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  • 1980-1984  (803)
  • 1983  (803)
  • Analytical Chemistry and Spectroscopy  (803)
  • Nuclear reactions
  • 101
    Electronic Resource
    Electronic Resource
    A BASIC program for calculating precise, average and nominal molecular weights from elemental formulae (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 505-506 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple interactive BASIC program for calculating ‘precise’ (single isotopic), average and nominal masses of a molecular ion and all fragment ions is described.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200100905
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  • 102
    Electronic Resource
    Electronic Resource
    Evidence of peroxidase activity of the peroxidation inhibiting protein on dilinoleyl phosphatidylcholine hydroperoxide as obtained in direct electron impact conditions (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 499-504 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The recently purified peroxidation inhibiting protein (PIP) reduces, at the expense of glutathione oxidation, hydroperoxide groups of phospholipids. The mass spectral characterization in direct electron impact conditions of a high performance liquid chromatographic purified typical substrate of PIP (dilinoleyl phosphatidylcholine hydroperoxide) and its enzymatic reaction product is given on the basis of the fragmentation pattern of native dilinoleyl phosphatidylcholine. The results confirm the peroxidase activity of PIP and show that the direct electron impact technique is a suitable tool in mass spectrometric studies of large and thermolabile compounds as oxidation products of phospholipids.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200100904
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  • 103
    Electronic Resource
    Electronic Resource
    Masthead (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983) 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101001
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  • 104
    Electronic Resource
    Electronic Resource
    3,5-diiodotyrosine excretion in human urine in individuals of differing thyroidal status (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 507-511 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The urinary excretion of 3,5-diiodotyrosine was determined in euthyroid, hypothyroid and hyperthyroid individuals using a sensitive gas chromatographic mass spectrometric assay. This involved a multi-step extraction of the amino acid from urine (mean efficiency 28±5.7%) then conversion to the N,O -diheptafluorobutyryl methyl ester. The fragmentation of the derivative is discussed. Although the mean excretions in the two pathological states were significantly different from that of euthyroid individuals (P〈0.01 in both instances) there was considerable overlap with the normal range.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200100906
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  • 105
    Electronic Resource
    Electronic Resource
    Negative ion fast atom bombardment mass spectrometry. In situ reactions of boronic acids with triols and related compounds, sugars and nucleosides (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 512-527 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: On the probe tip of a fast atom bombardment mass spectrometer, boronic acids react with a wide range of trifunctional compounds of appropriate configuration yielding negatively-charged boronate cage compounds. Formation of 5- to 8-membered rings occurs readily in the mass spectrometer. The reaction constitutes a simple and effective means of pre-ionizing boronic acids, triols, aminodiols, monomercaptodiols and related compounds including sugars and nucleosides. The resulting boronate complexes exhibit excellent negative ion fast atom bombardment mass spectra, indicating wide application for (1) analysing polyhydroxy compounds and boronic acids, (2) providing information on configuration of polyhydroxy compounds, and (3) measuring affinity constants of polyfunctional compounds for boronic acids. The use of polyethylene glycol as solvent and mass calibrant is also discussed.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200100907
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  • 106
    Electronic Resource
    Electronic Resource
    β-oxidation of C-6-C-10 fatty acids in rat liver homogenates measured by selected ion monitoring: Effects of cyanide and clofibrate (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 528-533 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The β-oxidation of C-6-C-10-fatty acids/acyl CoA/acylcarnitines in whole ratliver homogenates was determined by specific and simultaneous measurements of the C-6-C-10-fatty acids, i.e. hexanoic, octanoic and decanoic acids, in hydrolysed homogenates in relation to time in assays incubated with the above-mentioned substrates. Measurements were performed by a combined gas chromatographic mass spectrometric technique, i.e. selected ion monitoring. The rate of β-oxidation of the C-6-C-10-fatty acids/acyl CoA/acylcarnitines were registered as the consumption rate of the added substrate. The conversion to the C-2-shortened β-oxidation products was illustrated simultaneously. The rate of β-oxidation of C-6-C-10-fatty acids was several times higher in homogenates from clofibrate-treated rats than in control rats, both in the presence and absence of 2.0 mmol l-1 cyanide. Cyanide caused a minor but significant decrease in the β-oxidation rate in both control and clofibratetreated rats. No differences were found between the β-oxidation of decanoic acid and decanoyl CoA in homogenates from clofibrate-treated rats, whereas the degree of β-oxidation of DL-decanoylcarnitine was halved compared with decanoic acid and decanoyl CoA.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200100908
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  • 107
    Electronic Resource
    Electronic Resource
    Sequencing of underivatized peptides by direct liquid inlet liquid chromatography mass spectrometryPortions of this paper were presented at the Pittsburgh Conference and Exposition on Analytical Chemistry and Applied Spectroscopy, Atlantic City, New Jersey, 13 March 1982 (Paper No. 808). (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 535-543 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Direct liquid inlet liquid chromatography mass spectrometry has been utilized for the detection and sequencing of the peptides lecuine-enkephalin, methionine-enkephalin, and alpha-amanitin. The enkephalins were detected at the nannogram (high picomole) level injected using an RP8 column and a buffer system consisting of ammonium trifluoroacetate and acetonitrile. Positive and negative ion mass spectra were obtained using an RP8 column and a buffer system consisting of triethylammonium acetate and acetonitrile. The sequence of the peptides could be readily determined from the spectra obtained and the positive and negative ion mass spectra provided complementary structural information. A large [M + 1]+ or [M-1]- was obtained in the positive and negative ion modes of operation. A minimal amount of chromatographic resolution was lost upon going from the variable wavelength detector to the mass spectrometer as the detector. This system has the advantage of being a simple and rapid on-line method, providing sequence information, and being sufficiently sensitive for use in detection of peptides isolated from endogenous sources.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101002
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  • 108
    Electronic Resource
    Electronic Resource
    Subnanogram determination of fluphenazine in human plasma by gas chromatography mass spectrometry (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 550-555 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new gas chromatographic mass spectrometric procedure for the quantitation of fluphenazine in plasma is described. The method relies on the selected ion monitoring of fluphenazine (m/z 406.1563) and perphenazine (m/z 372.1299), the internal standard, after extraction from plasma with 5% isopropanol in n-pentane. Interferences by plasma constituents such as cholesterol are avoided by including an n-hexane wash. This wash step reduced the recovery of fluphenazine and to a greater extent perphenazine, however, it yielded an organic solution relatively free of any peaks with interfering ions. Prior to gas chromatographic mass spectrometric analysis the silyl derivatives of fluphenazine and perphenazine are prepared using N,O-bis(trimethylsilyl)acetamide. This procedure allows for the quantitation of as low as 78 pg of fluphenazine per ml of plasma using 2.0 ml plasma aliquots with a coefficient of variation of 4.6%. The high specificity and sensitivity demonstrated by this method allows for the first time the monitoring of plasma concentrations of fluphenazine up to 32 h following a single oral dose of 5 mg of the drug.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101004
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  • 109
    Electronic Resource
    Electronic Resource
    Quantitative analysis of albuterol in human plasma by combined gas chromatography chemical ionization mass spectrometry (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 556-558 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A highly sensitive and specific quantitative assay for the determination of albuterol in human plasma, based on selected ion monitoring gas chromatography chemical ionization mass spectrometry, has been developed. The [MH]+ ions from the tri-TMS derivatives of albuterol (m/z 456) and the internal standard (2H3)albuterol (m/z 459), were assayed simultaneously by selected ion monitoring. The lower limit of quantitation is 0.25 ng ml-1 and the average assay precision (CV) for albuterol concentrations ranging from 0.25 ng ml-1 to 25 ng ml-1 is approximately 4%. This method is currently being employed for the routine quantitation of albuterol in plasma following the administration of doses therapeutically effective to man.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101005
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  • 110
    Electronic Resource
    Electronic Resource
