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  • 1985-1989  (22.273)
  • 1945-1949  (440)
  • 1920-1924
  • Polymer and Materials Science  (16.877)
  • Analytical Chemistry and Spectroscopy  (5.836)
Materialart
Erscheinungszeitraum
Jahr
  • 101
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 4281-4289 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A study of the apparent reaction rate constants of phenylacetylene polymerized in CCl4 in the presence of light-activated W(CO)6 and of the molecular weight of the resulting polymer indicates that the propagating centers are conserved to high monomer conversions, though some chain transfer to monomer occurs, limiting molecular weights to about 100,000. Although solutions of the polymer are deep red in color, the molecular conformation is more coil-like than rod-like. The NMR spectra suggest that the steric purity of the polymer is limited, so that it can only be referred to as trans-rich polyphenylacetylene, confirming other results on tungsten-catalyzed polyphenylacetylene.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 102
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 4305-4318 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A series of 10 acetylene-terminated aromatic amide monomers was synthesized by the triethylamine-promoted reaction of bis[p-(m-chlorocarbonylphenoxy)phenyl] sulfone or bis[p-(m-chlorocarbonylphenoxyl)phenyl]ketone with o- or p-ethynyl- and o- or p-trimethylsilylethynylaniline. Yields were essentially quantitative. Structures were verified by infrared and nuclear magnetic resonance spectroscopy and mass spectral data. Thermal characteristics of the monomers were investigated by means of differential scanning calorimetry and thermogravimetric analysis. The initial glass transition temperatures were generally well below the onset of cure which occurred in the 160-225°C range for the terminal ethynyl monomers and in the 260-295°C range for their trimethylsilylethynyl analogs. Onset of decomposition in air for the resinified terminal ethynyl monomers took place in the 400-485°C range, while resins from the trimethylsilylethynyl monomers underwent breakdown at substantially lower temperatures.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 103
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 4257-4265 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Two-dimensional NMR spectra of commercially available poly(N-vinylcarabazole) are presented and analyzed. Complete assignments for the aromatic region of the carbon spectrum are made using the edited spectrum and literature references for model compounds. The proton spectrum is assigned from its correlations with the carbon spectrum and with a J-correlated two-dimensional spectrum. One of the protons (number 1) is shifted to rather unusual high fields by the stacked structure of the carbazole rings, independent on the polymer tacticity. From the aliphatic carbon spectrum a meso probability of 0.45 is estimated for the commercial polymer, and another J-correlated two-dimensional spectrum helps assigning the triad and tetrad splittings in the aliphatic proton spectrum.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 104
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 1883-1890 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Amphiphilic block copolymers, i.e., poly(methyl methacrylate)-b-poly(2-dimethylethylammoniumethyl methacrylate), were synthesized by the reaction between two prepolymers. Carboxyl-terminated poly(methyl methacrylate) and hydroxyl-terminated poly(2-dimethylaminoethyl methacrylate) were prepared by radical polymerization of the corresponding monomers in the presence of thioglycolic acid and 2-mercaptoethanol as a chain transfer agent, respectively. Two condensation methods, i.e., DCC and the acid chloride method, were used for the reactions of these prepolymers. The subsequent quarternization produced the amphiphilic block copolymers. Surface property of poly(methyl methacrylate) films containing this amphiphilic block copolymer was examined by measuring contact angles for water. The addition of only 0.5 wt% of the block copolymer was sufficient to make poly(methyl methacrylate) surfaces hydrophilic. The block copolymer formed a polymeric micelle in acetone-water mixed solvent.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 105
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 4297-4303 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A procedure for synthesizing an open-chain polyimide has been developed. O-Substituted hydroxylamines were found to behave as difunctional nucleophiles in acylation under appropriate conditions, and thus the reaction of equimolar amounts of benzyloxyamine and terephthaloyl chloride gave rise to the corresponding novel type of polyimide, an open-chain polyimide. The results of polymerization under various conditions indicated the reaction to proceed efficiently in N, N-dimethylacetamide in the presence of an acid acceptor system composed of double the molar quantity of triethylamine and the molar quantity of pyridine to give the polyimide with a high molecular weight. In contrast to the conventional polyimides having cyclic imide structures, the resulting open-chain polyimide exhibited remarkable solubility in common organic solvents and a low glass transition temperature.
