various types of data and how it should be used. The first Monte Carlo study is designed to determine whether the IRPLS procedure correctly identifies multiple outliers in a wide variety of configurations. The second Monte Carlo study is designed to estimate the breakdown bound of the procedure.
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  • 60
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 61
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    Journal of Chemometrics 9 (1995), S. 309-322 
    ISSN: 0886-9383
    Keywords: simulated annealing ; messy genetic algorithms ; optimization of multimodal objective functions ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The method of simulated annealing is modified so that the concept of messy chromosomes is applied. Constituent genes of messy chromosomes are specified by their respective names (indices) and values (alleles) simultaneously. Unlike simple chromosomes (binary vectors), messy chromosomes may be either under- or overspecified with respect to the problem being solved. The messy simulated annealing algorithm is a very robust and efficient stochastic optimization method which is able to find correct minima of deceptive or highly multimodal objective functions. This is shown by way of a number of simulations.
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  • 62
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    Journal of Chemometrics 9 (1995), S. 323-326 
    ISSN: 0886-9383
    Keywords: partial least squares ; biased regression ; ordinary least squares ; minimum length least squares ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An algebraic proof is given that in partial least squares (PLS) regression the Euclidean length of the estimator is shrunk in comparison with the ordinary least squares estimator or with PLS estimators based on a larger number of dimensions.
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    Journal of Chemometrics 9 (1995), S. 329-330 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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  • 65
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    Journal of Chemometrics 9 (1995), S. 389-409 
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    Keywords: multivariate image analysis ; principal component analysis ; exploratory data analysis ; projection in multivariate space ; graphical visualization ; noise ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Multivariate image analysis (MIA) is a powerful tool for many image segmentation and classification problems, but the interpretation and understanding of the original and resulting multidimensional (multivariate) data are not always easy. A strategy for MIA has been proposed which describes its usage on multivariate images for segmentation tasks. MIA starts with principal component analysis (PCA) and then continues with interactive analysis of the output from PCA. In this paper a number of extensions to MIA are proposed. The extensions are the suggestion to incorporate preprocessing of the multivariate image in MIA, the suggestion to use synthetic multivariate image models which create a clear-cut situation, and new visualization tools which improve the interactivity and understanding of the results. Extended MIA is applied on synthetic multivariate image data simulating a possible application with large noise, positron emission tomography (PET). As a result of the interactive analysis, suggestions for preprocessing emerge. The developed methodology for handling the noise is then applied on real PET image data with good results.
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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  • 68
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    Journal of Chemometrics 9 (1995), S. 3-20 
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    Keywords: Deconvolution algorithms ; Instrumental analysis ; Spectrometry ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Deconvolution algorithms for measurand reconstruction are considered. Their metrological and numerical properties are briefly characterized. Six algorithms most frequently used for instrumental applications are selected for closer analysis. Their comparative study is based on the use of spectrometric-type synthetic data, calorimetric-type synthetic data and spectrometric real-world data. Conclusions concerning computational complexity and accuracy of the compared algorithms as well as their metrological applicability are drawn.
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    Journal of Chemometrics 9 (1995), S. 67-68 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. i 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 125-135 
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    Keywords: Procrustean analysis ; FT-IR spectroscopy ; NIR spectroscopy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Procrustean methods allow the fitting of a given matrix to another given matrix observed on the same objects. In the traditional approach orthogonal constraints are imposed upon the transformation matrix, whereas in the alternative approach Procrustean analysis may be performed without such constraints. The two methods (with and without constraints) were compared on data dealing with mid- and near-infrared spectra of oil. The aim was to reconstruct the mid-infrared spectral information using data from the near-infrared spectra. Unconstrained Procrustean analysis proved to be the more efficient for both the calibration and verification sets. Furthermore, the analysis of the transformation matrix between the two infrared ranges made it possible to indicate wavelengths and wave numbers corresponding to the same chemical groups.
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    Journal of Chemometrics 9 (1995), S. 139-141 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 1-2 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 137-138 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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  • 79
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    Journal of Chemometrics 9 (1995), S. 91-123 
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    Keywords: H-principle ; PCA ; PLS regression ; latent variable models ; quadratic models ; sensitivity analysis ; outlier tests ; prediction variances ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We present here an algorithmic approach to modelling data that includes principal component analysis (PCA) and partial least squares (PLS). In fact, the numerical algorithm presented can carry out PCA or PLS. The algorithm for linear analysis and extensions to non-linear analysis applies to both PCA and PLS. The algorithm allows for combination of PCA and PLS types of models and therefore extends modelling to new types of models that involve combination of regression models and ‘selection of variation’ models, which is the idea of PCA-type models. The fact that the algorithm carries out both PCA and PLS shows that PCA and PLS are based on the same theory. This theory is based on the H-principle of mathematical modelling. The algorithm allows tests for outliers, sensitivity analysis and tests of submodels. These aspects of the algorithm are treated in detail. We compute various measures of sizes, e.g. of components, of the covariance matrix, of its inverse, etc. that show how much the algorithm has selected at each step. The analysis is illustrated by data from practice.