    Effects of liver disease on fecal excretion of methadone and its unconjugated metabolites in maintenance patients. Quantitation by direct probe chemical lonization mass spectrometry (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 544-549 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This study was performed to determine the amounts of methadone and unconjugated metabolites excreted in feces of otherwise healthy methadone maintained patients and to determine whether the metabolism and elimination of methadone, as assessed by analysis of feces, is altered in patients with liver disease. The method for analysis of fecal homogenates was modified from the methods previously developed by our laboratories for the quantitative measurements of methadone and its metabolites in urine, using chemical ionization mass spectrometry with direct probe insertion of specimens to improve sensitivity of analysis. Analysis of fecal homogenates from unmedicated volunteer patients showed that interferences at the mass range of interest (m/z 264 to 326) were usually very small, even smaller than those found in analyses of unmedicated urine specimens, and therefore would not introduce significant error into analysis. Nineteen patients stabilized in chronic methadone treatment for over two years were studied, including five otherwise healthy males and 14 patients with chronic liver disease (nine males and five females). Fecal collections were made over 24 h periods. Three consecutive fecal samples were collected over the required number of sequential 24 h intervals. Each of these fecal collections was analysed separately. Each analysis was made in triplicate, following extraction procedures. The concentrations of methadone and unconjugated metabolites varied due to biological, pharmacological, and analytical factors and ranged from 3.8 ng ml-1 to 42 μg ml-1 of fecal homogenate. The relative concentrations of each, in descending order, were pyrrolidine, pyrrolidone (plus hydroxymethadone), methadone, pyrroline, and methadol. The 24 h fecal excretion of methadone and its unconjugated metabolites was 8.4% (±0.9 SEM) of the administered methadone dose in otherwise healthy normal patients, 9.4% (±1.0 SEM) in male patients with chronic liver disease, and 12.3% (±1.9 SEM) in female patients with chronic liver disease; none of these values was significantly different from the others. The total amounts of methadone and of each unconjugated metabolite excreted in feces were not significantly different in patients with liver disease as compared with otherwise healthy patients.
    Additional Material: 10 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101003
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  • 111
    Electronic Resource
    Electronic Resource
    Mixed gas chemical ionization mass spectrometry of peptide derivatives (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 567-571 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In chemical ionization mass spectrometry, the use of a noble reagent gas mixed with a proton transfer reagent gas is known to produce mass spectra which contain both protonated molecules and fragment ions. We have used a mixture of isobutane and argon to improve the mass spectra of peptides which have been derivatized to O-TMS-polyamino alcohols. The molecular weight is deduced from a prominent [M+H]+ ion; the sequence of amino acids is deduced from the usual A- and Z-series fragment ions. This technique enhances the sequence ions for lysine and glycine-containing peptides, and retains the ability to distinguish C-terminal leucine and isoleucine.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101007
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  • 112
    Electronic Resource
    Electronic Resource
    Systematic analysis of desorption chemical ionization (DCI) mass spectra of nucleic acids - 7For part VI,see Ref.6. (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 559-566 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The positive ion and negative ion pyrolysis mass spectra of the herring sperm DNA have been studied using desorption chemical ionization. The positive ion desorption chemical ionization spectra have been produced with CH4, i-C4H10, NH3, HCl and Cl2; the negative ones with N2O/CH4, N2O/i-C4H10, Cl2, CCl4, HCI and via electron capture. These spectra have been compared with the electron impact ionization spectra. We have observed an important increase of sensitivity when negative ionization has replaced the positive ionization mode. The series of diagnostic ions resulting from direct chemical ionization belong to the family of base + reagent ion X [BH + X] and base + X-HX ion [B]. Their abundance has increased considerably compared to the electron impact spectra. The application of these new diagnostic ions in nucleic acid studies is interesting especially for the much higher abundance of the usually weak dG fragment ion obtained in the negative ionization mode. The dG-base segment of the DNA is the most nucleophilic centre of the whole nucleic acid and is implicated in numerous important biochemical reactions involving, for example, proteins.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101006
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  • 113
    Electronic Resource
    Electronic Resource
    The fragmentation of chalcogen containing fatty acids and their methyl estersResearch sponsored by the US Department of Energy, Office of Basic Energy Sciences, under Contract No. W-7405-eng-26 with the Union Carbide Corporation. (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 572-576 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Electron impact mass spectral fragmentation patterns of a series of fatty acids and the corresponding methyl esters substituted in the alkyl chain with sulfur, selenium and tellurium heteroatoms (chalcogens) have been studied. Fragmentation pathways have been investigated via metastable analysis and high resolution measurements have been performed to confirm the elemental composition of various fragment ions. Several trends in the fragmentation attributable to the specific chalcogen in the molecule are discussed.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101008
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  • 114
    Electronic Resource
    Electronic Resource
    Masthead (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983) 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101101
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  • 115
    Electronic Resource
    Electronic Resource
    Direct supercritical fluid injection mass spectrometry of trichothecenes (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 577-580 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of direct supercritical fluid injection mass spectrometry for the acquisition of mass spectra under mild thermal conditions for mycotoxins of the trichothecene group is demonstrated. Solutions containing diacetoxys-cirpenol or T-2 toxin were injected directly into fluid streams consisting primarily of pentane or carbon dioxide and rapidly brought to supercritical conditions. Direct injection of the fluid stream into a chemical ionization source allows thermally labile or nonvolatile compounds to be transported to the ion source and can replace alternative ‘soft’ ionization techniques where suitable supercritical fluids are used. Low temperature introduction has been demonstrated using carbon dioxide as the supercritical fluid at 300-400 atm and 50-60°C. The trichothecene mass spectra show significant [M+1]+ ions and distinctive fragmentation patterns for isobutane or pentane chemical ionization.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101009
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  • 116
    Electronic Resource
    Electronic Resource
    Identification of metabolites of hexazinone by mass spectrometry (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 581-585 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The metabolites of hexazinone [3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione] obtained in the rat and in plants were identified by mass spectrometry. Rat urine metabolites were identified from direct probe spectra obtained on metabolites separated by thin-layer chromatography. Sugarcane metabolites were identified by gas chromatography mass spectrometry of the trimethylsilyl derivatives. The major metabolic routes were found to be hydroxylation of the cyclohexyl group and demethylation. All identifications were confirmed by synthesis and direct comparison of chromatographic data and mass spectra. Hexazinone is metabolized quickly and extensively in the biological systems studied, and is relatively non-persistent in the environment.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101102
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  • 117
    Electronic Resource
    Electronic Resource
    Piperazine ring cleavage in the electron impact induced fragmentation of piperazine type phenothiazine antipsychotic agents (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 601-607 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Following electron impact studies on the deuterated analogues of fluphenazine, prochlorperazine and trifluoperazine, a dominant fragmentation pathway can be rationalized, which is able to explain the genesis of the major ions formed from piperazine ring cleavage. These proposed pathways were substantiated by accurate mass measurements and daughter ion (B/E) metastable linked scanning, as well as electron impact studies on two model alkylpiperazines and their deuterated analogues.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101105
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  • 118
    Electronic Resource
    Electronic Resource
    Determination of total body water by deuterium isotope dilution measurements using chemical ionization mass spectrometry (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 596-600 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two chemical ionization mass spectrometric methods were developed for direct determination of deuterium in water in the range of 0.0-0.6% 2H2O. One of them utilizes the batch inlet system, methane as the reagent gas, and the peak matching device of a magnetic sector mass spectrometer. The second one utilizes the directly-coupled gas chromatograph of a quadrupole mass spectrometer and computer control for ion selection and data processing. In this method the water itself serves as the reagent gas. The deuterium concentration is calculated from the ratio of ion intensities at m/z 20 (2HH2O+) and m/z 19 (H3O+). We have used these methods to determine total body water in 350 human subjects, which entailed making 900 measurements over a period of four years. Comparisons were made in 200 subjects of our results with those obtained by the creatinine method. No significant differences were found.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101104
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  • 119
    Electronic Resource
    Electronic Resource
