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  • 1980-1984  (1,425)
  • 1975-1979
  • 1900-1904
  • 1890-1899  (181)
  • 1870-1879
  • 1982  (1,425)
  • 1892  (181)
  • General Chemistry  (1,340)
  • Atomic, Molecular and Optical Physics  (206)
  • Electron microscopy
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  • 1980-1984  (1,425)
  • 1975-1979
  • 1900-1904
  • 1890-1899  (181)
  • 1870-1879
Year
Keywords
  • 1
    Electronic Resource
    Electronic Resource
    Heat of fusion and lamellar structure of polyethylene single crystal mats (1982)
    Springer
    Colloid & polymer science 260 (1982), S. 564-569 
    Details
    ISSN: 1435-1536
    Keywords: lin. Polyethylene ; Single crystals ; Heat of Fusion ; DSC ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Recently published results for solution crystallized PE single crystals have shown, that the experimental heat of fusionΔH * is higher, if the solvent is exchanged to silicon oil (oil suspension samples) as compared with dried mats. This has been interpreted by the collapse of the original hollow pyramids during drying, inducing lateral defects within the lamellae. The present investigation does not confirm this unexpected result.ΔH * of dried mats (T c 66 to 91 °C) and of the corresponding oil suspension samples agree within the rather small limits of experimental error. The crystallinities as derived fromΔH *, density or WAXS are in excellent agreement. SEM micrographs of cold fractured dried mats show their spongy macromorphology, but TEM micrographs of stained ultra-thin sections reveal the lamellar morphology of the walls, consisting of curved lamellae and stacked hollow pyramides. If a dried mat is sintered at room temperature, a dense transparent film is obtained with a rather regular stacked morphology of large flat lamellae.ΔH * of these films agrees with that of the original mat.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01422587
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  • 2
    Electronic Resource
    Electronic Resource
    Macromolecular transport in the spiral prominence (1982)
    Springer
    European archives of oto-rhino-laryngology and head & neck 236 (1982), S. 41-51 
    Details
    ISSN: 1434-4726
    Keywords: Prominentia spiralis cochleae ; Meerrettichperoxidase ; Elektronenmikroskopie ; Inner ear spiral prominence ; Horseradish peroxidase ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Summary Transport of macromolecules in the spiral prominence of the guinea pig was studied after perilymphatic and intravenous horseradish peroxidase (HRP) injection. HRP was taken up by the spiral prominence epithelium from the perilymphatic space and in a much higher degree from the endolymphatic space. A highly endocytic ativity was shown by the stroma cells surrounding the spiral prominence vessel. HRP particles were stored in the cytoplasm within vesicles and vacuoles of different sizes and different contrasts. The mode of tracer storage in the spiral prominence epithelium and in the stroma cells from the morphological point of view suggests lysosomal digestion. HRP was transported from the perilymphatic space into the spiral prominence vessel lumen by means of vesicular transport through the vessel wall, while transport of the tracer from the vessel lumen into the perilymphatic space after intravenous injection was not observed.
    Notes: Zusammenfassung Nach perilymphatischer und intravenöser Applikation von Meerrettichperoxidase wurde der Transport des Makromoleküls in der Prominentia spiralis des Meerschweinchens verfolgt. Die Tracer-Partikelchen wurden aus dem perilymphatischen Raum und vornehmlich jedoch aus dem Ductus cochlearis in das Oberflächenepithel der Prominentia spiralis aufgenommen. Die das Vas prominens umgebenden Stromazellen nahmen relativ viel Meerrettichperoxidase auf, die im Zytoplasma in unterschiedlich großen und unterschiedlich kontrastreichen Vesikeln und Vakuolen abgelagert wurde. Die Art der zytoplasmatischen Ablagerung des Tracers in den Epithelzellen und den Stromazellen spricht vom morphologischen Aspekt her für einen lysosomalen Abbau. Meerrettichperoxidase wurde von der Perilymphe in das Lumen des Vas prominens transportiert. Dieser Transport erfolgte vesikulär durch das Gefäßendothel. Ein Transport des Tracers in umgekehrter Richtung wurde nach intravenöser Applikation nicht beobachtet.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00464056
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  • 3
    Electronic Resource
    Electronic Resource
    Elektronenmikroskopische Befunde am Bindegewebe von Nervus und Ganglion vestibuli bei Morbus Menière (1982)
    Springer
    European archives of oto-rhino-laryngology and head & neck 236 (1982), S. 67-79 
    Details
    ISSN: 1434-4726
    Keywords: Menière's disease ; Vestibular nerve ; Vestibular ganglion ; Pathologic alterations ; Electron microscopy ; Morbus Menière ; Nervus vestibularis ; Ganglion vestibuli ; Pathologische Veränderungen ; Elektronenmikroskopie
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Vestibularisganglien von 17 Patienten mit einem Morbus Menière wurden nach transtemporaler oder translabyrinthärer Neurektomie elektronenmikroskopisch untersucht. Als Vergleichsmaterial dienten drei Ganglien, die bei anderer Indikation entnommen wurden und vier postmortale Entnahmen von Ohrgesunden. Bei allen Menière-Präparaten zeigten sich am Bindegewebe gleichartige pathologische Veränderungen von unterschiedlich starkem Ausmaß. Sie bestanden in einer Zunahme des Kollagens, wobei sowohl unterschiedliche Kaliber des Faserquerschnittes als auch Veränderungen der Periodizität der Querstreifung beobachtet wurden. Aktive Fibroblasten und reaktive Schwannsche Zellen, die isoliert lagen, keinem Axon zugeordnet waren und deren z. T. hirschgeweihförmig verzweigte, dünne Zellausläufer Kollagenbündel umhüllten, wurden als Zeichen einer noch ablaufenden Kollagenbildung gedeutet. Die Blutgefäße wiesen häufig eine Vervielfachung der Basalmembran auf, die von einem mehrfach breiteren Saum einer homogenen Matrix umgeben war. Die Perizyten waren oft entweder nekrotisch oder teilweise nicht mehr zu beobachten. Die Endothelzellen wiesen in der Regel kein aktives Zytoplasma auf. Sie erschienen teilweise autolytisch. Die pinozytotische Aktivität erwies sich als auffallend verringert. Diese qualitativen Veränderungen im interstitiellen Gewebe könnten auf ein primär lokales pathologisches Geschehen im Bereich des Nerven und des Ganglions hinweisen.
    Notes: Summary Vestibular ganglia of 17 patients with Menière's disease, obtained by transtemporal or translabyrinthine neurectomy, were studied by electron microscopy. Three ganglia removed because of other disease and four ganglia of normal ears taken post mortem served as controls. The neuronal fibrous tissue of Menière cases showed without exception pathologic changes of various extent. The amount of collagen was increased, whereby different fiber diameters were observed as well as changes in the periodicity of cross banding. Signs of continuing collagen formation were found: active fibroblasts and an increased number of isolated Schwann cells without axons, showing deerhorn-like ramifications which enveloped collagen bundles. The blood vessels were frequently surrounded by multiple basal membranes and broad bands of homogenous matrix. The pericytes were either necrotic or nonexistent. The endothelial cell cytoplasma was usually not in an active state. Sometimes it seemed to be autolytic. The pinocytotic activity was strikingly diminished. These qualitative changes of the interstitial tissue might point to a local pathologic event in the region of the vestibular nerve and ganglion.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00464059
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  • 4
    Electronic Resource
    Electronic Resource
    Chordoid sarcoma (extraskeletal myxoid chondrosarcoma) (1982)
    Springer
    Virchows Archiv 399 (1982), S. 61-78 
    Details
    ISSN: 1432-2307
    Keywords: Chordoid sarcoma ; Chondrosarcoma ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Evaluation of a series of 12 chordoid sarcomas suggests that there is a wider range of histological features in this entity then previously appreciated. Six of the lesions had a typical tumor cell organization and a mixture of cellular and myxoid stromal components, while the remaining cases were atypical because of a more solid growth pattern. Four of the 12 cases, that included both typically myxoid and more cellular examples, had small foci with hyalinized stroma segragating individual or small groups of tumor cells with and without lacunar spaces. Two atypical cases revealed more extensive and obvious chondrocytic differentiation in recurrent or metastatic lesions and in one of these, the histological pattern was that of mesenchymal chondrosarcoma. Ultrastructural examination of three cases revealed fine structural features of both the tumor cell population and extracellular matrix compatible with chondrocytic differentiation. Results of light and electron microscopy of this series of chordoid sarcoma add further support for categorizing this tumor with other malignant chondrocytic neoplasms. It is probable that chordoid sarcoma and extraskeletal myxoid chondrosarcoma represent the same entity and that this lesion has a close histogenetic relationship to mesenchymal chondrosarcoma.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00666219
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  • 5
    Electronic Resource
    Electronic Resource
    Adenoma of the human pituitary producing growth hormone and thyrotropin (1982)
    Springer
    Virchows Archiv 395 (1982), S. 59-68 
    Details
    ISSN: 1432-2307
    Keywords: Adenohypophysis ; Electron microscopy ; Growth hormone ; Immunocytology ; Pituitary adenoma ; Thyroid-stimulating hormone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A pituitary adenoma removed by surgery from a 22-year-old man was studied by histology, immunocytology, transmission electron microscopy and immunoelectron microscopy. Clinically, the patient had acromegaly and euthyroidism with elevated blood GH concentrations. Blood TSH and T4 levels were within the normal range. Histologically, the adenoma was chromophobic and exhibited no PAS, lead hematoxylin, aldehyde thionin or Grimelius silver positivity. By the immunoperoxidase technique GH, β-TSH and α-subunit but no PRL, ACTH, α-endorphin, β-FSH or β-LH were demonstrated in the adenoma cells. Electron microscopy revealed adenoma cells which were similar to TSH cells and showed no resemblance to GH cells of nontumorous pituitaries or GH-secreting tumors. Immunoelectron microscopy demonstrated GH and β-TSH in the secretory granules. It is concluded that pituitary adenomas composed of TSH-like cells may secrete GH, resulting in acromegaly. Production of GH by adenomatous TSH cells cannot be explained on the basis of the one cell- one hormone theory. The question is raised whether bihormonal or multihormonal clones, capable of synthesizing more than one hormone, exist in the human pituitary. These cells are apparently dormant under normal conditions, but in the course of neoplastic transformation may undergo functional dedifferentiation and acquire the ability to produce two or more different hormones.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00443484
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  • 6
    Electronic Resource
    Electronic Resource
    Endothelium and “silver lines” (1982)
    Springer
    Virchows Archiv 395 (1982), S. 133-144 
    Details
    ISSN: 1432-2307
    Keywords: Endothelium ; Permeability ; Electron microscopy ; Electrolytes ; Silver