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    Journal of Chemometrics 9 (1995), S. 69-89 
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    Keywords: chemometrics ; pattern recognition ; class modeling ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: Different estimators of the Mahalanobis distance (such as that based on the Defrise - Gussenhoven correction) are studied and compared with respect to the bias on the distance and the characteristics (sensitivity and specificity) of the class model.Results obtained using estimators with critical values from χ2-statistics are compared with those obtained using estimators with critical values from β-statistics (training set) and Hotelling statistics (evaluation set).Tables are reported for D-statistics (useful for simulating populations of two categories with selectable theoretical sensitivity and specificity) and for critical values of the Mahalanobis distance obtained from β-statistics.For objects of the training set the estimator of the Mahalanobis distance based on the estimate of the covariance matrix produces models with the optimum sensitivity. The same model has too low a sensitivity for objects of the model category in the evaluation set, but good specificity for objects of outer categories.The estimator with the Defrise-Gussenhoven correction produces enlarged models with too high a sensitivity for objects in the training set, good sensitivity for objects of the model category in the evaluation set and low specificity for objects of outer categories.
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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  • 82
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    Keywords: pattern recognition ; infrared spectra ; factor analysis ; maximum likelihood method ; entropy of information ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: The spectral region from 700 to 3600 cm-1 is subdivided into several wave number intervals. The peaks in each interval are summarized by means of three encoding algorithms. Using a factor model of kcommon factors, the total extractable variacnce (com) of a given set of intervals is calculated and correlated with the redundancy of information in all these intervals. The value of com is verified by analysis of the factor loadings aik (factor pattern). Finally, the information content of some chosen sets of intervals coded by the three selected feature algorithms will be correlated to the probability of information flow through a serial-parallel network. The encoding using only wave numbers was found to be the most effective.
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    Journal of Chemometrics 9 (1995), S. 59-66 
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    Keywords: Mathematical approximation ; Sigmoid curve ; Sensitometric curve ; Photographic material ; Non-linear regression ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: This paper studies the application possibilities of various mathematical analytical functions to models of approximation of sigmoid sensitometric curves of photographic materials. The newly developed functions have been tested along with approximation functions taken from the literature: the former fulfil the statistical criteria of fitting the regression and experimental curve in the best way. The model functions can be used not only for objective determination of sensitometric quantities but also for determination of the general sensitivity (speed) of photographic materials.
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    Journal of Chemometrics 9 (1995), S. 169-178 
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    Keywords: minimum volume ellipsoid (MVE) estimators ; robust distance method ; pattern recognition ; Hotelling's T2 statistics ; near-infrared spectra ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for pattern recognition analysis of near-infrared spectra has been developed using robust distances determined by minimum volume ellipsoid (MVE) estimators of multivariate location and scatter. Classical methods such as the Mahalanobis distance method often fail in the presence of a moderate number of outliers in a training data set, while robust distance methods can tolerate a considerably larger proportion of outliers in a training data set Outliers can be detected by their relatively large robust distances and can be excluded from a training set without a priori knowledge of the nature of the data set. In this paper the properties of a robust distance method are examined using near-infrared spectra of sulfamethoxazole and mixtures with its major degradation products, sulfanilic acid and sulfanilamide. The robust distance method successfully detected unacceptable samples (71.4%-89.3% (α = 0.05) or 78.6%-92.9% (α = 0.10)) even when they were inadvertently included in the training data set.
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    Journal of Chemometrics 9 (1995), S. 179-195 
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    Keywords: GRAM ; PARAFAC ; rank overlap ; second-order calibration ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: GRAM, a method for second-order calibration, has been introduced by Sanchez and Kowalski and later modified by Wilson, Sanchez and Kowalski. The methods are based on the claim that, in cases without measurement error they yield correct estimates for the concentration ratios and profiles of (rank-one) analytes present in sample and mixture. This claim has not been proven rigorously. In the present paper, rigorous proofs are given for situations where the claims are valid indeed. In addition, it is shown that PARAFAC, an alternative method for second-order calibration, can be used to obtain the same results. Next it is shown that the claims do not hold in cases with ‘rank overlap’ (partly overlapping profiles) and it is proven that a procedure by Wang et al. can still be used to assess some of the concentration ratios. A general framework is provided for a variety of second-order calibration problems and the extent to which quantitative and qualitative information can be expected is given.