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
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  • 106
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 4329-4339 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Cationic polyacrylamides (C-PAM) which contain both primary and quaternary amines were prepared according to the Hofmann reaction by adding choline chloride to a solution of polyacrylamide in water. The reaction was 90% complete after 60 min at 20°C. The degree of amination was over 70% and the proportion of primary and quaternary amines could be altered widely by controlling the relative concentrations of NaOH, NaOCl, and choline chloride.C-PAM was dansylated (fluorescently labeled) in a homogeneous system using aqueous dimethylformamide as solvent. The optimum excitation wavelength for dansylated C-PAM in water at room temperature (22 ± 1°C) was 333 nm and the corresponding emission wavelength 538 nm. The fluorescence intensity was almost constant at pH levels above 5, but decreased rapidly below pH 4 and was almost zero at pH 2.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
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  • 107
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 4365-4374 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Polyaniline-tetracyanoethylene (TCNE) complexes can be synthesized either from emeraldine base or emeraldine hydrochloride by a relatively simple method. The complexes demonstrate greater stability than the emeraldine hydrochloride at elevated temperatures and under high current densities. The electrical conductivity of the complexes synthesized from emeraldine base can be varied from 〈 10-6 to 0.2 S/cm by varying the amount of TCNE incorporated. The complexes synthesized from emeraldine hydrochloride are slightly more conductive than the starting emeraldine hydrochloride. In both types of complexes, it appears that electron transfer between the polyaniline and TCNE has occurred resulting in the formation of some positively charged polyaniline nitrogen and TCNE anions.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 108
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 1925-1933 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The copolymers of N-vinyl-2-pyrrolidone and 2-dimethylaminoethyl methacrylate, 2-diethylaminoethyl methacrylate, 2-dimethylaminoethyl acrylate, or 2-dimethylaminopropyl acrylamide have been prepared. Studies were made of the binding of a “binding probe,” methyl orange, by the copolymers in aqueous solution. The first binding constants accompanying the binding were evaluated. Furthermore, the intensity of fluorescence of a hydrophobic fluorescent probe, 2-p-toluidinylnaphthalene-6-sulfonate, in the presence of these polymers was investigated. The nature and phenomena of dye binding and hydrophobic fluorescent probe binding with the polymers are discussed.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 109
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 1915-1923 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The preparation of a monodisperse hydrophilic polyamide was achieved in the anionic polymerization of a bicyclic oxalactam, 8-oxa-6-azabicyclo[3.2.1]octan-7-one (abbreviated BOL) with the use of N-benzoyl BOL and potassium pyrrolidonate (2 and 0.5 mol % to BOL, respectively) in dimethyl sulfoxide at 25°C. The number-average molecular weight of the polyamide increased in direct proportion to the monomer conversion, and was consistent with the value calculated from the amounts of the consumed monomer and activator. The molecular weight distribution (MWD) of the polyamide obtained until the middle stage of polymerization (polymerization time, 〈 10 min; monomer conversion, 〈 60%) was found to be narrow (Mw/Mn = 1.1). The MWD was gradually broadened in the later stage of the polymerization, which may result from the redistribution of molecular weight of the resulting polyamide not only by the polymerization-depolymerization equilibrium, but also by transamidation between polymer chains.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 110
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 1935-1956 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Graft polymerization of acrylates and acrylamide complexes of Mn(II), Cr(III), Fe(III), Co(II), Ni(II), and Cu(II) from alcohol solutions onto a polyethylene powder preirradiated in air up to total doses of 10-300 kJ/kg was studied. Graft copolymers with a metal content of as high as 1.7 mass% were obtained. The addition of a σ- or a coordinate-bound metal atom to the monomer molecule (acrylic acid, acrylamide) was shown to decelerate the process of thermal homopolymerization by 4 to 8 times, significantly reduce the reaction order in respect with monomer concentration in solution, and in most cases produce no effect on the polymer chain termination mechanism. The grafting of metal-containing monomers was found not to alter the structure of the monomer unit, valent state, and coordination of the metal atom, either. The graft polymerization of the monomers from solution is distinguished by a weak effect of the radical reaction inhibitors. The effective activation energies for the grafting of the metal-containing monomers lie within 42-60 kJ/mol.
    Zusätzliches Material: 15 Ill.
    Materialart: Digitale Medien
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  • 111
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 1957-1965 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: 7,8-Dicyano-7,8-diphenylquinodimethane (DCDPQ) was prepared by oxidation of the dianion of α,α′-dicyano-α,α′-diphenylxylene. 1H-NMR of a solution of the purified compound showed that the cis and trans isomers were present in a 1:1 ratio. Following further spectroscopic and electronic characterization the polymerizability of the title compound was investigated. DCDPQ did not homopolymerize at 65°C in the presence of AIBN. DCDPQ copolymerized with p-methoxystyrene and p-aminostyrene in the presence of AIBN at 65°C. Characterization of the latter two copolymers indicated that they were nearly alternating. The copolymerization between DCDPQ and p-aminostyrene proceeded in the absence of AIBN.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 112
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2189-2201 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The preparation and properties of highly crystalline ionomers formed by the copolymerization of propylene and low levels of ethylcholoroaluminium 10-undecenoate have been investigated. Few of the variables studied had dramatic effects on the copolymerization. Thus, a five-fold increase in undecenoate concentration gave only about a 20% increase in acid incorporation into the copolymer. Increasing temperature resulted in increased acid content, but handling problems in a I gal stirred reactor limited polymerization of 80°C. Rates were lowered in the presence of complex, but the effect was minimized by hydrogen. Rheological measurements showed an increase in low shear melt viscosity of the pottasium salts by up two orders of magnitude relative to the acid from. Ionomers containing two or more carboxyl groups as their potassium salts, and having a broad molecular weight distribution, had an extended rubbery plateau range, covering most of the shear ranges of normal processing. The zero-shear activation energy for viscous flow was 42 kcal, comparable to ABS and polystyrene. These ionomers are promising candidates for thermoforming applications
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
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  • 113
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2357-2366 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: p-Divinylbenzene (DVB) 13C-labeled at the methine carbon of the vinyl group was copolymerized in suspension with styrene at 70, 70-95, and 135-155°C using 2,2′-azobisisobutyronitrile (AIBN) as the initiator. The number of unreacted vinyl groups in each copolymer was determined by 13C CP-MAS NMR analysis of solid samples, direct polarization 13C-NMR analysis of CDCl3-swollen gels, and bromination. Results from the three methods agree methods agree qualitatively. Even the 1% DVB-crosslinked networks contained 40% unreacted DVB-vinyl groups when prepared by high conversion polymerization at 70°C and 16% unreacted DVB-vinyl groups when polymerization was finished at 95°C. The analyses were also applied to some commercial crosslinked polystyrenes. Every sample examined contained pendent vinyl groups
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 114
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2483-2486 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 115
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2487-2487 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 116
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2457-2482 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A study of converting wood into thermoplastic materials was undertaken to develop a new technique in effective utilization of wood wastes. Thermoplasticizatoin of wood carried out by means benzylation. Various reaction parameters, such as alkalinity of reaction media, reaction temperature, and time were taken into account to produce benzylated wood with different degrees of substitution (based on weight gain) FTIR, DSC, DMTA, SEM and x-ray crystallography were used to characterize the chemical and mechanical properties of benzylated wood. Experimental data showed that preswelling and reaction temperature had critical effects on benzylation reaction. Lignin in wood appeared to inhibit benzylation but extractives had little effect. Different species showed some variation in reaction rates. The thermoplasticized wood exhibited good melting properties and were readily molded into bulk materials or extruded into films and sheets. A wide range of glass transition temperatures from 66 to 280°C for the benezylatedwoods was achieved, and they were larely dependent on the weight gain. The molded and extruded products exhibited acceptable mechanical strength for structural engineering applications. The property and structure relationship for the thermoplasticized wood were discussed
    Zusätzliches Material: 25 Ill.