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The significance of endothelial “silver lines” was studied by TEM in rat aortas after perfusion with glutaraldehyde followed by silver nitrate. Standard TEM technique proved unsatisfactory (coarse silver granules, imprecise localization, artefacts). Exposure of the silver-treated aortas to photographic fixer markedly improved the image of the deposits leaving fine, stable, uniform “residual granules” about 100 Å in diameter. Most of these granules were localized along the intercellular junctions; they also tended to pool in the basement membrane beneath each junction. This image suggests that the Ag+ ions pass through the junction, and react with its contents as well as with the basement membrane beyond it. A scheme is proposed to explain the reaction of Ag+ ions with anions and negatively charged radicals within the junction. It is concluded that the “silver lines” represent not only a histochemical effect, but also the visualization of a transendothelial electrolyte pathway.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00429607
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  • 7
    Electronic Resource
    Electronic Resource
    The ultrastructure of human fibrosing alveolitis (1982)
    Springer
    Virchows Archiv 395 (1982), S. 181-199 
    Details
    ISSN: 1432-2307
    Keywords: Lung disease ; Electron microscopy ; Interstitial pneumonia ; Fibrosis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary This report describes the ultrastructural findings in 37 patients who underwent open lung biopsy which yielded diagnoses of fibrosing alveolitis. A spectrum of lesions are categorized for the capillary endothelium and its basement membrane, the interstitial space and its fibrocellular components, and the alveolar epithelium and its basement membrane. The findings typify the different pulmonary cellular reactions to injury. Evidence for cellular regeneration and death in both epithelial and endothelial cell populations include atypical epithelial cell proliferation, capillary basement membrane multilamination, decrease in capillary lumen size and prominent pericytic ensheathment of pulmonary capillaries. Within the interstitium of the lung, proliferation of collagen and elastic fibers are documented, but in addition, abundant myofibroblasts and smooth muscle cells are present. No ultrastructural evidence of immune complex deposition was found in this study. The morphologic findings of fibrosing alveolitis further support the widespread concept that the lung responds to various injuries in a similar manner and undergoes a common reparative response regardless of etiology.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00429611
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  • 8
    Electronic Resource
    Electronic Resource
    Primary sarcoma of the gallbladder (1982)
    Springer
    Virchows Archiv 396 (1982), S. 91-102 
    Details
    ISSN: 1432-2307
    Keywords: Primary gallblader sarcoma ; Electron microscopy ; Histopathology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Six Swedish cases of primary sarcoma of the gallbladder from the period 1958–1973 and 1 case from 1975 were studied by light and electron microscopy. The literature was reviewed for the period after 1970. Ultrastructural features of sarcoma were investigated in order to exclude poorly differentiated carcinoma. One case was considered to be an embryonal rhabdomyosarcoma, three cases leiomyosarcoma and two were diagnosed as fibrosarcoma. One case, diagnosed as sarcoma of the gallbladder by light microscopy, was omitted because electron microscopical examination revealed a squamous cell carcinoma.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00428502
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  • 9
    Electronic Resource
    Electronic Resource
    Arrest and extravasation of neoplastic cells (1982)
    Springer
    Virchows Archiv 396 (1982), S. 73-89 
    Details
    ISSN: 1432-2307
    Keywords: Human malignant cells ; K-562 cell line ; Vascular arrest ; Endothelial attrition ; Extravasation ; Nude and lasat mice ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The morphological aspects of the arrest and extravasation of malignant cells of human origin (K-562 cell line) in the lungs of athymic (nude) and asplenic-athymic (lasat) mice were studied by electron microscopy examination of serial sections. The specimens were obtained at sequential stages after the sc inoculation into newborn mice of 107 malignant cells. K-562 cells (105) were also injected iv into control groups of nude and lasat mice to assess the influence of the route of inoculation on the in vivo behavior of K-562 cells. Our results demonstrated that K-562 cells were arrested and proliferated within the pulmonary capillaries without the participation of platelets or fibrin. The neoplastic cells extravasated by attrition and penetration of the endothelium (rather than by diapedesis) and continued to proliferate in the interstitial tissue of the lung, developing into neoplastic nodules. Following iv injection, K-562 cells induced the formation of platelet-tumor cell aggregates within the pulmonary capillaries. However, under these conditions, the neoplastic cells did not adhere to the endothelium nor did they proliferate or extravasate. These aggregates were flushed out by the circulation, restoring the permeability of the capillaries.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00428501
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  • 10
    Electronic Resource
    Electronic Resource
    An ultrastructural and morphometric study of bladder tumours (II) (1982)
    Springer
    Virchows Archiv 396 (1982), S. 291-301 
    Details
    ISSN: 1432-2307
    Keywords: Electron microscopy ; Bladder neoplasms ; Measurement
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Bladder tissues from 3 groups of patients were examined, using the light and electron microscopes (LM and TEM). One group of patients had a history of well-differentiated papillary transitional cell carcinomas and specimens were taken from cystoscopically normal areas. In a second group frank papillary carcinoma was biopsied. Finally, patients with no history of urothelial tumours and a normal cystoscopic appearance were biopsied during investigations for various benign conditions and these served as controls. In tissues from the first two groups certain differences were seen when these were compared to the controls and the frequency of these was significant. Light microscopic examination of 0.5 μ toluidine blue stained sections revealed an increased number of immature, small dark cells in the superficial layer of the epithelium (P〈0.001). Electron microscopic examination showed that in place of the characteristic asymmetric unit membrane of mature superficial cells, the surface was frequently covered with microvilli and the junctional complexes were often atypical. There was an increased number of abnormalities in the basal lamina (P〈0.001). These features were seen in the absence of cystoscopic and light microscopic changes in three out of eight patients with a history of tumours. It is, therefore, suggested that these are the earliest detectable morphological abnormalities in the pre-neoplastic urothelium.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00431388
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  • 11
    Electronic Resource
    Electronic Resource
    Ultrastructure of a virilizing ovarian Leydig-cell-tumor (1982)
    Springer
    Virchows Archiv 397 (1982), S. 17-27 
    Details
    ISSN: 1432-2307
    Keywords: Ovarian tumor ; Hilus cell tumor ; Leydig cell tumor ; Virilism ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A case of virilizing ovarian hilus cell tumor (Leydig-cell tumor) in a 37 year old female was studied by light and electron microscopy. The ultrastructural features of this rare and almost allways benign tumor are compared with those reported in the literature and with findings in normal and neoplastic interstitial cells of the testis. Tubulovesicular hyperplasia and formation of whorl structures of the endoplasmatic reticulum together with the presence of exocytosis vesicles on the cell surface may be the morphological manifestation of endocrine activity of the tumor. The identity of ultrastructural and optical diffraction characteristics of the crystal inclusions in both cells (hilar and testicular interstitial) favours the assumption of an homology of both cells and their neoplasms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00430890
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  • 12
    Electronic Resource
    Electronic Resource
    Synovial sarcoma arising in an anatomical bursa (1982)
    Springer
    Virchows Archiv 397 (1982), S. 93-101 
    Details
    ISSN: 1432-2307
    Keywords: Biphasic synovial sarcoma ; Semitendinosus bursa ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In previous studies, the origin of synovial sarcoma directly from synovium has not been satisfactorily established. This case report describes the light and electron microscopic features of a biphasic synovial sarcoma occurring within the popliteal fossa. At surgery, a cystic mass was identified in relationship to the semitendinosus tendon at the anatomical site of the semitendinosus bursa. The tumour originated from the inner surface of the bursa as multiple papillary projections with no evidence of extension beyond the capsule of the bursa. Portions of the synovial surface were hyperplastic but otherwise normal. The findings indicate that biphasic synovial sarcoma can arise directly from synovium and support the hypothesis of a mesenchymal histogenesis for this tumour.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00430896
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  • 13
    Electronic Resource
    Electronic Resource
    Tumor of mesonephric origin in a diverticulum of the urethra (1982)
    Springer
    Virchows Archiv 397 (1982), S. 335-345 
    Details
    ISSN: 1432-2307
    Keywords: Bladder neoplasm ; Mesonephric origin ; Urethral diverticulum ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A case of a rare tumor arising in a diverticulum of the urethra was studied. Light microscopy revealed the typical structures of mesonephric tumor with obvious infiltration of the muscularis. Electron microscopic appearance indicated that the tumor cells were immature and not totally characteristic of any tissue of origin. Apart from appearances suggesting rapid growth, cellular inclusions of various appearance were found.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00496574
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  • 14
    Electronic Resource
    Electronic Resource
    Observations on the ultrastructure of human urothelium: The response of normal bladder of elderly subjects to hyperthermia (1982)
    Springer
    Urological research 10 (1982), S. 227-237 
    Details
    ISSN: 1434-0879
    Keywords: Human ; Bladder urothelium ; Electron microscopy ; Hyperthermia
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary An electron microscopic study of normal bladder urothelium of elderly subjects treated by hyperthermic perfusions has shown that the tissue responds, sooner or later, in every instance by desquamation. There is no evidence of cell death prior to desquamation although various organelles undergo structural alterations. Mitochondria are especially prone to suffer varying degrees of damage. A short heat shock has revealed differences in the initial response of the thick and thin regions of bladder urothelium known to occur in elderly subjects. After a long, fractionated treatment, regeneration is evident within 3 daysof the end of treatment, and follow-up biopsies have revealed a hyperplastic urothelium within 10 to 12 weeks. The constituent cells show signs of cytodifferentiation at this time but it remains unknown when an ultrastructurally normal urothelium with characteristic cell layers will be restored. The various treatments in this study suggest that the stem cells in the epithelium are unaffected by the levels of hyperthermia employed and that their unimpaired proliferative capacity ensures regeneration of the urothelium.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00255928
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  • 15
    Electronic Resource
    Electronic Resource