    Identification of valproic acid metabolites in human serum and urine using hexadeuterated valproic acid and gas chromatographic mass spectrometric analysis (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 586-595 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Valproic acid, an antiepileptic drug, is extensively metabolized in humans. A hexadeuterated valproic acid was used in this study to aid the identification of metabolites and their artifacts in serum and urine extracts. A 600 mg oral dose of hexadeuterated valproic acid was administered to a human volunteer at steady state serum concentrations of unlabelled valproic acid. By using gas chromatography mass spectrometry, metabolites were characterized as their methyl, tert -butyldimethylsilyl, or trimethylsilyl derivatives. A di-unsaturated metabolite with concentrations comparable to 2-ene valproic acid was identified in serum and urine. The presence of a molecular ion doublet in the mass spectrum corresponding to the unlabelled and hexadeuterated dienes reduces the possible structures for this metabolite. A new metabolite, 2-propyl-4-ketopentanoic acid was also identified in serum and in urine. The dicarboxylic acids, 2-propylsuccinic and 2-propylmalonic were identified in the urine extract as metabolites. Identification of isolated metabolites was aided by comparison of the retention times and mass spectra to those of synthesized reference compounds. Diagnostic fragment ions and ion doublets in the mass spectra of the derivatives of newly identified metabolites were compared to those of known metabolites.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101103
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  • 120
    Electronic Resource
    Electronic Resource
    Structural characterization of underivatized menthyl glycosides using chemical ionization mass spectrometry (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 608-613 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Mass spectra of a series of menthyl glycosides containing up to three sugar units produced by chemical ionization with isobutane and ammonia as reagent gases as well as (2H3) ammonia are reported. The applicability of this mass spectrometric method in structural characterization of the underivatized glycosides is discussed. All of the mass spectra are simple to interpret and afford useful diagnostic information about molecular weight and structural units in the molecules but little information for differentiation between the stereoisomers. The fragmentations producing the diagnostic ions have been confirmed with high resolution measurements and shift technique with (2H3)ammonia reagent gas.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101106
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  • 121
    Electronic Resource
    Electronic Resource
    Electron impact fragmentation of 6-aminouracils (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 626-628 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mechanisms of electron impact fragmentation obtained with selected substituted uracils are discussed. The interpretation of data was substantiated by use of 15N labelled molecules. Results are in accordance with more general decomposition of simple pyrimidine ions. Fragmentation patterns are characteristic of the position of substituents such as 1- and 3-methyl or C-5- or N-6-acetyl. Thus accurate knowledge of these spectra provides useful information for determining the structure of isomeric forms or substituted derivatives of this series.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101109
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  • 122
    Electronic Resource
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    Electron impact mass spectrometric analysis of mercapturic acid methyl esters. Fragmentation of mercapturic acid methyl esters according to ‘retro-Michael’ reactions (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 614-619 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electron impact mass spectral behaviour of 14 synthetically prepared mercapturic acid methyl esters was examined. The most important and characteristic fragmentation reactions are discussed and special emphasis is made on the occurrence and the mechanism of two fragmentation pathways, which were recognized as ‘retro-Michael’ reactions. In principle, each reaction may result in the formation of two typical ions. In addition, three characteristic ‘key-ions’ originating from the N-acetyl(-l-)cysteine methyl ester part of the mercapturic acids were recognized in all mercapturic acid methyl esters investigated; these ‘key-ions’ can most probably be used as a tool for the qualitative as well as the quantitative analysis of mercapturic acids by gas chromatogra-phy mass spectrometry in biological fluids.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101107
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  • 123
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    Masthead (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983) 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101201
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  • 124
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    Metabolism of aminoglutethimide in humans: Identification of hydroxylaminoglutethimide as an induced metabolite (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 620-625 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Hydroxylaminoglutethimide (3-ethyl-3-(4-hydroxylaminophenyl)-2,6-piperidinedione) has been identified as a novel metabolite of aminoglutethimide (3-(4-aminophenyl)-3-ethyl-2,6-piperidinedione) in the urine of patients treated chronically with this drug. The metabolite was isolated by reverse-phase thin-layer chromatography, and characterized by comparison of its mass spectrum and chromatographic properties with those of the synthetic compound. Hydroxylaminoglutethimide is unstable; it is readily oxidized to nitroso-glutethimide and disproportionates in the mass spectrometer into this compound and aminoglutethimide. In none of four patients studied was the metabolite detected in the urine after the first dose of the drug. In one patient it appeared after the second dose and in two more within seven to eight days suggesting that its formation is drug-induced, and that it may be the metabolite responsible for the diminished half-life of aminoglutethimide during chronic therapy. The profile of metabolites from one patient, examined by high-performance liquid chromatography after the first dose and again after six weeks of therapy afforded evidence that the formation of hydroxylaminoglutethimide was at the expense of a major metabolite N-acetylamino-glutethimide. Hydroxylaminoglutethimide was not an induced metabolite in the rat.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101108
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  • 125
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    Identification of 3-hydroxy-3-ethylglutaric acid in urine of patients with propionic acidaemia (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 629-632 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By gas chromatographic mass spectrometric analysis, 3-hydroxy-3-ethylglutaric acid was identified in the urine of patients with propionyl CoA carboxylase deficiency. Simultaneously, large amounts of 3-hydroxyvaleric acid and 3-oxovaleric acid, as well as a number of metabolites previously well known in this disorder, were also found in the urine of the patients. It is suggested that formation of 3-oxovaleric acid and 3-hydroxyvaleric acid proceeds via 3-hydroxy-3-ethylglutaryl CoA as an intermediate by a mechanism similar to that of ketone body formation.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101202
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  • 126
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    High-performance liquid chromatographic mass spectrometric examination of C-methylation artifacts from the permethylation reaction of peptides (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 633-640 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Combined high performance liquid chromatography mass spectrometry using a moving belt interface was used to investigate C-methylation artifacts arising from the permethylation reaction of peptides with methyl sulfinyl carbanion and methyl iodide. C-Methylation was not limited to glycine but, depending on the reaction conditions, other amino acids were also susceptible to it. In the absence of a glycine residue, preference for C-methylation of the C-terminus amino acid was observed. The use of on-line high performance liquid chromatography mass spectrometry allowed the separation of N, O, C-methylated from the N, O, S-permethylated derivatives, thus facilitating interpretation of the mass spectra.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101203
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  • 127
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    A least-squares approach to the quantitation of stable isotopes in mass spectrometry (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 641-645 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A least-squares method has been adapted for the quantitation of stable isotopes in mass spectrometry. The method uses the normalized spectra of the two isotope species and the observed intensities to calculate the isotope ratio by a series of matrix manipulations; it is applicable to systems with multiple overlapping ions. The method is used to establish the expected sensitivity of measurement of 15N enrichment of an amino acid by a focal plane mass spectrometer equipped with an electro-optical ion detector. Since multiple spectral peaks are used, the relationship between additional spectral information and the reduction in variance in ion-current statistics can be demonstrated. The example suggests a method for optimization of simultaneous ion monitoring, or limited scanning methods, by monitoring the number of ions which would contribute to the reduction of variance of the ion current of the compound of interest.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101204
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  • 128
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    Direct quantitative determinations by multiple metastable peak monitoring. 1 - warfarin in plasma (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 646-651 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A technique for the direct quantitative determination of plasma warfarin concentrations has been developed using multiple metastable peak monitoring on a double focusing mass spectrometer of normal geometry. The method uses a direct insertion probe and requires no sample purification or derivatization. Deuterated warfarin was added as an internal standard, and the first field free region metastable fragmentations for the loss of an acetyl radical from the molecular ion of both warfarin and internal standard were monitored. These independent daughter ions were focused by a simple combination of linking the magnetic and electric sectors, accelerating voltage switching and selected ion monitoring using standard instrumentation. Results were acquired and processed by normal selected ion monitoring software. Repeated determinations of plasma warfarin concentrations were made with plasma extracts representing approximately 4 μl of plasma, each sample taking two minutes to process by this technique.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101205
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  • 129