    Materialart: Digitale Medien
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  • 117
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2491-2496 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: N-(Ethylene)phthalimidyl acrylate was synthesized starting from phthalimide or phthalic anhydride using two different routes. Free radical or anionic polymerization of the ester resulted in low-molecular-weight polymers.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 118
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2673-2683 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Poly(ether urethane)s as biomaterials display certain favorable mechanical and biocompatibility properties. Earlier studies suggest that improved blood compatibility might be attained by introducing hydrocarbon groups at the surface. We synthesized and characterized a series of polyurethanes in which a N-2,3-dihydroxypropyl-N′-octadecyl urea chain extender (ODCE) was incorporated into the poly(tetramethylene glycol) (PTMO)/4,4′-methylenebis(phenylene isocyanate) (MDI) system. Molecular weights of the polymers varied between 40,000 and 250,000. An electron spectroscopy for chemical analysis (ESCA) study of the ODCE polyurethane surface revealed a substantially enhanced hydrocarbon concentration compared to a control PTMO/MDI/ethylene diamine (ED) polyurethane surface. Also, bulk composition analyses and ESCA data of the ODCE polymers indicated that the percentage of carbon was higher in the surface region than in the bulk. Thus, the ODCE polymer showed a marked increase in hard-segment concentration in the surface region compared to the bulk region and to the ED polymer.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 119
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2749-2760 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A side reaction was found in the reaction of a 2-oxazoline compound with a carboxylic acid. It is an oxazoline ring opening addition to an amide group formed by the main reaction. In addition, certain phosphites were found to act as catalyst for the side reaction. The rate constants of the main and side reactions in the system of 2-phenyl-2-oxazoline and n-octanoic acid were obtained through simulation of the reactions on an analog computer. The side reaction makes it impossible for a very high molecular weight polymer to form in the reaction of a bis-2-oxazoline with a dicarboxylic acid, but makes it possible for a new crosslinked polymer to form when excess bis-2-oxazoline and a dicarboxylic acid are heated in the presence of a certain phosphite.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 120
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2723-2748 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The isomerization, polymerization, and degradation aspects of endo-N-phenylnadimide and endo-N-isobutylnadimide (NPNI-N and NIBNI-N) were investigated using infrared analysis (IR), differential thermal analysis (DTA), gel permeation chromatography (GPC), thermogravimetric analysis (TG), and capillary gas chromatography-mass spectroscopic (GC-MS) techniques. Although the endotherm related to the retro-Diels-Alder reaction is not registered in the DTA thermographs, on-line mass spectrometric studies revealed the occurrence of this process. The formation of the Diels-Alder adduct of cyclopentadiene with N-isobutylnadimide (NIBNI) during the polymerization of NIBNI-N is proved. GPC studies on NPNI-N and NIBNI-N cured at 300°C for 3.0 h showed the average degree of polymerization to be three to four. The polymers obtained by curing NPNI-N and NIBNI-N at 300°C for 3.0 h showed 109.8 kJ/mol as the activation energy for degradation. The dynamic and isothermal pyrolysis studies clearly indicated the presence of intact norbornyl units in the polymer, and the breakage of —CH2— bridges in the strained norbornyl structural elements was found to be the point of aromatization during degradation.
    Zusätzliches Material: 11 Ill.
    Materialart: Digitale Medien
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  • 121
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2805-2809 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
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  • 122
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2839-2848 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A series of novel ABA block copolymers were synthesized containing a rigid-rod (B) block for reinforcement and a flexible coil (A) block as the matrix. Poly[(benzo[1, 2d: 4, 5d′]bisthiazole-2,6-diyl)-1,4-phenylene] (PBT) was the rigid-rod (B) block utilized in this study and was polymerized in such a way as to provide carboxylic acid end-groups. The carboxy-terminated PBT was copolymerized with the AB monomers, 3,4-diaminobenzoic acid and 4-amino-3-mercaptobenzoic acid, which generates a benzimidazole or benzthiazole (A) block, as well as grafts the blocks together. Composition of the blocks could be varied by the weight of AB monomer used in the copolymerizations. Solution behavior of the copolymers in methanesulfonic acid was determined, and fibers were obtained by wet spinning techniques. The block copolymers exhibited typical tenacities of 200 ksi, 16 Msi modulus, and an elongation to break of 1.4%. Critical concentration values for fabrication increased approximately 3% over mechanical mixtures of the same heterocyclic components.
    Zusätzliches Material: 6 Tab.
    Materialart: Digitale Medien
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  • 123
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2963-2994 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Binding of a noble metal salt, e.g., PdCl42- to a functional ligand on a polymer surface, e.g., amine, quaternary ammonium, sulphonic acid, followed by reduction to zerovalent state and subsequent reductive deposition of transition metal ions, such as copper, nickel, and cobalt, provides a sequence of events leading to controlled zerovalent metal polymer composites. Metallization of submicron and larger beads are described. Large amounts of metal can be incorporated. The metallized beads retain the shape of the starting beads, even at high bonding of metal. They adapt the properties of the metal, e.g., magnetic properties. The submicron particles are sensitive to hydrolysis. Multicomponent systems, such as multimetallic beads, are provided by additive codeposition of metal ions, or by codeposition of metal and dye. Direct deposition of metal to preimmobilized dye ligands is also possible, leading to magenta, cyan, or yellow metallic beads, with no adverse influence on the magnetic properties. Further deposition of noble metals by subtractive deposition on active metal surfaces is also described. Submicron latices can be immobilized by coating on polyester-based films, e.g., KODAK ESTAR base, and then activated with palladium and metallized to form highly conductive film surfaces.
    Zusätzliches Material: 15 Ill.