    The effect of tetraphenylporphinesulfonate (TPPS) on muscle end-plates in mice (1982)
    Springer
    Acta neuropathologica 56 (1982), S. 201-206 
    Details
    ISSN: 1432-0533
    Keywords: Muscle end-plates ; Porphyric neuropathy ; Electron microscopy ; Morphometry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Motor end-plates were studied in mice at various intervals after a single injection of a synthetic porphyrin, tetraphenylporphinesulfonate (TPPS). Ultrastructurally, excess accumulation of neurofilaments constituted the earliest abnormality. These were followed by atrophy of many nerve terminals and their separation from the postsynaptic area by interposed separation from the postsynaptic area by interposed Schwann cells. Five to 8 months after the injection some postsynaptic areas showed denervation and atrophy. These progressive changes in the nerve terminals were accompanied by secondary changes in the subneural apparatus. Morphometric analysis revealed marked atrophy of the end-plates and significant swelling of preterminal axons. The present findings are suggestive of partial denervation of muscle, occurring after the injection of a synthetic porphyrin.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00690636
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  • 16
    Electronic Resource
    Electronic Resource
    Intra-astrocytic glycogen granules and corpora amylacea stain positively for polyglucosans: A cytochemical contribution on the fine structural polymorphism of particulate polysaccharides (1982)
    Springer
    Acta neuropathologica 57 (1982), S. 99-102 
    Details
    ISSN: 1432-0533
    Keywords: Cytochemistry ; Electron microscopy ; Polyglucosan bodies
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A cytochemical procedure for polysaccharides was carried out on a brain biopsy specimen, the thin-section study of which had shown excess glucogen granules and the corpora amylacea variety of polyglucosan bodies. Both granules and amyloid bodies were stained positively in contrast to the remaining structures of the brain tissue which remained unstained. This demonstrates that β-granules as well as filamentous and amorphous components of amyloid bodies are just different aspects of the polysaccharide molecule. Up to now the same kind of cytochemical evidence has been supplied for Lafora bodies of human material and Lafora-like bodies of rat material. The present study on corpora amylacea of human material shows that amyloid. Lafora, and Lafora-like bodies all behave the same way when stained for polysaccharides.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00685376
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  • 17
    Electronic Resource
    Electronic Resource
    Spongiform-like changes in Alzheimer's disease (1982)
    Springer
    Acta neuropathologica 56 (1982), S. 146-150 
    Details
    ISSN: 1432-0533
    Keywords: Alzheimer's disease ; Creutzfeldt-Jakob disease ; Spongiform changes ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The ultrastructural study of the cortex of four patients with sporadic or familial AD, of two agematched controls without dementia, and of one normal pressure hydrocephalus, revealed in all the cases in the neuropil only occasional vacuoles which had a morphology similar to those observed in CJD. The degree of spongiform-like changes was, however, far less prominent than in CJD and considered mild in all the cases examined. Moreover, curled fragments of membranes within the vacuoles were not observed. It is suggested that the mild vacuolization of the neuropil occasionally observed in cortical biopsies of AD is a non-specific finding and cannot be considered a neuropathologic link between AD and CJD.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00690586
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  • 18
    Electronic Resource
    Electronic Resource
    Central neurocytoma (1982)
    Springer
    Acta neuropathologica 56 (1982), S. 151-156 
    Details
    ISSN: 1432-0533
    Keywords: Central neuronal tumor ; Third ventricle tumor ; Synapses ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The authors report two cases of a rare tumor in adults which were inserted on the fornix and caused a frontal syndrome. By light microscopy, the tumors, highly calcified, were composed of small clear cells forming dense areas in a patchy fibrillary stroma. Electron microscopy revealed a striking neuronal differentiation with numerous synapses. These tumors, for which the term neurocytomas was proposed, were compared with the other CNS neuronal tumors described in the literature.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00690587
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  • 19
    Electronic Resource
    Electronic Resource
    Oculopharyngeal dystrophy: Ultrastructure of muscles distant from the primary myopathy (1982)
    Springer
    Acta neuropathologica 57 (1982), S. 7-12 
    Details
    ISSN: 1432-0533
    Keywords: Oculopharyngeal muscular dystrophy ; Electron microscopy ; Pectoral and psoas muscles ; Myofibrillar degeneration ; A band fragmentation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The pectoral and psoas muscles from a 72-year-old man afflicted with oculopharyngeal muscular dystrophy were processed at autopsy for electron microscopy. The ultrastructural analyses of the pectoral muscle showed myofibrils which exhibited Z line streaming and a general breakdown in the organization of the sarcomere. In addition, some of the myofibrils displayed sites of degeneration at the center of the A band. The changes in the psoas muscles which are distant from the primary myopathic loci of oculopharyngeal muscular dystrophy were more extensive than that seen in the pectoral muscle. Control tissues showed intact myofibrils and little postmortem alteration.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00688872
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  • 20
    Electronic Resource
    Electronic Resource
    Zur Feinstruktur der Nervenendigungen in den Muskelspindeln des M. lumbricalis der Ratte nach Durchschneidung des Nerven (1982)
    Springer
    Acta neuropathologica 57 (1982), S. 23-36 
    Details
    ISSN: 1432-0533
    Keywords: Muscle spindle ; Electron microscopy ; Nerve endings ; Denervation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The nerve endings in muscle spindles from lumbricalis muscles of the hindpaw of the rat were studied by electron microscopy from 10 h to 7 days after section of the sciatic nerve. No sensory endings were found after 5 days and no motor endings after 3 days. Early changes in sensory endings included accumulation of lamellar bodies, mitochondrial swelling or shrinkage, an edematous appearance of the cytoplasm and disruption of membranes. The predominant way of removal was phagocytosis by activated mesenchymal cells; other endings were incorporated into the sarcoplasm as electrondense bodies. Early changes in motor endings included aggregation or swelling of synaptic vesicles, swelling or shrinkage of mitochondria, edematous change of the cytoplasm and disruption of membranes. The predominant way of removal was incorporation into the cytoplasm of adjacent Schwann cells and degradation to phagolysosomes. Sites of removed sensory endings could be identified by basement membrane reduplication, while the intact subsynaptic apparatus of removed motor endings was either loosely covered by Schwann cell processes, or by fibrillar material, or appeared empty. The differences in the removal of motor and sensory endings are explained by the differences in their anatomic structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00688874
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  • 21
    Electronic Resource
    Electronic Resource
    An electron-microscopic study of the brain of the fruit fly,Drosophila melanogaster, exposed to high-LET krypton (84Kr) particle radiation (1982)
    Springer
    Acta neuropathologica 57 (1982), S. 37-44 
    Details
    ISSN: 1432-0533
    Keywords: Radiation effects ; Nervous system ; Drosophila melanogaster ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Fruit flies (Drosophila melanogaster) were exposed to high-LET krypton (84Kr) ions at low (4.2 rad) and high (1,584 rad) doses and killed to assess acute (36 h post-exposure) and late (35 days post-exposure) effects in the brain by means of electron microscopy. The main findings were: (a) glycogen granules appeared in the neuroglial compartment 36 h after exposure to either dose and were no longer present in flies killed 35 days later, (b) neuronal alterations (swelling and membrane disruption) were observed 35 days after exposure to both doses, (c) changes in the neuroglia (electron-dense masses of concentrically arranged membranous structures) were seen 35 days after exposure. The data are discussed in relation to previous research in the fruit fly using argon (40Ar) charged particles and to other radiation studies performed in the mammalian brain with the view of using the insect brain as a model for detailed study of radiation effects on neurons, neuroglia, and the neuron-neuroglia unit.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00688875
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  • 22
    Electronic Resource
    Electronic Resource
    Hirano bodies in myelinated fibers of hepatic encephalopathy (1982)
    Springer
    Acta neuropathologica 58 (1982), S. 307-310 
    Details
    ISSN: 1432-0533
    Keywords: Hirano body ; Hepatic encephalopathy ; Oligodendroglia ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Inclusions, essentially identical to Hirano bodies, were observed in the substantia nigra, dentate nuclei, and frontal lobes in three autopsy cases of hepatic encephalopathy. Similar inclusions were not observed in these areas in nine controls. The inclusions were mainly seen in the inner loops of the myelinated fibers, between the myelin lamellae, and among degenerated myelin sheaths. The same inclusions were rarely observed in postsynaptic terminals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00688615
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  • 23
    Electronic Resource
    Electronic Resource
    The permeability alteration of brain and spinal cord vasculature to horseradish peroxidase during experimental decompression sickness as compared to the alteration in permeability induced by hyperosmolar solution (1982)
    Springer
    Acta neuropathologica 57 (1982), S. 179-187 
    Details
    ISSN: 1432-0533
    Keywords: Decompression sickness ; Hypertonic solutions ; Blood-brain barrier ; Blood-spinal cord barrier ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The permeability of microvasculature in the cerebral cortex, neostriatum, and spinal cord to i. v. injected horseradish peroxidase (HRP) has been investigated in rats following experimental compression to 6.1 bars (abs.) air for 90 min, and subsequent decompression to the ambient pressure in 1 min. For comparison, 1 ml of 2.0 M urea was injected into the right common carotid artery of rats during 15 s. After exposure to compression-decompression, under the light microscope focal leaky areas were found in all the regions examined. The leakage was most prominent in the grey matter of the spinal cord, and the cerebral cortex. In decompressed rats, arterioles were most often the site of peroxidase extravasation, whereas extravasation of HRP was less frequently displayed by capillaries and venules. In urea-treated rats, capillaries and venules frequently displayed extravasation of HRP as well. Parenchymal cells accumulated the trace adjacent to the leaky areas. Under the electron microscope, the extravasation of HRP was associated with peroxidase-containing pleomorphic vesicular structures in the endothelium, both in decompressed and urea-injected rats. Moreover, in contrast to decompressed rats, the junctions between endothelial cells were penetrated by the trace in urea-treated rats. Accordingly, the results indicate that during decompression sickness the pathway for the extravasation of proteins is through vesicular transfer, whereas the injection of hyperosmolar urea induces extravasation, both through vesicular transfer and junctions between the endothelial cells.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00685387