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    A simple method for the synthesis of deuterated pineal methoxyindoles (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 652-654 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method is presented for the synthesis of trideutero-methoxy labelled indoles from hydroxyindoles by a one step methylation. The method is simple and can be used to synthesise a wide range of deuterated methoxyindoles.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101206
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  • 130
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    The assessment of a plasma melatonin assay using gas chromatography negative ion chemical ionization mass spectrometry (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 655-659 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It has been shown that negative ion chemical ionization can increase the sensitivity of the mass spectrometric assay of the pineal hormone melatonin. However, it is an exacting assay requiring extensive sample preparation which precludes its use as a general research tool. We have investigated different derivatizing reagents and reaction conditions to demonstrate that a simple negative ion chemical ionization assay can be developed which will measure low picogram or even femtogram levels of the hormone in samples where the data have been ambiguous.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101207
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  • 131
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    An evaluation of the in vivo metabolism of cystine in Escherichia coli using stable isotopes (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 660-664 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The incorporation of deuterated serine into cysteine during the metabolism of cystine by Escherichia coli was studied in order to determine the extent to which the carbon-sulfur bond(s) of the cystine is cleaved. The results indicate that the major route (∽80%) for cystine metabolism consists of a reductive cleavage of the cystine disulfide bond to form cysteine. Evidence is presented which shows that a portion of the remaining cystine is broken down by a pathway(s) which results in cleavage of the carbon-sulfur bond of the cystine. This pathway would be the same as that expected for the β-elimination of pyruvate from cystine catalysed by the enzyme β-cystathionase. In addition, a small portion of the resulting cysteine is shown to undergo a reversible dissociation to serine and hydrogen sulfide. Evidence is presented which shows that this dissociation is caused by the enzyme cysteine synthetase [O-acetyl-L-serine acetate-lyase (adding H2S)].
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101208
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  • 132
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    Mass sectrometric study of methylene cross-linked derivatives of adenine and adenosine (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. 665-670 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Mass spectra of model methylene cross-linked bases and nucleosides have been studied to provide a more complete understanding of their electron ionization mass spectra for characterization of chemically modified products isolated from RNA or DNA. Four adenine and four adenosine derivatives were prepared having (CH2)n cross links between N6 groups where n = 1-4. Principal fragmentation processes are associated with homolytic cleavage of the methylene chain, often with olefin ion formation by a process associated with the presence of both bases. The fragment ions formed provide a clear means of differentiating base-base linkages from base-sugar or sugar-sugar linkages.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101209
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  • 133
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    R. L. Hawks (Ed.) The analysis of cannabinoids in biological fluids. National Institute on Drug Abuse, Research Monograph Series No. 42. 141 pp. Paperback copies from the Superintendent of Documents, US Government Printing Office Washington, DC 20402, (GPO stock No. 017-024-01151-7) price US$5 or, while stocks last, free of charge from the National Clearing House for Drug Abuse Information, Room 10-A-43, 5000 Fishers Lane, Rockville, Maryland 20857, USA (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. i 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101210
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  • 134
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    Forthcoming meetings (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. i 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101211
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  • 135
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    Product news (1983)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 10 (1983), S. ii 
    Details
    ISSN: 0306-042X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200101212
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  • 136
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    Masthead (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983) 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020101
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  • 137
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    Gas-phase chemistry of collisionally activated ions (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 77-148 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020104
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  • 138
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    Announcement (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 329-329 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020207
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  • 139
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    Masthead (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983) 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020301
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  • 140
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    Mass spectrometry of ammonium and iminium salts (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 419-446 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020402
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  • 141
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    Ionization techniques for nonvolatile molecules (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 447-480 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020403
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  • 142
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    An x-ray spectrometer with a position-sensitive wire detector (PSD) (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. 47-49 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: A new crystal-type x-ray spectrometer is described, which employs a position-sensitive detector for simultaneous radiation detection in a certain energy range given by the spectrometer design. The main specifications are (a) better energy resolution and (b) longer data collection times compared with an energy-dispersive spectrometer.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120111
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  • 143
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    Courses (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. v 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120113
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  • 144
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    Forthcoming meetings & conferences (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. vi 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120114
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  • 145
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    Product news (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. vi 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120115
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  • 146
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    Masthead (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983) 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120201
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  • 147
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    Editorial (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. 51-51 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120202
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  • 148
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    The effect of elastically scattered protons on the energy resolution of x-ray detectors in PIXE measurements (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. 52-58 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: Extensive use has been made of particle-induced x-ray emission (PIXE) analysis over the past several years. The optimization of its detection sensitivity calls for the judicious selection of several parameters including, inter alia, the beam energy used and the x-ray window thickness. Thin windows are required in order to detect the light elements whose x-ray energies are so low that they are heavily attenuated by any absorber material between the target and the detector. The choice of beam energy is dependant on the respective x-ray production cross-sections for elements of interest, the related background generated, as well as the associated beam energy degradation in the targets. These considerations often lead to a state where protons, elastically scattered from the target, have sufficient energy to penetrate the window and enter the x-ray detector. The extent to which such protons and their related secondary electron production affect the energy spectrum resolution of intrinsic germanium and Si(Li) x-ray detectors is demonstrated for a proton beam energy range from 2.1 to 3.5 MeV with a window thickness equivalent to the range of a 2.5 MeV proton.
    Additional Material: 11 Ill.
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    URL: http://dx.doi.org/10.1002/xrs.1300120203
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  • 149
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    A new source configuration for trace analysis of small samples by XRF (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. 67-71 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: A new geometry for a radioactive source was developed for the XRF determination of trace elements in the range 0.1-50 μg in samples with diameters from 2-5 mm. The new set-up was constructed with five 241Am (45mCi each) point sources. The shielding and configuration of the source, as well as the choice of appropriate collimators in the optimal shapes and dimensions, were investigated in detail. The study was carried out to establish the conditions for obtaining maximum sensitivity. The count rates and signal-to-background ratios were compared with those obtained with an annular source and showed an improvement of a factor of ∼2 in the signal-to-background ratio and of a factor of 2-9 in the peak intensity for the elements studied (29≤ Z ≤ 47).