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  • 124
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 2995-3014 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Metallization of water-soluble polymers incorporating metal-binding ligand is achieved by binding palladium ions at substoichiometric quantities, followed by reduction to polymer-zero-valent palladium complex and deposition of transition metal ions by electroless plating solutions. The polymers studied include poly[N,N,N-trimethyl-N-(m- and p-vinylbenzyl)ammonium chloride], poly-L-glutamic acid, poly-L-lysine, and a copolymer of 2-phenylhydroquinone-2-amino-phthalic acid. Noble metal polyelectrolyte solutions were directly reduced with dimethylamineborane to stable microdispersions. The reactive nickel, cobalt and copper microdispersions were coated on KODAK ESTAR filmbase. Scanning electron microscopy (SEM), ESCA, and IR were used for material characterization. Conductivity and magnetic properties were also measured. Hydrophobic materials such as graphite and fluorinated graphite were metallized in organic solvents using hydrophobic trioctylammonium-tetrachloropalladate as the activating noble metal complex. The metallized conductive graphites were evaluated for their electrochemical properties.
    Zusätzliches Material: 9 Ill.
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  • 125
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    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 3043-3051 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Two polymer fractions, respectively with 28-38% and 6-9% sulphonated (—SO3H) phenylene rings, may be isolated in the solid-liquid reaction between p-polyphenylene sulfide and SO3 in refluxing dichloroethane-liquid SO2. The products relative yield depends on the experimental conditions of the reaction. No solvent has been found for these polymers.The reaction of the sulphonated polymers with SOCl2 leads to formation of higher substitution products containing both and functional groups. The polymers in chlorophenyl phenylsulphonylchloride form are soluble in excess SOCl2 and/or CHCl3, depending upon the concentration of ring chlorine.The mechanism of sulphonation in the heterogeneous medium and the presence of cross-links in the reaction products are discussed.
    Zusätzliches Material: 1 Ill.
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  • 126
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    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 3113-3149 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The spontaneous polymer formed from 3-hydroxyoxetane (HO), as first reported by Wojtowicz and Polak, is linear, low molecular weight, water-soluble, atactic, poly(3-hydroxyoxetane) (PHO) of high crystallinity with —OCH2CH(OH)CH2OH end units. The highly crystalline nature of this atactic polymer may be related to the crystalline nature of atactic poly(vinyl alcohol) since PHO can be considered a copolymer of vinyl alcohol and formaldehyde. Spontaneous PHO apparently is formed in a cationic polymerization by the carboxylic acids produced by the air oxidation of HO on standing at room temperature for several months. The polymerization can be duplicated by the addition of 2% hydroxyacetic acid to HO. The rate of this unusual cationic polymerization increases greatly with acid strength, e.g., trifluoromethanesulfonic acid reacts explosively with pure HO. A mechanism is proposed for this cationic polymerization. High molecular weight, water-soluble, linear atactic, and highly crystalline PHO (mp = 155°C) was made by polymerizing the trimethylsilyl ether of HO with the i-Bu3Al-0.7 H2O cationic catalyst followed by hydrolysis. Two 1H-NMR methods for measuring the tacticity of PHO were developed based on finding two different types of methylene units at 400 MHz with the methine protons decoupled. Also, an 1H-NMR method was developed for measuring branching in HO polymers. High molecular weight, linear PHO with enhanced isotacticity (80%) has been obtained in low yield as a water-insoluble fraction with Tm = 223°C. The low molecular weight PHO prepared previously by the base-catalyzed, rearrangement polymerization of glycidol is highly branched.
    Zusätzliches Material: 16 Ill.
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  • 127
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 3173-3183 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The thermal degradation of a series of copolymers of vinyl acetate and methyl acrylate and the two homopolymers poly(vinyl acetate) and poly(methyl acrylate) obtained using Ce(IV) as initiator has been investigated using differential thermal analysis (DTA) and thermogravimetry (TGA) in dynamic nitrogen. The kinetic parameters E, n, and A have been obtained following several methods of thermogravimetric analyses. The stability increases as the methyl acrylate content in the copolymer composition increases. The incorporation of 5 mol % of vinyl acetate in the copolymer produces a marked decrease in stability compared to the homopolymer poly(methyl acrylate). There is evidence for an intramolecular lactonization process in vinyl acetate - methyl acrylate copolymers.
    Zusätzliches Material: 5 Ill.
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  • 128
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 3227-3236 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: In the copolymerization of α-methylstyrene (α-MeSt) and N-phenylmaleimide (NPMI), the resulting copolymers were found to have a high alternating structure regardless of the ratio of comonomers in the feed. The monomer reactivity ratios were r1 = 0.21 (NPMI) and r2 = 0.03 (α-MeSt) (Kelen-Tüdös method), the equilibrium constant of CT complex K was 0.02 L mol-1, and the energy of activation EA was 73 kJ mol-1. From the equation Rp = Rp(f) + Rp(CT) proposed by Shirota and coworkers, Rp(f) and Rp(CT) were calculated, and it was found that in toluene the copolymerization proceeds predominantly by the addition of free monomers. Copolymers prepared at an equimolar ratio of comonomers in the feed have a glass transition temperature Tg of 539 K (DSC method).
    Zusätzliches Material: 10 Ill.
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  • 129
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 3251-3261 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A wide range of functional diblock copolymers containing both functional polymer and hydrocarbon polymer, have been prepared by the combination of anionic polymerization and borane chemistry. The distinctive hydroboration reactivity between various polydienes enables us to selectively functionalize one polydiene segment in diblock copolymers which contain two different polydiene segments. In turn, the hydroborated polymers are valuable intermediate compounds which can be converted to a whole family of functional polymers with a variety of other functionalities under mild reaction conditions. The hydroxylated diblock copolymer is used as an example to demonstrate the chemistry. The two-phase nature of these copolymers is also shown by the observation of two distinctive glass transition temperatures associated with the individual polymer segments.
    Zusätzliches Material: 6 Ill.