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  • 24
    Electronic Resource
    Electronic Resource
    Muscle fiber type morphology and distribution in paraplegic patients with traumatic cord lesion (1982)
    Springer
    Acta neuropathologica 57 (1982), S. 243-248 
    Details
    ISSN: 1432-0533
    Keywords: Skeletal muscle ; Paraplegia ; Complete spinal cord lesion ; Histopatology ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Biopsies of the rectus femoris muscle of 22 paraplegic patients with complete acute spinal cord transection due to trauma were taken for enzyme-histochemical and electron-microscopic studies in successive stages starting from the occurrence of the accident (1–17 months). Ingravescent muscular atrophy was demonstrated with a progressive decrease in the fiber diameter and changes in the fiber type distribution with predominant type II atrophy in the first stage and type I atrophy in the later stage of the cord transection. Muscular “neurogenic” changes, such as angular dark atrophic fibers, targetoid fibers, and type predominance are frequently observed. Myopathic alterations are observed in a low percentage in the later stages of the lesion. The ultrastructural findings are characterized by myofibrillar alterations and by dilatation and proliferative phenomena of the sarcoplasmic reticulum and T-system. There are ingravescent accumulation of lipid, interstitial fibrosis and microcirculatory alterations. The possible mechanism of “central” muscle atrophy is reviewed and discussed with reference to the morphological findings.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00692178
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  • 25
    Electronic Resource
    Electronic Resource
    The ultrastructural development of distal nephron segments in the human fetal kidney (1982)
    Springer
    Anatomy and embryology 164 (1982), S. 19-41 
    Details
    ISSN: 1432-0568
    Keywords: Human kidney ; Nephron development ; Distal segments ; Electron microscopy ; Morphometry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The ultrastructural development of the human distal nephron was studied in fetuses 14–18 weeks of gestational age. The three-dimensional course of the nephrons was traced in serial semi-thin sections. Single semi-thin sections containing defined distal nephron segments were then reembedded, thin-sectioned and analyzed by electron microscopy. In stage I (renal vesicle) and stage II (S-shaped body) epithelial cells were essentially similar in ultrastructure. In stage III there were only minor variations in cell ultrastructure between distal nephron segments, but distinct differences were observed between proximal and distal tubule cells, the former being the most differentiated. The segments which are present in nephrons of adult kidneys could be identified in stage IV and some ultrastructural differences recognized between the cells. However, the amplification of the baso-lateral membrane, which is prominent in iontransporting mature distal segments, was almost absent and the baso-lateral membrane area per unit tubule length was similar in all distal segments. Intercalated cells were present towards the end of the distal convoluted and in the connecting tubule in stage IV but the ampulla of the collecting tubule was composed of cells with a uniform ultrastructure. Cell ultrastructure varied again to some extent in the collecting tubule. The present observations demonstrate that distal nephron segments in the human kidney are structurally undifferentiated in the early fetal development and suggest that they only to a limited extent are capable of modifying the composition of the tubular fluid.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00301876
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  • 26
    Electronic Resource
    Electronic Resource
    Immunoglobulin production and secretion in bence jones protein myeloma and “nonsecretory” myeloma (1982)
    Springer
    Annals of hematology 45 (1982), S. 121-129 
    Details
    ISSN: 1432-0584
    Keywords: Multiple myeloma ; Immunoglobulin ; Electron microscopy ; Fluorescent antibody technique
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Using our electron microscopic method for polysome analysis and an immunofluorescent technique we studied Ig production and secretion by tumor cells in seven BJP myeloma patients and seven “nonsecretory” myeloma patients. In BJP myeloma Ig production and secretion is of three types: Type 1, only L-chains are synthesized and secreted; Type 2, the myeloma cells show fluorescence for H-chains, but upon polysome analysis there is no peak at polysomes corresponding to H-chain production; Type 3, the myeloma cells show fluorescence for H-chains, and polysome analysis shows two peaks corresponding to L- and H-chain production. Polysome analysis of “nonsecretory” myelomas show the presence of only very few membrane-bound polysomes and their distribution curves are entirely different from those of “ordinary” myeloma. Furthermore, the distribution patterns vary among seven cases. Results obtained by polysome analysis and immunofluorescent technique suggest that the “nonsecretory” myeloma could be divided into several subtypes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00319940
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  • 27
    Electronic Resource
    Electronic Resource
    Tubular aggregates in skeletal muscle of chronic alcoholic patients (1982)
    Springer
    Acta neuropathologica 56 (1982), S. 250-254 
    Details
    ISSN: 1432-0533
    Keywords: Skeletal muscle ; Chronic alcoholism ; Tubular aggregates ; Histochemistry ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The presence of tubular aggregates (TA) in type II muscle fibers in two of 20 alcoholic patients with chronic liver disease, and with no apparent neuromuscular disorder, is reported. The localization, histochemical reactions, and ultrastructural features of the TA are similar to those previously described in other conditions. In one of the two cases TA were demonstrated by E/M observations only and not by histochemistry. No correlations were found between the biochemical changes and the presence of tubular aggregates. We believe that TA are long-standing structures since the muscle biopsies were performed 12 and 13 days after the ingestion of alcohol had been discontinued. They may represent a non-specific response of the sarcoplasmic reticulum to compensate for the deficient calcium uptake reported in alcoholic patients.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00691255
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  • 28
    Electronic Resource
    Electronic Resource
    Cerebrovascular pathogenesis in the telencephalon of the loop-tail mouse: A transmission electron-microscopic study (1982)
    Springer
    Acta neuropathologica 58 (1982), S. 177-182 
    Details
    ISSN: 1432-0533
    Keywords: Cerebral vessels ; Telencephalon ; Looptail mutant mouse ; Pathogenesis ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Cerebral capillaries in the telencephalon of normal (+/+;Lp/+)_and abnormal (Lp/Lp) loop-tail mutant mice were studied chronologically by means of electron microscopy at stages ranging from 15 through 18 days of gestation. In the abnormal tissue, neural rosettes were common, and cellular material and red blood cells were often contained within the lumen of the rosettes. The endothelial cells of telencephalic blood vessels in the abnormal brains showed a persistence of cellular projections, subluminal vacuoles, and swollen mitochondria beyond the stage when these features ordinarily disappear in normal embryonic cerebral vessels. The endothelial cells in the abnormal brains also failed to become fully invested with pericytes, and red blood cells gradually infiltrated the neural tissue, particularly in subependymal regions, at 16–18 days of gestation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00690798
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  • 29
    Electronic Resource
    Electronic Resource
    Fine structure of merkel cells after PUVA treatment (1982)
    Springer
    Archives of dermatological research 274 (1982), S. 373-375 
    Details
    ISSN: 1432-069X
    Keywords: Merkel cell ; PUVA ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00403744
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  • 30
    Electronic Resource
    Electronic Resource
    Ultrastructural evidence for inhibition of chitin synthesis by nikkomycin (1982)
    Springer
    Development genes and evolution 191 (1982), S. 205-207 
    Details
    ISSN: 1432-041X
    Keywords: Chitin inhibition ; Nikkomycin ; Cuticle ; Electron microscopy ; Epilachna varivestis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary The nucleoside antibiotic nikkomycin has proved to be an effective inhibitor of chitin synthesis in the Mexican bean beetleEpilachna varivestis. Ultrastructural investigations show defects in the procuticular area after nikkomycin application which suggest the complete absence of chitin. A cuticle like this is inflexible and too brittle to satisfy its normal function as an exoskeleton. The individuals are not able to free themselves from the exuvia and finally die. Therefore nikkomycin seems to be a potential insecticide with high specifity.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00848337
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  • 31
    Electronic Resource
    Electronic Resource
    Long-term study of liver damage following subcutaneous injection of airborne particle extracts and polycyclic aromatic hydrocarbon fractions (1982)
    Springer
    International archives of occupational and environmental health 49 (1982), S. 305-314 
    Details
    ISSN: 1432-1246
    Keywords: Polycyclic aromatic hydrocarbon ; Liver ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Female NMRI mice aged 9–12 weeks were each given a single subcutaneous injection of 0.5 ml of a suspension containing either the total extracts or the polycyclic aromatic hydrocarbon (PAH) fraction of airborne particles. Both the total extracts and PAH fractions contain 3 Vg benzopyrene. After about 15 months the livers were removed from the animals, which had by that time developed tumors at the injection site, and were subjected to ectronmicroscopical study. The essential alterations were observed in the nucleoli and the cell nuclei, which had greatly proliferated and exhibited irregular nuclear membranes. Advanced fibrosis was observed in central liver specimens of all groups. Marked alterations were also observed in the mitochondria and the mitochondria) cristae as well as in the bile canaliculi. Intracytoplasmic glycogen usually occurred densely clustered along the periphery of the cell. It may be concluded from the observations that both the total extract of atmospheric suspended particulate matter and the PAH fraction cause hematogenic damage to the liver following subcutaneous injection, a finding which cannot be interpreted as metastatic carcinoma.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00377939
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  • 32
    Electronic Resource
    Electronic Resource
    Biologic characterization of human bone tumors I. Ewing's sarcoma (1982)
    Springer
    Journal of cancer research and clinical oncology 104 (1982), S. 171-180 
    Details
    ISSN: 1432-1335