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120205
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  • 150
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    The accuracy and precision of routine energy-dispersive electron microprobe analysis of serpentine (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. 59-66 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: A serpentine mineral specimen used for a standard in a Materials Analysis Company Model 400 electron microprobe equipped with a Kevex Model 5000A energy dispersive sperctrometer and an on-line Hewlett-Packard 2100 computer, was repeatedly analysed during a study of serpentinization. The results of the repeated analyses were statistically analysed and show an acceptable level of accuracy and precision. The relative and absolute errors for the serpentine standard lie within the same ranges as the errors for the other standards (forsterite, enstatite, diopside, kyanite and kaersutite) used, although the standard deviations for the serpentine analyses are slightly greater. These results are within acceptable limits and indicate that serpentine can be routinely analysed by energy dispersed analysis, using a serpentine standard for magnesium and silicon determinations, with the same accuracy but with slightly lower precision than less hydrous silicates. Most elements were present in amounts between 2 to 63 wt% of the oxide in the standards used but 0.31 wt% Al2O3 present in the serpentine standard was routinely determined with acceptable results.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120204
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  • 151
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    X-ray fluorescence analysis with a linear polarized beam after bragg reflection from a flat or a curved single crystal (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. 72-78 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: Improvements of the detection limits in photon induced x-ray fluorescence analysis are obtained by the reduction of the radiation background using linear polarized x-rays for excitation. A single crystal where Bragg reflection takes place at an angle 20 = 90° produces linear polarized and monochromatic x-rays. The use of a single crystal instead of amorphous scattering materials increases the intensity of the polarized beam in some cases up to a factor 104. The use of curved crystals instead of standard flat crystal geometries shows a further increase in the intensity of the exciting beam in the focus line. The crystals in use for both geometries are described. Samples can be investigated in either form, liquid or solid, no special preparation technique is required. Detection limits are given for some elements, absolute amounts of 150 picogram can be detected in some cases.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120206
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  • 152
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    Properties of intrinsic germanium detectors at low engergies by escape peak spectroscopy (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. 82-86 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: The study of the energy resolution and linearity of germanium, x-ray detectors at very low energies is difficult due to the degradation of the spectral line shapes resulting from incomplete charge collection in the detectors's surface dead layer. The use of low-energy, K escapes peaks obviates this difficulty as they are absorbed at depths characteristic of their full-energy parent photons. Measurements have been performed using particle-induced x-ray emission analysis of targets having characteristic K and L x-ray energies just above the Ge K-edge. The escape peaks retain pure Gaussian shapes down to the noise level of the detector and open up the possibility of a selective field of high-resolution escape-peak spectroscopy.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120208
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  • 153
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    Forthcoming meetings & conferences (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. vii 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120210
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  • 154
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    Determination of brass composition and plating thickness on brass-plated wire and cord by x-ray fluorescence spectrometry (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    X-Ray Spectrometry 12 (1983), S. 79-81 
    Details
    ISSN: 0049-8246
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: The control of brass composition and plating weight on brass-plated steel wire and cord used as reinforcement in tyres is generally carried out by atomic absorption spectrometry, or by polarography. These methods require a mineralization of the sample and the analysis time is very long. On account of this, we have studied a direct analytical method on wires based on x-ray fluorescence spectrometry. The mathematical method we use suppresses the influence of the cord construction and allows to calculate simultaneously the composition and thickness of the brass coating. The analytical performances, i.e. repeatability, accuracy and analysis time, are better than those prevailing with atomic absorption spectrometry or differential pulse polarography. Moreover, by dispensing with mineralization of the sample, XRFS is particularly well-fitted for a routine control in production.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/xrs.1300120207
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  • 155
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    High-resolution high-sensitivity mass spectrometers (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 299-325 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 19 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020205
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  • 156
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    Applications of Fourier transform mass spectrometry (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 389-415 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020303
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  • 157
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    Masthead (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983) 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020401
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  • 158
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    Selected reviews on mass spectrometric topics (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 417-418 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020304
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  • 159
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    Mass spectrometry of iridoids (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 481-514 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020404
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  • 160
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    Selected reviews on mass spectrometric topics: Negative ions (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 515-516 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020405
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  • 161
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    Tandem mass spectrometry (MS/MS) instrumentation (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 1-45 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020102
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  • 162
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    New mass spectral approaches to complex carbohydrate structure (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 153-221 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 35 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020202
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  • 163
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    Selected reviews on mass spectrometric topics (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Mass Spectrometry Reviews 2 (1983), S. 327-328 
    Details
    ISSN: 0277-7037
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mas.1280020206
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  • 164
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    The effect of the internal reference on ASIS correlations: 1 - Formyl protons of p-X-benzaldehydes (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 2-5 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The correlation of the ASIS of the formyl protons of benzaldehyde and six of its p-X-derivatives in 12 aromatic solvents show marked deviations. Evidence is presented that these deviations are caused by variations in the shielding of the internal reference protons caused by aromatic solvents. Equations are developed which gauge the effect of TMS on the linear correlations of proton ASIS.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210103
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  • 165
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    The effect of the internal reference on ASIS correlations: 2 - The intrinsic ASIS of TMS protons in aromatic hydrocarbon solvents (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 6-10 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method is developed to calculate the intrinsic ASIS of TMS protons used as internal reference, based on linear correlation of the ASIS of a group of sensor protons in two fixed aromatic solvents. Several solute systems (p-X-benzaldehydes, camphor, α-Br-camphor, 5-X-furfurals, p-X-acetophenones and methyl ketones) are used to calculate a series of intrinsic ASIS values of TMS in 12 aromatic hydrocarbon solvents. The Δα TMS values are used, in turn, to calculate the intrinsic ASIS of CHO protons in dimethylformamide and diphenylformamide, and of the CH3 protons in diethyl ether and diisopropyl ether.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210104
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  • 166
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    Carbon-13 NMR spectra and the method for their calculation for long-chain polybranched carboxylic acids and their derivatives (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 11-19 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carbon-13 NMR spectra of 56 long-chain polybranched carboxylic acids their esters, including chloroand acetoxy-substituted derivatives, have been studied. An empirical linear two-parameter equation, relating carbon chemical shifts in α-branched carboxylic acids and their derivatives to the chemical shifts of the corresponding carbon atoms in analogous hydrocarbons, and to the degree of branching at the α-carbon atom, \documentclass{article}\pagestyle{empty}\begin{document}$$ {\delta_{\rm x} = {\rm A}\delta_{\rm H}+{B_n}+{C}} $$\end{document} is suggested for the assignment of the signals, where δX is the shift in the acid (ester), δH the shift in its hydrocarbon counterpart and n the degree of branching. The regression coefficients, A, B and C, are given for X=COOH, COOMe and COOEt.It is shown that with polysubstituted derivatives, the equation may be applied sequentially. The secondary coefficients for the α-substituent then depend on the nature of the substituent X entering the primary equation. The equation may, if necessary, be applied in combination with the additive and structural increments of halogen atoms.