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  • 130
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 3263-3269 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Eight new diisocyanate monomers containing s-triazine ring have been prepared from the parent diacids via the Curtius rearrangement of the corresponding diacyl azides. The parent diacids were synthesised by the reaction of p- and m-hydroxybenzoic acid with 6-methoxy-2,4-dichloro-s-triazine, 6-phenoxy-2,4-dichloro-s-triazine, 6-phenyl-2,4-dichloro-s-triazine, and 2-diphenylamino-4,6-dichloro-s-triazine respectively. Polyurethanes have been synthesised by solution polymerization of these diisocyanates with ethylene glycol in N,N-dimethylacetamide (DMAC). The resulting polymers were characterized by IR spectroscopy, viscosity measurement, solubility tests, and softening points.
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  • 131
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 3271-3284 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Enzyme-catalyzed preparation of polymers offers several potentially valuable advantages over the usual polymerization procedures. (1) Such polymerizations may allow the polymer to retain functionality that would be destroyed under normal polymerization conditions. (2) The selectivity provided by enzyme catalysts may permit polymers, including optically active polymers, to be prepared that are either not accessible or accessible only with difficulty by other methods. (3) The characteristics of the enzyme and the mild polymerization conditions may permit formation of polymers having highly regular sizes and backbone structures. This report describes the first successful use of an enzyme-catalyzed polycondensation to prepare a chiral (AA-BB)x polyesters of more than a few repeat units. Polymerization of bis(2,2,2-trichloroethyl) alkanedioates (BB) with diols (AA) using the enzyme porcine pancreatic lipase (PPL) as a catalyst is detailed. The polycondensations were carried out at ambient temperature in anhydrous, low polarity organic solvents such as ether, THF, and methylene chloride. End group analysis by NMR provided Mn values of 1300-8200 daltons while GPC provided Mw values of 2800-14900 daltons for the polymers. Based on proton NMR spectra obtained during the polymerization, relatively rapid formation of an AA-BB “dimer” and an AA-BB-AA “trimer,” slower formation of a BB-AA-BB “trimer,” and subsequent condensation of these to give higher polymers are suggested to be components of the polymerization mechanism.
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  • 132
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 3285-3302 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Chemiluminescence has been used to study the thermooxidation of poly(phenylene sulfide) film at 85-110°C in oxygen. To identify reaction products, the degraded surfaces were immediately analyzed by x-ray photoelectron spectroscopy, then exposed to light and reanalyzed. In the proposed reaction sequence, thiyl radicals generated by oxidation of thiol end groups undergo chain transfer with polymer and bimolecular termination giving thiones, emitters that account for part of the chemiluminescence spectrum. Reaction is extensive at the surface, and subsequent exposure of the thermooxidized surface to light results in considerable loss of sulfur as well as carbon. The role of the thione products in subsequent degradation and chemiluminescence is discussed.
    Zusätzliches Material: 6 Ill.
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  • 133
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 3303-3314 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Ethyl 2-(vinyloxy)ethoxyacetate (4; CH2=CH—OCH2CH2OCH2—COOC2H5), a vinyl ether having both carboxylic acid ester and oxyethylene unit in its pendant, afforded well-defined living polymers when polymerized by the hydrogen iodide/iodine (HI/I2) initiating system in toluene at -40°C. The polymers possessed a narrow molecular weight distribution (Mw/Mn ≤ 1.15), and their molecular weight (Mn) increased proportionally to monomer conversion or the molar ratio of the monomer to hydrogen iodide. The polymer molecular weight also increased upon addition of a fresh feed of the monomer to a completely polymerized reaction mixture. Polymers of high molecular weights (Mn 〉 5 × 105) and broad molecular weight distributions were obtained by BF3OEt2 in toluene at -40°C. Polymerization rate of 4 with HI/I2 is ca. 100 times greater than that of the corresponding alkyl vinyl ether, and thus 4 was found to be one of the most reactive vinyl ethers thus far studied. Alkaline hydrolysis of the pendant ester groups of the polymers gave a vinyl ether-based polymeric carboxylic acid 6 with a narrow molecular weight distribution.
    Zusätzliches Material: 6 Ill.
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  • 134
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 27 (1989), S. 3315-3325 
    ISSN: 0887-624X
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A nonaqueous potentiometric direct titration method was used to determine the composition diagrams for the copolymerization of maleic anhydride with styrene and with vinyl acetate in methyl ethyl ketone at 50°C. The data were analyzed using nonlinear least-squares minimization routines to fit composition equations for the terminal, penultimate, and complex models directly. The applicability of each model to both systems were evaluated statistically. The penultimate model was found to best describe both systems, although in the case of the maleic anhydride/vinyl acetate system this was only a small improvement over the terminal model. Although significant comonomer complexation occurs in both systems, the complex model did not provide statistically significant improvement in fit to the data compared with the terminal model.
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  • 135
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 83-83 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
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  • 136
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 102-102 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
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  • 137
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 111-111 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
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  • 138
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 119-121 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 141-141 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
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  • 140
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 144-145 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
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  • 141
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 25-32 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 2 Ill.
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  • 142
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 59-63 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 3 Tab.
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 115-117 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 1 Ill.
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  • 144
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 127-131 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 2 Ill.
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  • 145
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 142-143 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
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  • 146
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 229-234 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 1 Ill.
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  • 147
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 201-208 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 5 Ill.
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  • 148
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 209-213 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 1 Ill.
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  • 149
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    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 235-237 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 1 Tab.
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    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 321-324 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 2 Ill.
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  • 151
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  • 152
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 2 Ill.
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  • 153
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 381-384 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 3 Tab.
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  • 154
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 385-392 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 4 Ill.
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  • 155
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 393-397 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 2 Ill.