    Keywords: Ewing's sarcoma ; Type IV collagen ; Factor-VIII-associated protein ; Endothelial differentiation ; Electron microscopy ; Immunofluorescence microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Six cases of Ewing's sarcoma were investigated by electron and immunofluorescence microscopy. A layer of basement membrane-like deposits was found between typical principal and secondary tumor cells. To clarify the nature of these ultrastructural deposits, antibodies against collagen type IV were applied to frozen sections of corresponding tumor tissue. This reaction revealed type IV collagen as a regular component of basement membranes in nonneoplastic tumor capillaries, but it was equally able to localize collagen type IV between single tumor cells in capillary-free areas. With the same method, factor-VIII-associated protein, predominantly found in endothelial cells, could be demonstrated in some tumor cells. These results demonstrate that, in addition to anaplastic cells, some tumor cells are found in Ewing's sarcoma that share certain differentiating features with the endothelial cell.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00402065
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  • 33
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    Electronic Resource
    Ultrastructural pathology of human lymphocytes in lysosomal disorders: a contribution to their morphological diagnosis (1982)
    Springer
    European journal of pediatrics 138 (1982), S. 179-185 
    Details
    ISSN: 1432-1076
    Keywords: Lymphocytes ; Metabolic disorders ; Inclusions ; Lysosomes ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Ultrastructural examination of peripheral lymphocytes was performed in 28 cases of various lysosomal diseases, including infantile, late infantile and juvenile neuronal ceroid-lipofuscinoses (NCL), mucopolysaccharidoses (MPS), juvenile and adult metachromatic leukodystrophies (MLD), GM1-gangliosidosis, one patient with presumed mucolipidosis type IV, mucolipidosis type III, and glycogenosis type II. Based on our own observations on the ultrastructure of lymphocytes in lysosomal disorders, our results may be divided into the following 3 groups: 1. pathological findings with specific inclusions: each type of NCL, presumed mucolipidosis type IV, glycogenosis type II; 2. pathological findings with vacuoles: types I-H, II, III-A and III-B, IV, VI-A and VI-B of MPS, GM1-gangliosidosis; 3. apparently no pathological findings: juvenile and adult MLD, mucolipidosis type III, GM2-gangliosidosis, Gaucher disease. These results led us to conclude that morphological investigations utilizing lymphocytes do not always offer sufficient diagnostic information although easy accessibility favors diagnostic ultrastructural studies of lymphocytes. Such morphological studies should be supplemented by diagnostic biochemical methods.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00441150
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  • 34
    Electronic Resource
    Electronic Resource
    Comparative studies onChlorella cell walls: Induction of protoplast formation (1982)
    Springer
    Archives of microbiology 132 (1982), S. 10-13 
    Details
    ISSN: 1432-072X
    Keywords: Calcofluor White ; Cell wall structure ; Chlorella ; Electron microscopy ; Protoplast ; Ruthenium Red
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Among 12 strains ofChlorella ellipsoidea, C. vulgaris, andC. saccharophila tested, 4 strains (1,C. ellpsoidea; 2,C. vulgaris; 1,C. saccharophila) formed osmotically labile protoplasts after treatment with mixtures of polysaccharide degrading enzymes. The relationship between enzymatical digestibility and structure or composition ofChlorella cell walls were studied by electron microscopy and staining techniques with some specific dyes. The cell wall structures of the 12Chlorella strains were grouped into three types: (1) with a trilaminar outer layer, (2) with a thin outer monolayer, and (3) without an outer layer. Protoplasts were formed only from the strains with a cell wall of Type 2. In the strains with a cell wall of Type 1, the outer layer protected the inner major microfibrillar layer against enzymatic digestion. The cell wall of Type 3 was totally resistant to the enzymes; the chemical composition of the cell wall would be somewhat different from that of other types.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00690809
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  • 35
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    Electronic Resource
    Thylakoid centers: Structures associated with the cyanobacterial photosynthetic membrane system (1982)
    Springer
    Archives of microbiology 133 (1982), S. 97-99 
    Details
    ISSN: 1432-072X
    Keywords: Cyanobacteria ; Thylakoid centers ; Photosynthetic membranes/thylakoids ; Membranes ; Membrane biogenesis ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract An ultrastructural study of four cyanobacteria (Anabaena cylindrica, Dermocarpa violaceae, Gleocapsa alpicola, Pleurocapsa minor) indicates the presence of previously undescribed thylakoid centers from which photosynthetic membranes (thylakoids) radiate. These peripherally located thylakoid centers are cylinders 30 nm wide by 320 nm long, consisting of globular subunits oriented in nonparallel stacked arrays. Thylakoids are attached to the outer surface of the cylinder along its longitudinal axis. Thylakoid centers appear to be functionally significant due to their structure, location and thylakoid association.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00413518
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  • 36
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    Electronic Resource
    Cell wall degradation ofStaphylococcus aureus by lysozyme (1982)
    Springer
    Archives of microbiology 131 (1982), S. 116-123 
    Details
    ISSN: 1432-072X
    Keywords: Cell wall ; Wall degradation ; Lysozyme ; Autolysines ; Electron microscopy ; Staphylococcus aureus
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract In contrast to former findings lysozyme was able to attack the cell walls ofStaphylococcus aureus under acid conditions. However, experiments with14C-labelled cell walls and ribonuclease indicated that, under these conditions, lysozyme acted less as an muralytic enzyme but more as an activator of pre-existing autolytic wall enzymes. Electron microscopic studies showed that under these acid conditions the cell walls were degraded by a new mechanism (i.e. “attack from the inside”). This attack on the cell wall started asymmetrically within the region of the cross wall and induced the formation of periodically arranged lytic sites between the cytoplasmic membrane and the cell wall proper. Subsequently, a gap between the cell wall and the cytoplasmic membrane resulted and large cell wall segments became detached and suspended in the medium. The sequence of lytic events corresponded to processes known to take place during wall regeneration and wall formation. In the final stage of lysozyme action at pH 5 no cell debris but “stabilized protoplasts” were to be seen without detectable alterations of the primary shape of the cells. At the same time long extended ribbon-like structures appeared outside the bacteria. The origin as well as the chemical nature of this material is discussed. Furthermore, immunological implications are considered.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01053992
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  • 37
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    Electronic Resource
    Human osteogenic sarcoma (1982)
    Springer
    International orthopaedics 6 (1982), S. 171-179 
    Details
    ISSN: 1432-5195
    Keywords: Osteosarcoma ; Electron microscopy ; Acid phosphate ; Alkaline phosphate ; Bone tumour
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé La morphologie de 26 sarcomes ostéogéniques a été étudiée par microscopie électronique et la localisation des phosphatases acide et alcaline a pu être précisée au niveau ultrastructural. Quatre différents types de cellules ont été mis en évidence dans les tumeurs: cellules d'aspect ostéoblastique, fibroblastique et chondroblastique, ainsi que des cellules géantes multinuclées. Les cellules d'aspect ostéoblastique étaient présentes dans presque toutes les tumeurs étudiées. Une activité phosphatasique acide a été trouvée dans les lysosomes de toutes les cellules étudiées. Une activité phosphatasique alcaline a été observée dans — ou sur — la membrane plasmatique et dans les vésicules associées des cellules d'aspect ostéoblastique et fibroblastique ainsi que des cellules géantes. L'abondance des produits de réaction de la phosphatase alcaline contrastant avec une faible activité phosphatasique acide est en accord avec la nature de cette tumeur ostéogénique. Les résultats de l'étude histochimique ont aidé à comprendre la pathobiologie des différentes cellules qui constituent les sarcomes ostéogéniques.
    Notes: Summary The morphology of 26 cases of osteogenic sarcoma was studied using electron microscopic techniques, and the localization of acid and alkaline phosphatase activity at the ultrastructural level elucidated. Four different cells were present in the tumours: osteoblast-like, fibroblast-like, chondroblast-like, and multinucleated giant cells. The osteoblast-like cell was present in most of the tumours studied. Acid phosphatase activity was present in lysosome-like structures of almost all the cell-types studied. Alkaline phosphatase activity was noted in or on the plasma membranes and associated vesicles of osteoblast-like, fibroblast-like, and multinucleated giant cells. The abundant reaction product deposition of alkaline phosphatase as compared with the lower acid phosphatase activity is in agreement with the nature of this bone-forming tumour. The results of the histochemical studies have added to the understanding of the pathobiology of the different cells composing osteogenic sarcomas.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00267727
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  • 38
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    Electronic Resource
    Sensory organs inIps typographus (Insecta: Coleoptera) — Fine structure of antennal sensilla (1982)
    Springer
    Protoplasma 111 (1982), S. 206-214 
    Details
    ISSN: 1615-6102
    Keywords: Bark beetle ; Sensilla ; Chemoreceptors ; Mechanoreceptors ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary The antennal sensilla inI. typographus are almost exclusively confined to the flattened terminal flagellar segment. The sensillar types have distinct distribution patterns in the three areas where they are found. Judging from the ultrastructural characteristics the following functions can be assigned to the sensillar types: chemoreception, single-walled and double-walled sensilla; chemoreception/mechanoreception, terminal-pore sensillum. Moreover there are two types of mechanoreceptors, one of which is connected to a bristle, whereas the other terminates within the cuticle of the flagellar segment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01281968
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  • 39
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    Electronic Resource
    Morphologische Untersuchungen zur Toxizität der Ethacrynsäure an der Prominentia spiralis (1982)
    Springer
    European archives of oto-rhino-laryngology and head & neck 236 (1982), S. 217-228 
    Details
    ISSN: 1434-4726
    Keywords: Ethacrynic acid ; Spiral prominence ; Electron microscopy ; Ethacrynsäure ; Prominentia spiralis cochleae ; Elek tronenmikroskopie
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Nach einmaliger intravenöser Ethacrynsäure-Applikation (40 mg/kg Körpergewicht) wurden die ultastrukturellen Veränderungen in der Prominentia spiralis der Meerschweinchenschnecke nach Einwirkungszeiten zwischen 5 und 90 min untersucht. Nach einer initialen Schwellung der den Endolymphraum begrenzenden Epithelzellen entwickelte sich ein interzelluläres Ödem und eine ausgeprägte Schrumpfung der das Vas prominens umgebenden Stromazellen mit nachfolgender Erweiterung des Perivascularraumes. Während die Veränderungen in der Stria vascularis und der Prominentia spiralis im zeitlichen Verlauf sich weitgehend identisch entwickelten, setzte die Rückbildung zur normalen Ultrastruktur in der Prominentia spiralis früher ein.