    Additional Material: 7 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210105
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  • 167
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    Carbon-13 nuclear magnetic resonance study of a new ring-chain tautomerism of some pyridazine derivatives (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 42-45 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C NMR spectra of a number of pyridazine derivatives have been recorded in DMSO-d6 solution and analysed. Examination of the most diagnostic resonances, with particular emphasis on those arising from the pyridazine ring system, enabled the ready establishment of the presence of a ring-chain tautomerism in 5-(o-aminophenylcarbamoyl)pyridazine-4-carboxylic acid, methyl 5-(o-aminophenylcarbamoyl)pyridazine-4-carboxylate, 5-(o-aminophenylcarbamoyl)-3,6,-dimethylpyridazine-4-carboxylic acid and 5-(2-amino-1,2-dicyanovinylenecarbamoyl)pyridazine-4-carboxylic acid. This gave rise to 3′,4′-dihydro-3′-oxospiro[pyridazine-5(2H),2′(1H)-quinoxaline]-4-carboxylic acid, methyl 3′,4′-dihydro-3′oxospiro[pyridazine-5(2H),2′(1′H)-quinoxaline]-4-carboxylate, 3′,4′-dihydro-3′-oxo-3,6-dimethylspiro[pyridazine-5(2H), 2′(1′H)-quinoxaline]-4-carboxylic acid and 5-oxo-2,3-dicyano-1,4,8,9-tetraazaspiro[5.5]undeca-2,7,10-triene-11-carboxylic acid, respectively.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210111
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  • 168
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    Effect of chain length on nuclear quadrupole interaction of nitrogen-14 in aminated n-alkanes (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 46-49 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 14N nuclear quadrupole resonance (NQR) spectra of several aminated n-alkanes of the type CH3(CH2)xNH2(CH2)xNH2 at 77 K are reported and analysed in the framework of a semi-empirical theory. The NQR data presented oscillations for x〈6 and reached limiting values for x≥6. The results obtained are discussed in terms of inductive and conjugative effects, as well as the possible contributions of the hydrogen bond network presented in the solid state.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210112
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  • 169
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    Intramolecular interactions and spin-lattice relaxation times of methyl groups (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 50-53 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The carbon T1 values of the alkyl substituents of various compounds have been measured. The salient observation is that the terminal methyl carbon of the n-propyl or a three-carbon chain bonded to an electronegative atom X(or an electron-donating group) has a reduced T1 value. A net attractive interaction between the methyl hydrogen atoms and X in the gauche conformation is invoked to account for the observed result. In chains longer than three carbons that are not firmly anchored at one end, the γ steric interaction is suggested to be the main steric interaction that causes the reduced T1 value observed for the terminal methyl carbon.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210113
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  • 170
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    1H NMR spectra of diastereomeric 1,4-disubstituted 2,3-diphenylbutanes; examples of ABXX′ A′B′ and A2XX′A2′ spin systems (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 54-55 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 1H NMR spectra of the meso- and (±)-forms of some 1,4-disubstituted 2,3-diphenylbutanes were measured at 400 MHz. The spectral parameters were determined by iterative computer analysis, treating the protons as ABXX′A′B′ or (in some cases) A2XX′A2′ systems.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210114
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  • 171
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    The antarctic lichens: 1 - The stereochemistry of 7β-acetoxy-22-hydroxyhopane from Pseudocyphellaria freycinettii, indigenous to S. Georgia (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 56-59 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: From differential spin decoupling and nuclear Overhauser enhancement experiments, the 400 MHz 1H NMR spectrum of the triterpene 7β-acetoxy-22-hydroxyhopane is interpreted to establish the α-configuration of the side-chain at C-21.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210115
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  • 172
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    The assignment of diastereotopic menthyl groups by two-dimensional NMR (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 60-63 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C and 1H NMR spectra of (-)-bis[1R, 3 R, 4S]menthylphosphine (1) are assigned by two-dimensional double quantum NMR and 13C—1H shift correlation diagrams. The variable temperature spectra of 1 indicate hindered rotation about the P—C bonds.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210116
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  • 173
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    DNMR investigations on 3,3-Dihalo-2,2,4,4-tetramethylpentanes (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 64-66 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 1H and 13C NMR spectra of 3,3,-diiodotetramethylpentane (2), 3,3-dibromotetramethylpentane (3), and 3,3-dichlorotetramethylpentane (4) are temperature dependent. The activation parameters for the tert-butyl group rotation in 2-4 have been determined. The 13C NMR chemical shifts are discussed.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210117
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  • 174
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    Masthead (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983) 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210601
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  • 175
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    Effect of allylic strain on the conformations of diphenyl-substituted tetrahydro-1,3-oxazin-2-ones and hexahydropyrimidin-2-onesFor a preliminary contribution, see Ref. 1. (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 334-338 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The conformations of the cis and trans isomers of 4,6-diphenyl-, 4,5-diphenyl- and 5,6-diphenyltetrahydro-1,3-oxazin-2-one and 4,5-diphenylhexahydropyrimidin-2-one, and of some of their N-substituted derivatives, have been studied by 1H NMR. Conformers with 4a, 6e-, 4a, 5e- and 5a, 6e-phenyl groups are preferred in the respective isomers of the N-H oxazinones, confirming a half-chair conformation of the ring. Allylic strain caused by N-substituents shifts strongly the a,e⇌e, a equilibria in trans-4,6-diphenyl- and cis-4,5-diphenyl-oxazinones, but only moderately the e,e⇌a,a equilibria in the compounds with trans-vicinal phenyl groups. In the latter, the diaxial conformation is preferred only in the case of bulky N-substituents. The diaxial conformation is more favoured in the trans-4,5-diphenylpyrimidones.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210510
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  • 176
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    1H NMR spectra and conformational analysis of some 1,4-dithiepan-6-ones (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 339-343 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 1H NMR Parameters are reported for five 1,4-dithiepan-6-ones. 1,4-Dithiepan-6-one 1-oxide exists in solution as an equilibrium involving two different twist-chair conformations, which contrasts with its conformational behaviour in the solid state. Twist-chair conformers are also adopted by other members of the series, the favoured form varying with ring substitution. The S=O bond in 1,4-dithiepan-6-one 1-oxide and in its 5,5-dimethyl analogue exhibit a preference for the pseudoaxial site.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210511
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  • 177
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    13C and 31P NMR studies of configurational and conformational effects in 1-Phenyl-4-phosphorinanones and their 1-selenides (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 345-351 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carbon-13 and 31P NMR data are reported for 1-phenyl-4-phosphorinanone and its 1-selenide, as well as for two anancomeric 1-phenyl-3,5-dimethyl-4-phosphorinanones and their 1-selenides. The conformational free energy of the P-phenyl substituent in 1-phenyl-4-phosphorinanone is estimated to be ΔG° = 0.81 kcal mol-1 (ca 80% axial) in chloroform, and this result is consistent with both 13C NMR shielding and coupling data. The γ effects of a single atom substituent on phosphorus are found to be small in the case of selenium; information in the literature indicates significant downfield-shifting γe effects due to equatorial oxygen and sulphur substituents in phosphorinanes. In selenides, the shift for the aromatic C-ipso carbon in the axial isomer is further downfield than in the equatorial isomer, an observation not precedented in the literature. In the discussion of P-C coupling data a ‘second order’ Karplus-like relationship is invoked for 3J(PC), which is dependent both on the dihedral angle and on the orientation of the phosphorus lone pair in phosphines. The one-bond P-C-ipso coupling in selenides is identical for all three selenides studied, regardless of the stereochemistry at phosphorus. Similar lack of substantial differentiation is noted for one-bond P-Se coupling. A possible origin of this phenomenon is discussed in terms of diminution of the phosphorus charge contribution to the Fermi contact term. From 31P NMR data a high stereodependence of selenylation shifts is apparent, and greater shifts (by ca 20 ppm) are observed when selenium is bound to phosphorus in the more crowded (axial) position. In anancomeric (conformationally biased) phosphines, the isomer with the axial phenyl group has the 31P signal at lower field. This is consistent with observations made previously for rigid 1-phenylphosphorinanes.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210602