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    Journal of Chemometrics 9 (1995), S. 223-225 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
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    Journal of Chemometrics 9 (1995), S. 197-209 
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    Keywords: proficiency test ; true value ; homogeneity robust statistic ; standard ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Profficiency tests raise two types of problems: (i) the homogeneity of a sample must be carefully checked before using it as a reference material; (ii) it is necessary to define a conventional reference value (RV) in order to rank participants. Since these topics are poorly addressed in the literature, a reference material was specially prepared in order to propose a procedure for verifying homogeneity and to establish whether the algorithms classically used to compute the conventional true value have an influence on the conclusion of the test.The homogeneity of the sample was not perfect and univariate and multivariate techniques were used to demonstrate some analytes can be suspected as heterogeneous. However, this was considered adequate for introducing the sample in a large proficiency test organized between four laboratory associations which regularly perform such tests. Altogether more than 3000 measurements were collected and eight algorithms were applied to compute the RV on 14 analytes. Thus is was possible to demonstrate that some of these algorithms are better adapted than others. It is also obvious that some analytes are better suited to proficiency testing.It can be concluded from this work that some effort towards standardization would be profitable to check homogeneity or to compute the RV, especially since the economic weight of proficiency testing is becoming even more important with the development of certification accreditation.
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    Journal of Chemometrics 9 (1995), S. 423-430 
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    Keywords: PLS ; neural network ; training ; interpretable ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This communication describes the combination of a feedforward neural network (NN) with one hidden neuron and partial least squares (PLS) regression. Through training of the neural network with an algorithm that is a combination of a modified simplex, PLS and certain numerical restrictions, one gains an NN solution that has several feasible properties: (i) as in PLS the solution is qualitatively interpretable; (ii) it works faster than or comparably with ordinary training algorithms for neural networks; (iii) it contains the linear solution as a limiting case. Another very important aspect of this training algorithm is the fact that outlier detection as in ordinary PLS is possible through loadings, scores and residuals. The algorithm is used on a simple non-linear problem concerning fluorescence spectra of white sugar solutions.
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    Journal of Chemometrics 9 (1995), S. 21-29 
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    Keywords: Near-infrared absorbance ; Partial least squares ; Principal component regression ; Root-mean-square error of prediction ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of principal component regression (PCR) as a multivariate calibration method has been discussed by a number of authors. In most situations principal components are included in the regression model in sequence based on the variances of the components, and the principal components with small variances are rarely used in regression. As pointed out by some authors, a low variance for a component does not necessarily imply that the corresponding component is unimportant, especially when prediction is of primary interest. In this paper we investigate a different version of PCR, correlation principal component regression (CPCR). In CPCR the importance of principal components in terms of predicting the response variable is used as a basis for the inclusion of principal components in the regression model. Two typical examples arising from calibrating near-infrared (NIR) instruments are discussed for the comparison of the two different versions of PCR along with partial least squares (PLS), a commonly used regression approach in NIR analysis. In both examples the three methods show similar optimal prediction ability, but CPCR performs better than standard PCR and PLS in terms of the number of components needed to achieve the optimal prediction ability. Similar results are also seen in other NIR examples.
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    Journal of Chemometrics 9 (1995), S. 31-58 
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    Keywords: Multivariate curve resolution ; Three-way data analysis ; Factor analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new multivariate curve resolution method is presented and tested with data of various levels of complexity. Rotational and intensity ambiguities and the effect of selectivity on resolution are the focus. Analysis of simulated data provides the general guidelines concerning the conditions for uniqueness of a solution for a given problem. Multivariate curve resolution is extended to the analysis of three-way data matrices. The particular case of three-way data where only one of the orders is common between slices is studied in some detail.
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    Journal of Chemometrics 9 (1995), S. 239-262 
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    Keywords: industrial experimentation ; parameter design ; quality by design ; robust design ; Taguchi method ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The aim of this paper is to present a simple structured review of the different approaches to robust process design to clarify their similarities and dissimilarities. It is primarily written for practitioners who wish to understand and compare the main ideas of each approach and to apply them to their work. Two examples are used to illustrate the different approaches and their corresponding data analysis strategies: the first one is a constructed example on a pigment kneading process and the second one is real example dealing with the validation of an HPLC method. A comparison of the different approaches is provided and some practical recommendations are formulated.
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    Keywords: multiway data ; standard addition method ; calibration ; matrix effects ; trilinear decomposition ; Chemistry ; Analytical Chemistry and Spectroscopy
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    Topics: Chemistry and Pharmacology
    Notes: Presented here is an algorithm for analysis of second order data by the method of standard additions. The method of standard additions is applicable when matrix effects make traditional calibration unreliable. The algorithm employs a generalized eigenproblem to mathematically separate the instrument response of the analyte from the instrument response of any interfering species. A scheme for determining the eigenvectors (and hence the concentration estimate) that uniquely correspond to the analyte of interest is given. These eigenvectors can readily be distinguished from any eigenvector that corresponds to the spectrum of the interferents or both the interferents and analyte. The stability of the estimated analyte concentration is verified by Monte Carlo simulations. The algorithm is applied to the analysis of trichloroethylene in samples that have matrix effects caused by an interaction with chloroform.