    Notes: Summary Ultrastructural changes in the guinea pig spiral prominence were studied at various times after a single intravenous injection of ethacrynic acid (40 mg/kg body-weight). Initial swelling of endolymph-facing epithelial cells was followed by dilatation of the intercellular spaces and marked shrinkage of the stroma cells surrounding the spiral prominence vessel. While the changes in the stria vascularis and the spiral prominence progressed at about the same pace, the regression to normal ultrastructure set in earlier in the spiral prominence.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00454213
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    Novel graph-theoretical approach to estimating the relative importance of individual Kekulé valence structures. III. Nonalternate and nonbenzenoid hydrocarbonsThis paper is dedicated to Professor Milan Randić. (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 793-797 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Molecular connectivities of submolecules [H. Joela, Theor. Chim. Acta 39, 241 (1975)] corresponding to Kekulé structures of nine nonalternate hydrocarbons and four nonbenzenoid hydrocarbons containing four-membered rings are correlated with their Kekulé indices. In the latter class of compounds it was observed that the corresponding submolecules contain cut vertices and bridges in contrast to submolecules of benzenoid hydrocarbons which are devoid of such bridges. It was observed, furthermore, that the branching index goes up with the number of bridges in the submolecule. The results present an application to the abstract relation [D. Cvetković, I. Gutman, and N. Trinajstić, J. Chem. Phys. 61, 2700 (1974)] between resonance and MO theories.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560210504
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    Critical examination of approximate LCAOMO methods. I. Reasons for the failure of the CNDO and INDO methods in theoretical conformational analysis of conjugated compoundsThis paper is Part XVIII of the series “Quantum Chemical Calculations for the Determination of the Molecular Structure of Conjugated Compounds”; for Part XVII, cf. Ref. 29. (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 833-843 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is well known that the CNDO and INDO methods fail in the field of theoretical conformational analysis of conjugated compounds. The NDDO approximation, however, can be applied very successfully to this problem. In this paper, a comparative analysis of these three approximations is performed to clarify the reasons for the failure of the former two methods. It is shown that the defects are inherent in their formalisms, and there is no reasonable possibility to compensate them (e.g., by reparametrization) at the level of the CNDO and INDO approximations. The central inadequacy is the oversimplified treatment of the two-center exchange interaction. In the case of molecules containing heteroatoms with lone-pair electrons the known defects concerning the description of Coulombic interactions of anisotropic charge distributions can additionally influence the results. To overcome these shortcomings, at least an extension of the formalism to the level of the NDDO method is necessary.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210508
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  • 42
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    Theory of the electron distribution in compressed atoms at high temperatures (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 899-903 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: To calculate atom-atom interactions at high temperatures, one needs the electron densities of the interacting atoms. The present paper outlines an approach by which the temperature-dependent electron densities of compressed atoms may be obtained. The approach suggested makes use of the temperature-dependent Thomas-Fermi (TF) equation, and a variational principle by which this equation may be solved approximately.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210515
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  • 43
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    Scaled one-electron hamiltonian model for open-shell LCAO-MO-SCF calculations: Comparison with the restricted open-shell method of roothaan (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 905-915 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The performance of a recently proposed scaled one-electron Hamiltonian (SOEH) model is tested against parallel sets of restricted open-shell calculations by the method of Roothaan. It is found that the energy calculated by SOEH model, in general, lies slightly higher than the energy computed by the restricted open-shell method of Roothaan lending credibility to the application of variational argument to the scaled pseudoenergy functional (Eav) for deriving the SOEH model. The numerical stability of the converged SOEH energy with respect to changes in trial vectors indicates the reliability of the method. The SOEH model is shown to perform well in the calculation of geometries of radicals and ions. The convergence behavior of the SOEH model is compared with that of the restricted open-shell method of Roothaan.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560210516
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    Announcements (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 943-943 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210522
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  • 45
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    Studies in Löwdin's partitioning technique in quantum theory. II. Operators T and Ω (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 183-190 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Operator Ω and reaction operator T of Löwdin are studied with a slightly different approach, which leads to a clearer understanding of their nature and brings out the relevance of the conditions for the invertibility of K studied in the preceding work in this series.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220116
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    Masthead (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220201
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  • 47
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    Analysis of the covalent bond: One center floating functions for the hydrogen molecule ion (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 241-251 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The roles of kinetic and potential energy operators in the formation of a chemical bond are investigated using the virial and electrostatic theorems. It is shown that an integrated form of the virial theorem throws a new light on a paradox involving changes in the mean kinetic energy on bond formation. Detailed calculations on the ground state of H2+ lead to a surprisingly simple electrostatic approximation to the bond. The entire potential curve is given to good accuracy (ca. 80% bond energy) by the electrostatic forces between the two protons and a single, nodeless, spherically symmetric charge cloud representing the electron, provided that, if the bond is stretched beyond about 3.6 a.u. the charge cloud switches suddenly from a central location to a position near one proton.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220203
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    Remarks on the use of the average occupation numbers in the SCF process for open shell systems (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 289-292 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown that the utilization of an average occupation number for open shell orbitals, having different occupation numbers in a degenerate wave function, tantamounts to disregard first order contributions in a CI-type expansion of the wave function. These contributions are taken into account in a SCF process that derives the differently occupied open shell orbitals as eigenfunctions of different Fock-type operators and accounts for the total symmetry.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220207
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    Instabilities of the symmetry-adapted restricted-hartree-fock ground state in infinite polyenes. I. Singlet instabilities (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 351-365 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The singlet instabilities of the RHF ground state in infinite polyenes have been studied in the framework of a semiempirical PPP Hamiltonian, accounting for long-range Coulomb interactions until convergence of the ground-state energy per electron value. The symmetry-adapted RHF solution (SAS) has been shown to be unstable to the formation of bond-order alternation waves (BAW's) and charge-density waves (CDW's). The CDW solutions have been shown to be higher in energy than the corresponding BAW solutions and to represent saddle points of the energy hypersurface, unstable to the formation of BAW's for physically realistic range of variation of the semiempirical parameters. Analytical formulas for the SAS ground-state energy per electron have been derived in case of a Coulomb law and a Mataga-Nishimoto formula for the two-center Coulomb integrals.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220212
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  • 50
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    Ab initio molecular calculations with pseudopotentials: Calculations of double-zeta quality on ethylene, acetylene, and water (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 415-420 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Calculations with pseudopotentials of double-zeta quality have been performed on ethylene, acetylene, and water molecules. A description of the carbon-carbon double and triple bonds is presented in the framework of the pseudo-FSGO method. A possible model of the oxygen lone pairs has been established and its functioning has been proved by calculations on the water molecule.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220216
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    Electronic structure of triatomic interhalogens (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 435-440 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220220
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    The graph center concept for polycyclic graphs (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 441-441 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220221
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    Orbital symmetry, orbital stability, and orbital pairing rules for organic reactions in the ground state (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 459-484 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A generalization of the Hartree-Fock molecular orbital (MO) theory for treating diradical intermediates was explained pictorially by drawing molecular orbitals of diradical species such as ring-opened trimethylene. The generalized MO theory applied to elucidate electronic mechanisms of concerted, ionic, radical, and ion-radical reactions of organic reactants in the ground state. Generalized MO computations revealed the most essential characteristics of these reactions and mutal relationships between the worlds of Woodward-Hoffmann and Hughes-Ingold. Generalized MO studies supported our orbital symmetry, stability and pairing rules for concerted, ionic and radical reactions in the ground state, respectively. An extension of MO treatments to excited states reactions was briefly pointed out in relation to the density and spin correlation functions by the multireference CI wave functions.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560220303
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    Ab initio studies on the nonplanarity of a peptide unit: Calculations on model compounds (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 547-556 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The nonplanarity of a peptide unit has been studied by the ab initio method (GAUSSIAN 76) considering both the pyramidal structure of nitrogen and the variation of the ω angle for the N-methyl-acetamide and N-ethyl-acetamide in their cis and trans conformations. Several semiempirical methods have also been used for the sake of completeness of this work. All methods except CNDO and PCILO support a nonpyramidal structure for the nitrogen. The distortions of the planarity of the peptide unit show for both cis and trans conformations of the model compounds a significant asymmetric shift of the minimum on the energy curve for the ω rotation.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220307
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    Invariance properties of the multipole expansion (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 293-298 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The calculations of long-range interaction energy are often based on multipole expansion. The truncated multipole expansion and interaction energy calculated with it are noninvariant with respect to an arbitrary choice of local coordinate systems. In this paper we show that truncated multipole expansion of form Σk = 1n CkR-k is “numerically” independent on a choice of local coordinate systems, if convergence conditions are satisfied.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220208
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    Generalized Euler transformation in extracting useful information from divergent (asymptotic) perturbation series and the construction of Padé approximants (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 307-330 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Euler transformation for accelerating convergence of a series is considered in the context of handling divergent (asymptotically convergent) perturbation series. A generalized (parametrized) version of this transformation is developed, based on the conjecture of Dalgarno and Stewart, which works better. Viewed from this standpoint, the Padé approximants follow as a special case of the parametrized Euler transformation (PET), as is the case with the μ transformation procedure of Feenberg in a perturbative context. The PET is shown to serve as a more general method of handling a divergent series and is able to appreciate the construction and convergence behavior of specific sequences of Padé approximants. The role of parametrization in the context of the Z-1 perturbation theory of atoms is also noted and the workability of the adopted strategy is demonstrated by choosing some specific test cases.