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  • 178
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    1H and 13C NMR studies on 1,3,2-dioxarsolanes (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 417-425 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 1H and 13C NMR spectra of a series of 1,3,2-dioxarsolanes have been obtained at 2.1 T and some at 9.4 T. The chemical shifts and spin-spin coupling constants have been obtained from complete spectral analyses of the 1H and proton-coupled 13C spectra. The spectral data are interpreted on the basis of two rapidly interconverting half-chair conformers with a pseudoaxial substituent at arsenic. Unique assignment of syn/anti or cis/trans geometries have been made from 1H or 13C NMR spectroscopy alone. The syn and trans isomers of the 4-methyl- and 4,5-dimethyl-1,3,2-dioxarsolanes, respectively, appear to be conformationally biased towards the forms with pseudoequatorial methyl groups. The general trends in the geminal and vicinal 1H—1H and 13C—1H coupling constants are interpreted in terms of stereospecific, electronegativity and lone-pair effects of the oxygen heteroatoms and conformational factors. The NMR data on the 1,3,2-dioxarsolanes are discussed with reference to related 1,3-dithoxa- and 1,3-dithia- five-membered rings with As, P, S or C at the 2-position.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210704
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  • 179
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    13C nuclear magnetic resonance and conformational analysis of 5-chloro-2-oxo-1,3,2-dioxathianes (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 426-428 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C NMR chemical shifts in CDCI3 for eight cyclic sulphites, chlorinated at C-5, are reported. The α-and β-deshielding effects and the γ-shielding effects for the chlorine substituent are compared with similar effects in the 1,3-dioxane series and with the effects arising from methyl groups in the sulphite series. The study of two conformational equilibria shows that it is difficult to use 13C NMR spectroscopy for the conformational analysis of cyclic sulphites because of the frequent participation of twist forms, with 1,4- and 2,5-axes, to these equilibria.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210705
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  • 180
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    Spectral editing for 13C NMR signals of deuterated compounds (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 433-435 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: J-modulation of 13C spin echo signals is used to develop a strategy for the analysis of deuterated compounds. On the basis of 1 J(13C2H) and an experimental set-up that allows both 2H and 1H decoupling, 13C subspectra for various groups can be produced. The application of difference methods facilitates the analysis and, finally, leads to the identification of CD, CD2, CD3, CHD, CHD2 and CH2D groups.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210707
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  • 181
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    Phosphol-3-ene 1-oxides and -sulfides. A systematic investigation via carbon-13 nuclear magnetic resonance spectroscopy (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 436-442 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 13C NMR chemical shifts and 13C—31P couplings are reported for 18 phosphol-3-ene 1-oxides and 18 corresponding sulfides. The effects of methyl substitution at positions 3 and 4 on the carbon shifts have been systematically explored and substituent parameters derived. One bond couplings from phosphorus to C-2 and C-5 have been related to the sum of the exocyclic substituent group electronegativities (covalent boundary potential values).
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210708
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  • 182
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    13C and 1H chemical shifts in 2-benzylidene[3]ferrocenophane-1,3-diones. Elucidation of the substituent dependence of carbonyl chemical shifts in different carbonyl derivatives (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 429-432 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C and 1H chemical shifts of the ferrocene moiety, as well as the carbonyl carbons and styrene moiety, of substituted 2-benzylidene[3]ferrocenophane-1,3-diones have been assigned. Correlations of 13C substituent chemical shifts of both carbonyl carbons with the Hammett constants have been found, and the effect of the transmission of substituent effects on these chemical shifts through the styrene moiety is discussed. An explanation is given for the different sensitivities of the carbonyl carbon chemical shifts to the electronic effect of substituents in mono- and dicarbonyl derivatives.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210706
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  • 183
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    Empirical additive parameter and automatic assignment of 13C NMR signals of some aryl and heteroaryl groups. A new criterion for a linear relationship between 13C chemical shifts and charge densities (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 443-449 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C NMR signals of some mono- and disubstituted aryl compounds were assigned by means of empirical additive substituent parameters and information taken from fully coupled spectra. This assignment was compared with that obtained with the help of the method of automatic assignment of the signals based on the linear relationship between 13C chemical shift and charge density. The results show that in the cases of XR substituents (X = O, NH and R = H, CH3, CH2CH2OH) a good correlation is observed and the automatic assignment is correct. In contrast, in the cases of —CH2CH2Y substituents (Y = OH, NH2, Cl) a worsening of the correlation is observed and the automatic assignment is not correct.It is suggested that for compounds with a preliminarily known assignment, the automatic assignment can serve as an additional criterion for the reliability of the linear relationship between 13C chemical shift and charge density.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210709
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  • 184
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    1H and 13CNMR data of C-6 epimeric iridoids (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 460-461 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The NMR data of epimeric pairs of iridoids are reported.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210712
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  • 185
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    Substituent effects on 13C and 15N chemical shifts in triazenes studied by principal components multivariate data analysis (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 450-456 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Principal components analysis was applied to the 13C and 15N chemical shift data on a series of fifteen 1-(para-substituted-phenyl)-3-acetyl-3-methyltriazenes. It was found that the halogen-substituted triazenes formed a class, based on substituent effects, which was different from the remaining eleven triazenes. A one-component model described the halogen class, whereas a two-component model was necessary for a description of the second class. In the second class, substituents tended to cluster to form groups depending on their electronic character.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210710
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  • 186
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    Phosphorus-containing groups in analyses of carbon-13 chemical shifts of 1-hetera-4-cyclohexanones (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 457-459 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C NMR chemical shifts of a series of phosphorinanes and the corresponding 4-phosphorinanones have been evaluated using ‘double difference’ plots. Most of the compounds fit the same linear relationships for the carbons alpha and beta to the hetera group previously found for the analogous sulfur, oxygen and nitrogen six-membered heterocycles, suggesting that these phosphorus compounds possess similar chair conformations. For the carbons gamma to the hetera group, the plots suggest that there are transannular interactions between the trivalent phosphine groups and the carbonyl group, similar to that previously observed for the sulfide group. In these 1-hetera-4-cyclohexanones, transannular interactions appear whenever a lone pair of electrons on a second-row heteroatom is present in the proper conformation for interaction with the carbonyl group.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210711
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  • 187
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    Carbon-13 NMR spectra of some o-carbonyl benzeneselenenyl derivatives (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 461-462 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C NMR signals have been assigned for some ortho-carbonyl benzene-selenenyl derivatives, COR.C6H4. Sex, where R = H, CH3, OCH3 and OC2H5 and X = Cl, Br, CN, SCN, SeCN and CH3. The effects of the nature of R and X have been discussed.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210713
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  • 188
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    G. A. Webb (Editor). Annual reports on NMR spectroscopy, vol. 13. Academic Press Inc. (London) Ltd., 1982. 399 pp. £53.80, US $99.50 ISBN 0-12-505313-4 (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 464-464 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210716