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  • 156
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    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 399-402 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 157
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    Digitale Medien
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 407-407 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 158
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 27 (1989), S. 405-406 
    ISSN: 0887-6258
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 159
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. i 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 160
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989) 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 161
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 1-1 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 162
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 3-20 
    ISSN: 0886-9383
    Schlagwort(e): Algorithm ; Computer program ; Data modeling ; Latent variables ; Multiblock ; Multivariate ; PLS ; Process model ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The details of a general multiblock partial least squares (PLS) algorithm based on one originally presented by Wold et al. have been developed and are completely presented. The algorithm can handle most types of relationships between the blocks and constitutes a significant advancement in the modeling of complex chemical systems. The algorithm has been programmed in FORTRAN and has been tested on two simulated multiblock problems, a three-block and a five-block problem. The algorithm combines the score vectors for all blocks predicting a particular block into a new block. This new block is used to predict the predicted block in a manner analogous to the two-block PLS. In a similar manner if one block predicts more than one other block, the score vectors of all predicted blocks are combined to form a new block, which is then predicted by the predictor block as in the two-block PLS. Blocks that both predict and are predicted are treated in such a way that both of these roles can be taken into account when calculating interblock relationships. The results of numerical simulations indicate that the computer program is operating properly and that the multiblock PLS produces meaningful and consistent results.
    Zusätzliches Material: 9 Tab.
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  • 163
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 21-32 
    ISSN: 0886-9383
    Schlagwort(e): Kalman filter ; Multicomponent analysis ; Fluorescence spectral shifts ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The effect of peak shifts on the performance of a Kalman filter multicomponent analysis algorithm has been investigated. A series of Gaussian test systems were employed to characterize the concentration estimation errors and the morphology of the on-line residuals (the innovations sequence). Both forward and reverse filters were used in the generation of the innovations sequences. It was found that the difference between the forward and reverse innovations sequences gave an accurate indication of the direction and magnitude of the peak shift. A series of overlapped two-component systems were also investigated. Again, a correlation between the difference innovations and the degree of the response shift was observed. The behavior of the Kalman filter in fitting the shifted fluorescence emission spectrum of benzo[a]pyrene was also examined. The response for benzo[a]pyrene in cyclohexane solution was compared to that obtained on the surface surface of a reversed phase thin layer chromatography plate. A red shift of 4 nm was detected for the surface spectrum by observing the difference innovations sequence. This approach holds promise for correction of response shifts in multicomponent systems.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 164
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 33-48 
    ISSN: 0886-9383
    Schlagwort(e): Higher-order data arrays ; Dimensionality ; Data modelling ; Classification ; Discrimination ; Correlation ; Regression ; Systematics of data analysis ; Opportunities for future developments ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A scaffold for detailed understanding of the concept ‘dimensionality’ in data analysis is furnished by a systematic classification of higher-order data array configurations. Three major types of problem formulation in multivariate data analysis can be characterized for relevant data classes: 1data description (intra-class data structure modelling of inter-object and inter-variable relationships)2classification (inter-class discrimination)3correlation, regression (inter-variable relationships).The relationship between these three categories of data analytical problem formulation and the fundamental data array classification is exposed. These relations are augmented to include the general case of data arrays of order R, and R-way data analysis with the use of bilinear projections is presented. Based upon this, some possible directions for the future development of data analysis may be imagined.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
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  • 165
    ISSN: 0886-9383
    Schlagwort(e): Principal component analysis ; Factor analysis ; Singular value decomposition ; Eigenvalue analysis ; Multivariate analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Fisher variance ratio tests are developed for determining (1) the number of statistically significant abstract factors responsible for a data matrix and (2) the significance of target vectors projected into the abstract factor space. F-tests, developed from the viewpoint of vector distributions, are applied to various data sets taken from the chemical literature.
    Zusätzliches Material: 3 Tab.
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  • 166
    ISSN: 0886-9383
    Schlagwort(e): Fuzzy set theory ; Classification ; Data reduction ; Historical laboratory data ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A computer program (FEA) is presented for processing historical laboratory data. It performs on a list of sample entries stored in a laboratory information management system. Using an algorithm which is based on fuzzy set theory, FEA classifies the entries into a limited number of clusters called sample types. The classification is fully user-defined. The program transforms the historical data into a representation which is more suitable for studying the performance of the laboratory or which can be used as preparation for a simulation project.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
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  • 167
    ISSN: 0886-9383
    Schlagwort(e): Parameter estimation ; Cyclic voltammetry ; Quasi-reversible electron transfer reactions ; Cerium (IV) bis(octaethylporphyrinate) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Values of the peak potential, the peak current function and the peak potential difference are extracted from simulated cyclic voltammograms of a quasi-reversible electron transfer reaction. Variations of the feature values are described by empirical functions of the model parameters α (transfer coefficient) and ψ′ (dimensionless form of the heterogeneous electron transfer rate constant ks) using multiple linear regression. These functions are used to determine the system parameters α and ks from test data sets of feature values. The predictive power of the features is discussed. It is shown that several features can be used simultaneously in the analysis. Also, α, ks, the formal potential E0 and the diffusion coefficient D can be estimated simultaneously. Experimental data from the metal-centered one-electron reduction of cerium (IV) bis(octaethylporphyrinate), Ce(OEP)2, are analyzed using the technique, and values of the system parameters for this electrochemical reaction are determined.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 168
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 97-98 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 169
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 98-99 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 170
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 171
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 100-100 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 172
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989) 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 173
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. i 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 174
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 329-342 
    ISSN: 0886-9383
    Schlagwort(e): Calibration ; Robust regression ; Iteratively reweighted least squares ; M-estimator ; Monte Carlo simulations ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: By means of Monte Carlo simulations a comparison has been made between ordinary least squares regression and robust regression. The robust regression procedure is based on the Huber estimate and is computed by means of the iteratively reweighted least squares algorithm. The performance of both procedures has been evaluated for estimation of the parameters of a calibration function and for determination of the concentration of unknown samples. The influence of the distributional characteristics skewness and kurtosis has been studied, and the number of measurements used for constructing the calibration curve has also been taken into account. Under certain conditions robust regression offers an advantage over least squares regression.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 175
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 343-357 
    ISSN: 0886-9383
    Schlagwort(e): Principal components regression ; Factorial design ; Hypothesis testing ; Assay validation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A validation protocol for multicomponent spectroscopic assays based on principal components regression is described. Factorial design and hypothesis tests are used to establish the linearity and absence of interaction between components in the regression model. Testing considers multiple response variables simultaneously so that correlation between residuals is properly treated. Assay reproducibility and sensitivity to related substances are evaluated.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 176
    ISSN: 0886-9383
    Schlagwort(e): Abstract factor analysis ; Target transformation factor analysis ; Signal-to-noise ratios ; Canonical variates analysis ; 13C NMR spectroscopy ; Mixture constituent identification and estimation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The theory of experimental error in analysis of mixture experiments by abstract factor analysis or target transformation factor analysis is considered. The theoretical implications of using signal-to-noise ratios (as weights) or canonical variates analysis to reduce the level of imbedded error in the factor model are examined. The approach is illustrated by application to 13C NMR spectra of lubricant basestock mixtures.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 177
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 375-395 
    ISSN: 0886-9383
    Schlagwort(e): Non-parametric method ; Pattern recognition ; Classification ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A non-parametric method for supervised pattern recognition is presented. The method is of the class modelling type, meaning that a classification rule is developed for each class, using the dissimilarities between the objects of the class. The dissimilarities between the objects within a class are related to the distances between all pairs of training objects. As distance metric, a measure is proposed that takes the correlation between the interval-scale variables into account, and that moreover can be used for mixed types of variables. The classification rule is based on the construction of a boundary in the measurement space. For the determination of the class boundary, several strategies are proposed and compared.The performance of the technique is evaluated on the basis of several data sets. Comparison with the class modelling technique UNEQ shows its usefulness for practical application.