    Additional Material: 8 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220210
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    Method for constructing isomerization reactions (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 385-395 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method is formulated for enumerating and constructing isomerization reactions of molecules exhibiting large amplitude nonrigid motions. This method not only enumerates the isomers of nonrigid molecules and the corresponding rigid molecules but also the symmetry species spanned by the equivalent structures whose representative is an isomer. Consequently, using the method of correlating the symmetry species of a group to the symmetry species of its subgroup the splitting patterns of isomers of nonrigid molecule to those of rigid molecule are obtained. This provides an elegant method for both enumerating and constructing reaction graphs. The method is illustrated with examples.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220214
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    Calculation of total molecular energies from an approximate relation between SCF orbital, atomic electronic repulsion, and total SCF energies (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 429-431 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220218
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    Spin-orbit coupling in molecules. By W. C. Richards, H. P. Trivedi, and D. L. Cooper Clarendon Press, Oxford, 1981 (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 443-443 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220222
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    Electronic aspects of enzymatic catalysisWork supported in part by CNPq and FINEP (Brazilian Government Agencies). (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 537-545 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Enzymes are large aperiodic structures and this hinders both ab initio molecular orbital and Bloch-type band theory of calculations. A frontier orbital perturbation theory of catalysis is applied to enzymes. Reasons are given for proposing that the induced-fit conformational changes, essential to enzymatic catalysis, leads to an increase in the electronic eigenvalue density at the active site, enhancing the necessary catalytic orbital perturbation.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560220306
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    Electrostatic effect on catalytic rate enhancement in serine proteinases (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 575-582 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The hypothesis that an electrostatic effect of the buried aspartate side chain may contribute considerably to the extreme catalytic power of serine proteinases is presented. This statement is based on an analysis of environmental effects, due to amino acid residues in the vicinity of the Ser-221…His-64 couple and to hydration in subtilisin BPN'.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560220309
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    Homogeneity characteristic of molecular electronic energies (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 661-662 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220316
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    Further calculations on the internal rotation spectrum of phenol (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 681-690 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The influence of a small deformation of CĈO angle in phenol (tilt), into the rotational far-infrared (FIR) spectrum is analyzed using several approaches. In all of them, the CNDO/2 method is used to determine the potential energy functions. In a first step, the C—O bond and the rotation axis are both supposed to coincide with the C2 symmetry axis of the phenyl group. With this assumption the torsional frequencies are calculated in both the symmetric and asymmetric rotor approximations. In a second step, the tilt of the C—OH bond is determined theoretically and found to be -3°, measured from the C2 symmetry axis, the C—OH bond crossing this axis, Using this second geometry, and taking as the rotation axis the C2 axis, the torsional frequencies are again determined in both approximations. An improvement of the calculated transition energies is encountered at each stage of the calculation, when compared with experimental data. Finally the importance of the introduction of a tilt into the FIR torsional frequency calculations is discussed.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560220403
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    Molecular inversion in the nπ* states: A theoretical investigation of some model systems in a semiempirical molecular orbital framework (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 775-782 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The considerations of Walsh rules are extended to rationalize the loss of planarity in the 1,3nπ* states of simple carbonyl and thiocarbonyl molecules. The role of Fermi correlation in shaping the differences between conformations in the singlet and the triplet state is emphasized. The role played by the π* orbital is also considered.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560220410
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    Masthead (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220501
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    Quantum fluid dynamics of many-electron systems in three-dimensional space (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 871-888 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In presence of external electric and magnetic fields, the Schrödinger equation for many-electron systems is transformed into a continuity equation and an Euler-type equation of motion in configuration space. Then, using the natural-orbital Hamiltonian, as defined by Adams, the two fluid-dynamical equations are derived in the three-dimensional space. This generates a “classical” view of such quantum systems, corresponding to an MCSCF wave function: The many-electron Schrödinger fluid consists of individual fluid components, each corresponding to a natural orbital and having its own charge density and current density. The local observables, viz., the net charge density and net current density, are obtained by merely summing over the natural orbitals, with the occupation numbers as weight factors; but, the net velocity field cannot be so obtained. Further, although each fluid component moves irrotationally in the absence of a magnetic field, the net velocity field is not irrotaional. The irrotational character of each velocity component is destroyed by rotation of the nuclear framework of the system while electron spin introduces an additional term, the spin magnetization moment, into each component current density. The physical significance of the fluid-dynamical equations as well as their advantages and disadvantages are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220503
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    Electronic state representations at molecular potential pseudocrossingsWork partially supported by National Science Foundation Grant Nos. CHE 77-20510 and CHE 80-19510 (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 971-988 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A diabatic representation is introduced to describe electronic states around adiabatic pseudocrossings, as an alternative to presently available representations. A transformation from the adiabatic to the new diabatic representation is chosen to assure well behaved diabatic potentials for arbitrary momentum coupling strengths. Parameters of the transformation are determined by minimizing momentum couplings in the pseudocrossing region. The problem of two electronic states in one relative position variable is treated in detail and is studied with a numerical model. A comparison of results of our procedure and of other available ones is given. The present developments also provide a criterion for neglecting momentum couplings based on their strength and on the range of collision energies.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220509
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    Reorganization effects in the photoelectron spectra of transition metal compounds: A Green's function study in the framework of a variable INDO hamiltonian (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 939-970 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The magnitude of reorganization energies in the photoelectron (PE) spectra of various transition metal compounds with Mn, Fe, and Ni as 3d center is studied by means of a variable INDO Hamiltonian. The Koopmans defects are analyzed as a function of the one-electron resonance integral βμνAB and as function of the one- and two-center electron-electron interaction integrals. βμνAB has the property of an inverse coupling constant; reorganization effects are enlarged with reduced βμνAB values. In the limit of very small resonance integrals a reduction of the calculated Koopmans defects due to modified localization properties of the orbital wave function is encountered. The two-center electron-electron interaction integrals γμνAB have been calculated via an exponential formula with a variable range parameter. In the limit of long-range potentials with flattened γ;μνAB gradients a significant reduction of relaxation and correlation is diagnozed; large defects are predicted in the short-range limit with steep gradients in the repulsion potential. The one-center Coulomb and exchange integrals (γμνAA, KμνAA) have been modified by a multiplicative factor. With enlarged one-center integrals enhanced Koopmans defects are encountered. The reorganization energies are determined by means of a Green's function approach with a renormalized approximation for the self-energy part.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220508
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    Bounds to atomic properties: Electric polarizabilities of lithium isoelectronic sequence ions (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 1153-1175 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Using the optimal wave functions obtained by means of the superposition of correlated configurations method, elaborated previously, static and dynamic polarizabilities and rigorous lower bounds to them have been calculated for the ground states of three-electron atoms in the lithium isoelectronic sequence (Li I-C IV). The results can be treated with considerable confidence, especially for higher members of the sequence. Furthermore, the calculated rigorous lower bounds for static polarizabilities enable us to rule out several theoretical and experimental values obtained previously. The results obtained by us are then employed to evaluate the leading unknown terms in the Z-1-type expansion for the polarizability, extending thereby our treatment to much higher members of the isoelectronic sequence.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220603
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    Symmetry analysis of sigmatropic rearrangements (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 1209-1220 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two small groups (E, σν) and (E, C2) are proposed to describe the orbital symmmetry of the whole reaction paths with respect to suprafacial and antarafacial sigmatropic rearrangements. Furthermore, the symmetries of the two small groups are extended to the systems as a many body treatment performed by Matsen.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220606
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    Calculated properties of some possible vinyl chloride metabolites (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 1271-1279 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: There is considerable evidence indicating that the carcinogenic action of vinyl chloride involves metabolic conversion to the epoxide (chlorooxirane) as the initial step. In order to learn more about its subsequent behavior, we have computed structures, energies and other properties for two different protonated forms of the epoxide, and also for two possible rearrangement products, chloroacetaldehyde and acetyl chloride. An ab initio SCF-MO procedure (GAUSSIAN 70) was used. Oxygen protonation is found to weaken both C—O bonds, the effect being greater for the bond involving the carbon bearing the chlorine. Chlorine protonation leads to a marked weakening of the C—Cl bond; this suggests a possible loss of HCl, leaving behind a carbonium ion (and possible alkylating agent or rearrangement precursor). Thus, while C—O bond breaking is doubtless an important reaction pathway for chlorooxirane, our results indicate that attention should also be focused upon the C—Cl bond; its rupture may conceivably be a key step in the biological action of vinyl chloride.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220610
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    Masthead (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210101
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  • 73
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    Large orders and summability of eigenvalue perturbation theory: A mathematical overview (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 3-25 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The study of large orders of perturbation theory in various problems is reviewed: the anharmonic oscillator, the Zeeman and Stark problems, double wells, and the like. Padé and Borel summability and path integral ideas are discussed. The rigorous results on the subject are summarized.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210103
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    Large-Order perturbation theoryWork supported in part by U.S. Department of Energy under Contrast No. DE-AS02-76ER03227. (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 105-118 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The original motivation for studying the asymptotic behavior of the coefficients of perturbation series came from quantum field theory. An overview is given of some of the attempts to understand quantum field theory beyond finite-order perturbation series. At least in the case of the Thirring model and probably in general, the full content of a relativistic quantum field theory cannot be recovered from its perturbation series. This difficulty, however, does not occur in quantum mechanics, and the anharmonic oscillator is used to illustrate the methods used in large-order perturbation theory. Two completely different methods are discussed, the first one using the WKB approximation, and a second one involving the statistical analysis of Feynman diagrams. The first one is well developed and gives detailed information about the desired asymptotic behavior, while the second one is still in its infancy and gives instead information about the distribution of vertices of the Feynman diagrams.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210107
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    Numerical estimates of the convergence of the Rayleigh-Schrödinger perturbation expansions for the energy levels of various models of the benzene molecule (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 147-151 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We estimate radii of convergence of the Rayleigh-Schrödinger perturbation expansions for various energy levels of the π-electron model of the benzene molecule, described by the Hubbard Hamiltonian in both weakly and strongly correlated limits. They are determined using a “generalized” Cauchy criterion applied to the numerically determined coefficients of the pertinent expansions.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210111
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    Estimating tunneling phenomenaSupported by U.S. NSF Grant No. 7926408. (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 199-207 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several tunneling phenomena are surveyed. A unified, rigorous treatment of them can be based on a simple technique of integration by parts coupled with growth estimates of eigenfunctions, using, for example, WKB approximations. In particular, the analysis of Harrell and Simon of the resonance widths in the hydrogen Stark effect can be simplified.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210117
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    Meaning of the perturbation theory for a class of multiple-well anharmonic oscillators (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 195-197 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is proved that the Borel sum of the Rayleigh-Schrödinger perturbation expansion eigenvalue of the triple well anharmonic oscillators p2 + x2 - 2g2nx2n+2 + g4nx4n+2, g 〉 0, n = 2.3,… is a complex eigenvalue of a different problem. Its relation with the eigenvalues of the original Hamiltonian is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210116
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    Relevance of the techniques of quantum chemistry in materials science and related areas (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 217-229 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210120
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    Size consistency corrections for configurational interaction calculations (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 259-267 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A size consistency error formula, correcting for the erratic dependence on the number of particles in a doubly substituted (or otherwise restricted) configurational interaction (CI) treatment, is derived. The formula is expressed in terms of the particle pair eneriges ∊k and the normalization integrals Δk of the corrections to the unperturbed normalized wave function. The theory as well as the results for the 1A1 ground state of H2O and the 2B1 state of H2O+ show close agreement with the coupled electron pair approach (CEPA).