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  • 189
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    G. Govil. and R. V. Hosur. NMR basic principles and progress, vol. 20 - conformation of biological macromolecules - new results from NMR. Series Editors: P. Diehl, E. Fluck and R. Kosfeld, Springer-Verlag, Berlin, Heidelberg. New York, 1982. 216 + viii pp. Cloth: DM 148, approx. US $68.90. ISBN 3-540-10769-X (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 463-463 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210714
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  • 190
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    Application of the INEPT technique to 13C NMR assignments in polynuclear aromatic nitrogeneous heterocycles; 6H-pyrido[4,3-b]-5,11-dimethylcarbazole (ellipticine) (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 71-72 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C NMR spectrum of 6H-pyrido[4,3-b]-5,11-dimethylcarbazole has been re-examined to confirm the assignments using normal decoupled and coupled INEPT techniques. The results indicate that there were several errors in previous assignments. J(13C, 1H) for the seven methine carbons have also been obtained.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210119
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  • 191
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    29Si NMR spectra of trimethylsilylated cyclic acyloins and ketones. 29Si chemical shifts as a measure of ring size (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 73-74 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 29Si chemical shifts are reported for nine 1,2-bis(trimethylsiloxy)cycloalkenes and four 1-trimethylsiloxycycloalkenes, (Me3SiO)xCnH2n-2-x (x=1, 2). For cycloalkene derivatives with n≤8 the silicon shift exhibits a strong dependence on the ring size, although the silicon is exocyclic and is separated by two bonds from the olefinic carbon atom. The dependence can be exploited for ring size determination of cyclic ketones after trimethylsilylation.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210120
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  • 192
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    Carbon-13 chemical shift assignment of some organophosphorus compounds: 1 - Dialkyl and diaryl (alkylamido)phosphates with general formula Y2P(X)NHR (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 75-77 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carbon-13 chemical shifts and the POC, POCC, PNC and PNCC coupling constants of 18 compounds containing the amine moiety, and with the general formula Y2P(X)NHR [Y=C2H5O, C6H5O, CH2O, Y2=1,2-dioxybenzene; X = O or S; R = H, CH3, C2H5, PhCH2CH2, (CH3)2CH, C(CH3)3, C6H11, C6H5, C6H5NH] have been determined. The Y2P(X) group shows a sterically induced effect on the amine moiety; the 13C chemical shift of the Y group is, however, almost unaffected on replacing P(O) by a P(S) group.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210121
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  • 193
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    Masthead (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983) 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210201
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  • 194
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    The shielding of H-α in the stabilized rotameric forms of α,α-di-tert-butylthioacetic esters. The electric and magnetic anisotropic effects of the thione group (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 474-481 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The currently accepted geometry of carbonyl magnetic anisotropic effects, if regarded as extendable to the thione group, imply that the more deshielded of the two H-α lines in the 1H NMR spectra of α,α-di-tert-butylthioacetic esters should be assigned to the ‘180° form’ in which C=S is antiperiplanar to C-α—H. CNDO results, however, indicate the opposite; the line should be assigned to the ‘O° form,’ in which C—S eclipses C-α—H, if the predicted considerable increase in 1s density at H-α on going from the 0° form to the 180° form is taken into account. A change in 1s density at H-α as a result of increased branching of alkylation at C-α is also found. These specific effects must be taken into account when discussing the anisotropic effects of C=O or C=S on H-α shifts.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210805
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  • 195
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    Carbon-13 magnetic resonance spectra and the stereochemistry of some substituted bicyclo[2.1.1]hexanes (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 482-486 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Using selective deuteriation and broad-band and off-resonance proton decoupling techniques, complete signal assignments are made for the 13C NMR spectra of a number of ketones and unsaturated esters with the bicyclo[2.1.1]hexane ring systems.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210806
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  • 196
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    Hindered rotation in five-membered cyclic nitrosamines: A 13C NMR studyThis work was supported by Contract No. NO1-CO-75380, with the Natioal Cancer Institute, NIH, Bethesda, Maryland, USA. (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 79-82 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The equilibrium rotamer populations and N—N rotational barriers of N-nitrosopyrrolidine (1), N-nitrosothiazolidine (2), N-nitrosooxazolidine (3) and their 2-methyl derivatives, 4, 5 and 6, were determined by 13C NMR spectroscopy. While equal rotamer populations occur in 1 and 2, the E rotamers predominate in the other four compounds, with the highest percentage (92%) of E rotamer occurring in N-nitroso-2-methyloxazolidine (6). The average barrier to N—N bond rotation varies over a range of 4.1 kcal mol-1in these compounds, decreasing in the order N-nitrosopyrrolidine 〉 N-nitrosothiazolidine 〉 N-nitrosooxazolidine. The compounds which contain an exocyclic 2-methyl group have average rotational barriers which are 0.1-0.9 kcal mol-1 higher than those of the corresponding unmethylated derivatives. The results are interpreted in terms of the relative effects of steric hindrance by the 2-methyl substituents and electron induction by the heterocyclic sulfur and oxygen atoms on both the rotamer populations and the N—N rotational barriers.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210202
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  • 197
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    13C NMR chemical shifts of thiols, sulfinic acids, sulfinyl chlorides, sulfonic acids and sulfonic anhydrides (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 86-93 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 13C NMR spectra of thiols, sulfinic acids, sulfinyl chlorides, sulfonic acids and sulfonic anhydrides have been obtained. The data are discussed in terms of the additivity of the deshielding effects exerted by the sulfur functionality at the α- or β-position, and the shielding effects produced by the sulfur function at the γ-position.
    Additional Material: 9 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210204
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  • 198
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    Carbon-13 NMR spectra of saturated heterocycles: XIFor Part X, see Ref. 1. - Tetrahydropyrans (oxanes) (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 94-107 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C NMR spectra of 62 oxanes (tetrahydropyrans) with and without methyl substituents at various ring positions, some of them bearing in addition (or instead) ethyl, vinyl, ethynyl, carbomethoxy and methylol substituents at C-2, have been recorded, and the 294 resulting chemical shifts have been correlated by multiple linear regression analysis. Axial and equatorial α-, β-, γ-, δ-, gem- and vic-parameters for shifts caused by methyl groups at all ring positions, and similar parameters for Et, - CH=CH2, - C≡CH, CO2Me and CH2OH groups at C-2, are reported. Standard deviations of the parameters are, in most cases, within 0.3 ppm and the agreement of calculated and experimental shifts is excellent. This is probably the largest parameter set of this type extant. 13C NMR spectra of a number of additional substituted tetrahydropyrans, and of 3,6-dihydro-2H-pyrans and 3,4-dihydro-2H-pyrans, are tabulated and discussed.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210205
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  • 199
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    A revised assignment of the 13C NMR spectra of α- and β-pinenes (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 108-110 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: α-Pinene and β-pinene 13C enriched at the C-10 position were prepared by an unambiguous synthesis. 13C NMR spectral analysis provided evidence for a revised assignment for α-pinene at the C-9 and C-10 carbon atoms.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210206
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  • 200
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    13C NMR spectral analysis of dihydrobenzofuran lignansCDRI Communication No. 2887. (1983)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 21 (1983), S. 119-121 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The assignments of the 13C NMR shift values of the dihydrobenzofuranoid lignans cedrusin and dihydrodehydrodiconiferyl alcohol, their respective 4-O-β-D-glucosides and their acetates have been made. The furanoid stereochemistry in 8,3′-lignans could be deduced from comparative 13C NMR data.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/omr.1270210208
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