    Zusätzliches Material: 4 Ill.
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  • 178
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 409-418 
    ISSN: 0886-9383
    Schlagwort(e): Multivariate calibration ; Singular value decomposition ; Regression diagnostics ; Collinearity ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Care is required for multicomponent analysis if misleading results are to be avoided. The problem of ill-conditioned calibration matrices is of primary concern. This type of numerical instability is represented as spectral overlap of calibration spectra. Depending on the degree of spectral overlap, the sample concentration estimates can be severely affected. A practical statistical procedure is discussed which tests for the presence of spectral overlap among the pure-component spectra and simultaneously assesses the degree that concentration estimates may be degraded. Guidelines are developed to ascertain how much departure from spectral orthogonality is acceptable.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 179
    ISSN: 0886-9383
    Schlagwort(e): NIR reflectance ; Multivariate analysis ; Principal component analysis ; Stepwise multiple linear regression ; Silage quality ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Calibrations to predict crude protein (CP) and in vitro dry matter digestibility (IVDMD) in dried grass silage from reflectance data collected at 19 wavelengths on an InfraAlyzer 400R have been developed using stepwise multiple linear (SML) and principal component (PC) regression techniques. A direct comparison of the efficacy of each multivariate technique in this applications has been possible by using identical calibration development and evaluation sample sets. The effect of two data transformation steps prior to PC regression was also investigated. PC regression of raw reflectance data yielded no significant improvement in the standard errors of prediction (SEP) for CP and IVDMD over those obtained by SMLR, viz. 0·61 vs 0·63 and 2·9 vs 3·0 respectively. Computation time for development and evaluation of the PC regression equation was less than for selection of the best SMLR equation, and PCR equations may be more robust. Data transformation to reduce granularity effects prior to PCR did not produce any improvement in predictive accuracy for either IVDMD or CP.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 180
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 419-429 
    ISSN: 0886-9383
    Schlagwort(e): Image analysis ; Chemical imaging ; Multivariate image analysis ; Image analysis for non-imaging techniques ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Images can contain chemical information and many chemical methods can generate image data. For an efficient extraction of chemical data from images, data analysis techniques are necessary. It is a great advantage to be able to work on multivariate images. Many imaging techniques allow the extraction of chemical information. Inorganic analytical chemistry seems to have the longest tradition here, but organic chemistry and biochemistry may soon be catching up. Also large data arrays from non-imaging techniques can be combined with image analysis in a useful way, provided certain conditions are fulfilled.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 181
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 431-441 
    ISSN: 0886-9383
    Schlagwort(e): Resolution of mixtures ; Excitation-emission matrices ; Eigenanalysis ; Wavelength component vectorgram ; Total luminescence spectroscopy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: We consider the problem of resolving the total luminescence spectra of two-component mixtures. Non-negativity of the constituent spectra is commonly used as a criterion to accomplish this resolution, but its application seldom leads to unique answers. Sometimes, the condition must be relaxed because no solution satisfying non-negativity exists. In these cases judgments must be made concerning which parts of the spectra will be allowed to go negative and by how much.The wavelength component vectorgramn (WCV) is presented here as a tool for assisting the experimenter in making these judgments. Even when non-negative resolutions exist, it may happen that resolutions with slight negative elements will more closely match the spectra of the pure constituents. The WCV can also be used as a tool for detecting these cases. The methodology is illustrated with real data from a two-component mixture.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 182
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 443-449 
    ISSN: 0886-9383
    Schlagwort(e): Multicomponent analysis ; Iterative refinement ; Simplex method ; Condition numbers ; Linear programming ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Concentration estimates of components present in a sample mixture can be obtained using matrix mathematics. In the past, the condition number of the calibration matrix has been used to give an amplification factor by which uncertainties in data can work through to errors in the concentration estimates. This paper explores an additional interpretation of condition numbers with regards to significant figures and rounding errors. A procedure is suggested which will always give the most accurate concentration estimates provided the calibration matrix is not too ill-conditioned. Condition numbers have also been used by analytical chemists to discuss the error bounds for concentration estimates. Unfortunately, only one representative error bound can be approximated for all the components. This paper will show how to compute bounds for individual concentration estimates obtained as solutions to a system of m equations and n unknowns. The procedure is appropriate when calibration data and sample responses are inaccurate.