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210124
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    On the axioms of quantum theory formulated as a trace algebraThis paper was presented in part at the Tarfala Workshop, Kebnekaise, Sweden, August 1978, and in part at the Sanibel-Palm Coast Symposium on the Axioms of Quantum Theory, March 1979. (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 275-353 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210126
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    Symmetry groups of chemical graphs (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 411-418 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The symmetry groups of all trees are shown to be expressible as generalized wreath products by a tree pruning algorithm. The symmetry groups of certain cyclic graphs which can be expresssed as generalized compositions are also shown to be generalized wreath products. The symmetry groups of complete multipartite graphs can be obtained in a similar manner. Character tables of symmetry groups of certain chemical graphs are also obtained.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210206
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    Semiempirical molecular orbital calculations on octahedral aquo complexes of transition metal ions: σ-donor ability of water (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 851-855 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A comparative analysis is carried out on the strengths of binding of a series of transition metal ions to a water molecule using CNDO type MO theory developed earlier. Comparative features of the energetics of metal-ligand bonds in aquo and amine complexes are also analyzed.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210510
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    Reduced local energy as a criterion for the accuracy of approximate Hartree-Fock wave functions. Application to H2O and CH4 (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 885-897 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reduced local energy EL of Rothstein and co-workers is discussed as a criterion for the local accuracy of approximate wave functions. The behavior of EL for different approximation levels is discussed. It is shown that, for particular classes of wave functions, fluctuations of EL reflect local inaccuracies of the wave function as compared to certain convergence limits. The applicability of this criterion is illustrated with approximate Hartree-Fock wave functions for water and methane.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210514
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    Virial fragments and the Hohenberg-Kohn functional (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 927-935 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Starting from the Hohenberg-Kohn functional we show that when the energy density is given as a function of ρ and ∇ρ, i.e., ξ = ξ(ρ, ∇ρ), the condition ∇ρ · n = 0 (which was found by Bader et al. to define virial fragments), appears as a natural boundary condition for the variation of this functional. We also show that when the energy density includes second order derivatives (∇2ρ) this condition is necessary but not sufficient to guarantee the vanishing of the variation. The implications of these results are discussed in the context of a density functional theory for virial fragments.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210518
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    Masthead (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210601
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  • 86
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    Variational solutions of a first-order perturbation equation (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 611-616 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The variation-perturbation method for solving a first-order equation of Rayleigh-Schrödinger perturbation theory is presented. The method consists of the combination of variational procedures and successive approximations. The recurrence formulas generate successively the higher-order approximations of the variational solutions. It is possible to obtain the almost exact solution within a few steps. The method is applied to the calculations of the polarizabilities of a one-dimensional harmonic oscillator and of the hydrogen atom, and the dipole-dipole interaction energy of two hydrogen atoms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210308
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    Trivial off-diagonal Hellmann-Feynman formulas (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 671-672 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210313
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    Uniform quality gaussian basis sets for molecular calculations. V. Property optimization: A study on H2O (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 699-710 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Energy optimization (Eo) and property optimization (PO) were performed on the H2O molecule. A definition of the “optimality” κ, a dimensionless quantity of the form \documentclass{article}\pagestyle{empty}\begin{document}$$ {\rm optimality} \equiv \kappa = \left({\sum\limits_i {\left[{\omega _i \left\langle {\hat o} \right\rangle _i - O_i } \right]^2 } } \right) $$\end{document}has been proposed where ωi is a weighting factor, 〈ǒ〉i is the computed observable, and Oi is the corresponding property measured experimentally. The minimization of κ leads to property optimization methods (POM) which is a useful alternative to energy optimization methods (EOM).
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210404
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    Complex coordinate rotation calculation of branching ratios (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 727-739 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown how branching ratios can be obtained from complex coordinate rotation calculations. The procedure is applied to a rotational Feshbach resonance in a model atom-diatom van der Waals complex which has two open channels present, and to a simple two-channel model potential problem which has been treated by other workers.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210407
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  • 90
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    Masthead (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210501
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    Perturbation theory via the Ricatti equation (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 179-190 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We present summary results of a bound-state perturbation theory for a one-space and one-time dimension nonrelativistic spinless (Schrödinger) particle, a relativistic spinless (Klein-Gordon) particle, and a relativistic spin-half (Dirac) particle in central fields due to scalar or fourth-component vector-type interactions for an arbitrary bound state. This is accomplished by the reduction of the wave equations to Ricatti form. This enables a decoupling between the pair of coupled first order differential equations on the large and small component Dirac wave functions or a decoupling of the second order differential equation in the Schrödinger or Klein-Gordon equations. All corrections to the energies and wave functions, including corrections to the positions of the nodes in excited states, are expressed in quadratures in a hierarchial scheme, without the use of either the Green's function or the sum over intermediate states. For the ground states of a Schrödinger particle, it is possible to extend this technique to multidimension in the case where the perturbation is due to noncentral fields, for example, in the problem of a nonrelativistic hydrogen atom in a linear combination of multiple fields.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210114
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    Workshop on perturbation theory at large order: List of participants (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 209-211 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210118
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    Towards a molecular theory of phase transitions in fatty acid monolayers (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 239-250 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A molecular theory of phase transitions in fatty acid monolayers at the air/water interface is proposed based on rotational ordering of molecules about their longitudinal axes. The first order statistical mechanical lattice model of Bell, Mingins, and Taylor (BMT) which is an equilibrium diluted Ising model is used to describe the monolayer behavior of some simple aliphatic carboxylic acids. The interaction energy parameters in the BMT model are adjusted to give reasonable agreement with the experimentally observed chain length dependence, and the energies thus obtained are compared with those calculated for interacting aliphatic carboxylic acid dimers by the technique of perturbative configuration interaction using localized orbitals (PCILO). It is concluded that intermolecular rotational ordering due to the anisotropy of the intermolecular potential plays a significant role in simple fatty acid monolayer phase behavior. A possible experimental test of the model is briefly described.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210122
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  • 94
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    Electronic Resource
    Masthead (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210201
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  • 95
    Electronic Resource
    Electronic Resource
    Superoperator approach to propagator approximations (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 369-398 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The superoperator formalism for matrix propagators is reviewed, with special attention to the validity of superoperator resolution of the identity. The equation of motion for the particle-hole propagator is discussed. Decoupling procedures based on inner projections and partitioning are examined showing the desirability of self-consistent approximations. The conditions under which a state can be a vacuum for a given linear manifold of operators are analyzed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210204
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  • 96
    Electronic Resource
    Electronic Resource
    Small-Angle electron scattering and electron density in carbon dioxide (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 475-485 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The total (elastic and inelastic) intensity of electrons scattered by CO2 was measured in the s range of 1 to 12 Å-1 and compared with the theoretical intensity calculated from the Hartree-Fock molecular wave function and those calculated for the independent-atom-model (IAM) molecule. In the range of s ≲ 4 Å-1 the electron correlation effect on the total scattered intensity was found to be represented by that for the IAM molecule.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210211
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  • 97
    Electronic Resource
    Electronic Resource
    Ab initio Hartree-Fock-Slater calculation of Tetrathiafulvalene (TTF) and the TTF1+ and TTF2+ ions (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 557-563 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electronic structures of TTF, TTF1+, and TTF2+ are described by means of an ab initio Hartree-Fock-Slater procedure with a double-zeta STO basis. Electronic and photoemission spectra, bonding, and charge distributions are discussed and compared to experiments and previous calculations.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210304
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  • 98
    Electronic Resource
    Electronic Resource
    General linear group approach to bivariational problems (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 591-610 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A bivariational scheme based on the general linear group of spin orbital space is presented, with the aim of obtaining approximations to the spectra of complex rotated Hamiltonians.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210307
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  • 99
    Electronic Resource
    Electronic Resource
    Evaluation of two-center overlap and coulomb integrals derived from slater-type orbitals (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 1079-1089 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The strategy for the evaluation of two-center overlap and Coulomb integrals is illustrated by using computer-generated formulas produced from 1s orbitals. There is no loss in generality as these formulas have the same structure for higher quantum numbers. For small parameter values, singularities may be removed from the formulas by expanding exponential functions and collecting coefficients of like powers by machine. Suitable terminated expansions, along with exact formulas, permit high accuracy throughout the entire possible range of parameter values.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210612
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  • 100
    Electronic Resource
    Electronic Resource
    Masthead (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560220101
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