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    Journal of Chemometrics 9 (1995), S. 283-308 
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    Keywords: simulated annealing ; threshold acceptance ; wavelength selection ; selectivity ; optimization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Simulated annealing (SA) is a stochastic search method that has been applied to combinatorial search problems in chemometrics. Unlike strict iterative improvement methods, SA tolerates temporary moves to detrimental parameter configurations during an optimization. The method used by SA to decide whether or not to accept detrimental steps is a special case of a more general acceptance rule. The present work investigates the performance of various SA-type algorithms that differ only in the acceptance rule for detrimental steps when optimizing continuous or discrete problems. A method for step width modulation is introduced to overcome the poor ability of SA type algorithms to locate the exact extreme of a function. The studied search strategies are modified for the discrete problem of wavelength selection. In order to evaluate SA-type algorithms and their abilities to deal with the wavelength selection problem, two global measures of selectivity are used as criteria to determine the most suitable wavelength subset that maximizes selectivity for pure component ultraviolet-visible spectra.
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    Journal of Chemometrics 9 (1995), S. 327-328 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. ii 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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    Journal of Chemometrics 9 (1995), S. 331-342 
    ISSN: 0886-9383
    Keywords: partial least squares (PLS) ; variable selection ; IVS-PLS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: With the aim of developing PLS models with improved predictive properties, an interactive variable selection (IVS) approach for PLS regression was introduced in Part I of this series. IVS-PLS is based on a dimension-wise selective removal of single elements in the PLS weight vector w. IVS uses cross-validation (CV) as a guiding tool. The present paper illustrates the use of IVS-PLS on both simulated data and real examples from chemistry. In the first example, spectrophotometric data were simulated according to an experimental design. The objective was to see how IVS-PLS was influenced by different levels of noise in X and Y and by the number of predictor variables (K). The results of the modelling are shown as response surfaces. In addition, four real examples were modelled by the IVS-PLS technique. The real data sets were chosen to reflect different types of data from chemistry. For each example a comparison of ‘prediction error sum of squares’ (PRESS) between IVS-PLS and classical PLS is madeFor most of the examples containing many predictor variables IVS-PLS shows an improvement in predictive properties over classical PLS. Also, improvements for IVS-PLS2 (modelling of more than one y-variable) models were found. For data sets with a moderate number of variables the influence of the IVS method becomes less pronounced.
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    Journal of Chemometrics 9 (1995), S. 373-387 
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    Keywords: robust regression ; outliers ; spectroscopy ; calibration ; MASBR (maximum sum of binary coded residuals) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this paper, a novel robust regression method, the maximum sum of binary coded residuals (MASBR), is proposed. Instead of the sum of squared residuals used in least squares regression as the minimization criterion, MASBR regression maximizes the sum of binary coded residuals. MASBR regression is designed for cases where the conventional robust regression methods with breakdown points less than 50% fail. To circumvent the problem of being trapped in local optima, a stepwise-varying acceptable error limit (SVAEL) algorithm is proposed. Both numerical simulation and treatment of real analytical data demonstrate the feasibility of MASBR regression in conjunction with the SVAEL algorithm.
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    Journal of Chemometrics 9 (1995), S. 411-422 
    ISSN: 0886-9383
    Keywords: gasoline ; classification ; multiple regression ; non-correlated variables ; accuracy of measurements ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A procedure for the classification of motor gasolines by their trend to carburettor icing has been proposed. For this goal a set of regression models was employed. Motor gasoline classification was carried out in terms of the isopropyl equivalent using seven physicochemical properties.
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  • 99
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 226-228 
    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
    Location Call Number Expected Availability
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  • 100
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 211-221 
    ISSN: 0886-9383
    Keywords: diagnostics statistics ; QSAR ; MASCA ; principal component regression ; non-least squares regression ; types of multicollincarity ; flagged observations ; influential points ; high-leverage points ; outliers ; extra-carrier points ; random perturbation ; cluster correalation ; resampling ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The formal application of a Hansch analysis to a series of 3-quinuclidinyl benzylates (QNBs) led to a ‘statistically significant’ QSAR equation. In contrast, the application of the MASCA model has shown that the design matrix is unsuitable for each QSAR analysis: one sample member is an outlier but not a high-leverage or influential point; another one is an influential point, a high-leverage point and an extra-carrier point. The regressors of the design matrix are multicollinear without predictive model power. The result of such flagged observation and this type of multicollinearity is a multiple cluster correlation. The QNB series is a good example for ‘sampling artifacts’ where no practically important but artificial QSARs can be found.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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