    Zusätzliches Material: 1 Ill.
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  • 183
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 451-452 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 184
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 453-453 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 185
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 453-453 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 186
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989) 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 187
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. i 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 188
    ISSN: 0886-9383
    Schlagwort(e): Evolving factor analysis ; Flow injection analysis ; Self-modeling curve resolution ; Bismuth chloride complexes ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Evolving factor analysis is used to estimate the concentration profiles and spectra of Bi3+ and the bismuth chloride complexes BiC12+ through BiCl63- formed by injection of bismuth perchlorate into a flowing stream of 1·0 mol 1-1 HCl. The estimated spectra compare favorably with previously published spectra of the complexes.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 189
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 463-475 
    ISSN: 0886-9383
    Schlagwort(e): Classification ; Discriminant analysis ; Principal components ; Biased estimates ; Cross-validation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Classification and regression techniques are among the most used tools by chemometricians. With classification, the two classic methods are discriminant analysis and SIMCA. In this paper we discuss the connection between these two methods and introduce two new ones of the same family: DASCO (discriminant analysis with shrunken covariances) and RDA (regularized discriminant analysis). We demonstrate on both simulated and real data sets that their performance is superior to the old favorites. This is especially true in small-sample/high-dimension settings typical in chemistry.
    Zusätzliches Material: 3 Tab.
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  • 190
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 477-491 
    ISSN: 0886-9383
    Schlagwort(e): Principal components analysis ; Cross-validation ; Procrustes rotation ; Variable selection ; Quality control ; Aviation turbine fuel ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Given a set of test criteria that determine a quality specification, the question often arises whether any of the tests are redundant because of intercorrelations Simple selection of tests on the basis of partial correlations with the other tests is rejected on the basis that the random error in the data may be causing spurious correlations.One method is to use cross-validation to define the systematic principal components and examine the correlation structure in this reduced space. It is shown that the presence of principal components dominated by individual tests (‘variable specific’ PCs), which are indicated by cross-validation as being non-systematic, must be taken into account. Having defined the dimensionality, a variable reduction method based on Procrustes rotation selects subsets of tests that preserve the structure of the samples in multivariate space. This is an attractive proposition in the context of maintaining a quality control specification. It is also shown that the variable reduction technique can be used to aid the identification of the true dimensionality of the data space. This approach is applied to a number of routine tests carried out on aviation turbine fuel.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
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  • 191
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 493-498 
    ISSN: 0886-9383
    Schlagwort(e): Rank annihilation ; Generalized rank annihilation method ; Generalized eigenproblem ; Calibration ; Spectral interferents ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: An improved algorithm for the generalized rank annihilation method (GRAM) is presented. GRAM is a method for multicomponent calibration using two-dimensional instruments, such as GC-MS. In this paper an orthonormal base is first computed and used to project the calibration and unknown sample response matrices into a lower-dimensional subspace. The resulting generalized eigenproblem is then solved using the QZ algorithm. The result of these improvements is that GRAM is computationally more stable, particularly in the case where the calibration sample contains chemical constituents not present in the unknown sample and the unknown contains constituents not present in the calibration (the most general case).
    Materialart: Digitale Medien
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  • 192
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 499-509 
    ISSN: 0886-9383
    Schlagwort(e): Optimization ; Response surface ; PLS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The paper presents a procedure to obtain response surfaces with non-designed data. The method is based on PLS modelling of the expanded X-matrix followed by transformation of the PLS loadings into polynomial coefficients and detection of the co-ordinates of the best response within the experimental domain. The results are presented both graphically and numerically. The procedure is validated on an optimization study of the yield of an organic reaction.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 193
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 511-527 
    ISSN: 0886-9383
    Schlagwort(e): Expert system ; Time series analysis ; Autocorrelation ; Laboratory input signals ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: An expert system is presented for automated time series analysis of laboratory sample input signals. The system, AUTOCORR, builds a model of the time series by identifying the processes that are present. These are an uncorrelated random process and, underlying this, possibly one or more of the following: a first-order autoregressive process, a trend and a periodic process. AUTOCORR has a knowledge base of 44 rules and 41 facts for this purpose. The employed shell, INFER, allows the use of algorithmic procedures. Elaborate tests with simulated signals show that AUTOCORR has a very low false positive score and is successful in describing time series for laboratory simulation models.
    Zusätzliches Material: 11 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 194
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 529-536 
    ISSN: 0886-9383
    Schlagwort(e): Calibration ; Inverse estimator ; Classical estimator ; Mean square error (MSE) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A brief review of the literature on point estimators in linear calibration problems is undertaken. Supportive evidence for the relative merits of the classical and inverse regression models, drawn in general from the classical inferential and Bayesian approaches, is considered and the criteria for comparison of the estimators are discussed with respect to their suitability for certain classes of problems. the performance of the estimators is assessed with respect to determining the current value of ‘x’, the percentage concentration of administered drug levels in blood in this example. No single ‘best’ method of estimation appears to hold for all values of the unknown concentration when performance is assessed by criteria based on the mean square error (MSE). However, the inverse estimator would appear to be superior to the classical for those values of unknown X close to x̄.
    Zusätzliches Material: 3 Tab.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 195
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 537-540 
    ISSN: 0886-9383
    Schlagwort(e): Cluster analysis ; Display ; Interlaboratory test ; Ultrametrics ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Ultrametric inter-object distances found by hierarchical clustering may be used to generate and appropriate constellation of points in a plane. A configuration of points which reproduce the ultrametric distances in a low-dimensional space as closely as possible can be found by Torgerson's method of multidimensional scaling. The resulting display supports the cognition of clusters very well, and for this purpose it seems to be superior to, for instance, the frequently applied principal components display. In certain situations dedrograms are expected to become simpler to interpret when such complementary ‘cluster display’ is also consulted. An example from analytical chemistry is presented.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 196
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 197
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 198
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 544-545 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 199
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989) 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 200
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. i 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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