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  • 1980-1984  (419)
  • 1982  (419)
  • Atomic, Molecular and Optical Physics  (206)
  • Physical Chemistry  (126)
  • Ultrastructure  (87)
  • Nuclear reactions
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Years
  • 1980-1984  (419)
Year
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Archives of gynecology and obstetrics 231 (1982), S. 177-184 
    ISSN: 1432-0711
    Keywords: Steroid receptor ; Ultrastructure ; Breast cancer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Receptor assay results were compared with the ultrastructure of 127 breast cancers (112 primary tumors, six recurrent lesions, nine metastases). Tumors were considered to be receptor positive if the receptor levels were ⩾ 15 fmol/mg of soluble tissue protein. Most breast cancer had heterogenous cells with different grades of ultrastructural differentiation. A prevalence of well-differentiated cancer cells and an abundance of intracytoplasmic vacuoles had a significant correlation with a positive estrogen receptor status. The correlation was better than between malignancy grades and receptor content. The type of breast cancer and the menopausal status bore no relation to receptor content. Progesterone receptors were found in well-differentiated tumors of low malignancy.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Journal of molecular medicine 60 (1982), S. 213-227 
    ISSN: 1432-1440
    Keywords: Gastrointestinal hormones ; Gastrointestinal neoplasms ; APUD cells ; Cytology ; Ultrastructure ; gastrointestinale Hormone ; gastrointestinale Tumoren ; APUD-Zellen ; Zytologie ; Ultrastruktur
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Endokrine Zellen kommen im Verdauungsapparat in Form von Mikro-Organen (Langerhans'sche Inseln) und als „diffuses endokrines epitheliales Organ“ (Feyrter), das heißt als im Epithelverband der Magendarmschleimhaut gelegene Einzelezellen vor. Diese gastro-entero-pankreatischen (GEP-) endokrinen Zellen synthetisieren neben Serotonin zahlreiche Polypeptidhormone, die zum einen systemisch wirken (Kohlenhydrat-Stoffwechsel) und zum andern der Regulierung der Verdauungstätigkeit dienen. Die vorliegende Übersicht befaßt sich vornehmlich mit der Zytologie und Zytochemie der GEP-endokrinen Zellen. Die bis heute bekannten 19 endokrinen Zelltypen werden entsprechend ihrem Verteilungsmuster nach der neuesten Nomenklatur synoptisch zusammengestellt. Außerdem werden morphologischfunktionelle Aspekte der Biologie, Pathologie und Zytogenese dieser Zellen sowie ihre Stellung innerhalb übergeordneter Systeme (APUD-Zellen, Paraneurone) diskutiert.
    Notes: Summary Endocrine cells occur in the digestive system as micro-organs (islets of Langerhans) or scattered throughout the epithelium of the gastrointestinal tract (“diffuse endocrine epithelial organ” of Feyrter). These gastro-entero-pancreatic (GEP) endocrine cells synthesize — in addition to serotonin — a great variety of polypeptide hormones, which regulate both carbohydrate metabolism and digestive processes. The present review deals mainly with cytology and cytochemistry of GEP endocrine cells. A synopsis is presented of the 19 endocrine cell types identified to date, which includes their update nomenclature and their anatomical distribution pattern. Morphological-functional aspects of cell biology, pathology, and cytogenesis of these cells and their position within superimposed systems (APUD cells, paraneurons) are discussed.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Virchows Archiv 398 (1982), S. 75-86 
    ISSN: 1432-2307
    Keywords: Bone neoplasms ; Adamantinoma ; Ultrastructure ; Immunoenzyme ; Tibia/fibula ; Keratin ; Blood group antigens ; Factor VIII-related antigen
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Adamantinoma of bone is a rare tumor, and fine structural analysis has been done in only a few cases. We report four cases studied by electron microscopy and immunohistochemical methods. Ultrastructural evaluation revealed a characteristic constellation of features, including intracellular bundles of type I microfilaments, moderate numbers of evenly dispersed mitochondria, scattered profiles of rough endoplasmic reticulum, occasional Golgi bodies and lysosomes, and scattered glycogen particles. Microvillous processes and desmosomes were identified in all tumors. Well-formed basement membranes enveloped cell clusters but did not surround individual cells. Intercellular basement membrane-like material also was found focally in pools. Ultrastructural features of endothelial differentiation, including Weibel-Palade bodies, micropinocytotic vesicles, and tight junctions, were not identified. Immunoperoxidase stains for coagulation factor VIII (von Willebrand factor) and blood group antigens were negative, whereas similar stains for keratin were positive. Our findings strongly suggest that adamantinoma is a neoplasm expressing definite epithelial, rather than endothelial, characteristics.
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Virchows Archiv 399 (1982), S. 49-59 
    ISSN: 1432-2307
    Keywords: Pituitary ; Pars tuberalis ; Gonadotrophs ; Squamous nests ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Forty autopsy pituitaries were studied to elucidate the histology, immunocytology and ultrastructure of pars tuberalis in subjects with normal and abnormal endocrine homeostasis. Pars tuberalis consisted mainly of gonadotrophs interspersed with few corticotrophs and thyrotrophs, histologically resembling those of pars distalis. Somatotrophs and lactotrophs were not identified. There were no histologic differences attributable to age or sex. In cases of glucocorticoid excess, pars tuberalis corticotrophs showed Crooke's hyalinization. Following castration or hypophysectomy, pars tuberalis gonadotrophs exhibited more intense immunostaining for FSH1 and LH than did normals. Ultrastructural analysis revealed gonadotrophs and corticotrophs showing no evidence of active secretion; immunoelectron microscopy demonstrated FSH, LH and ACTH in secretory granules. By light microscopy, squamous nests, often identified in pars tuberalis, were positive for immunoreactive keratin; cells at their periphery contained FSH, LH or ACTH, indicating derivation of nests by squamous metaplasia from gonadotrophs and corticotrophs. By electron microscopy, clusters of epithelial cells containing desmosomes and tonofilaments were surrounded by granulated gonadotrophs. Human pars tuberalis cells represent mainly a subpopulation of gonadotrophs possessing all organelles required for synthesis and storage of hormones but showing ultrastructural features of functional inactivity; the reasons for this inactivity and for the formation of squamous nests remain unexplained.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Virchows Archiv 394 (1982), S. 195-205 
    ISSN: 1432-2307
    Keywords: Hurler syndrome ; Myocardium ; Histochemistry ; Ultrastructure ; Storage of gangliosides
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Cardiac tissues obtained at post mortem examination of eight patients with the Hurler syndrome, who ranged in age from 5 to 23 years, were examined by histochemical methods and electron microscopy. Extensive myocardiocytic vacuolization and increased interstitial fibrous tissue were noted by light microscopy in all hearts. The cytoplasmic (perinuclear) vacuoles contained Luxol-fast-blue-positive substance. At the ultrastructural level, abnormal cytoplasmic organelles were present within the myocardiocytes in all patients. These organelles were of three types: zebra bodies (ZB), membranous cytoplasmic bodies (MCB) and granulomembranous bodies (GMB). As ZB and MCB are believed to represent the morphological counterpart of accumulated gangliosides, these substances rather than glycosaminoglycans appear to be stored within myocardiocytes of patients with the Hurler syndrome. The accumulation of gangliosides and the consequent damage to the myocardial substratum probably contributes to the clinically evident cardiac disease, so often observed in the patients with this disorder.
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Virchows Archiv 394 (1982), S. 255-267 
    ISSN: 1432-2307
    Keywords: Pituitary ; Adenoma ; TSH ; Ultrastructure ; Immunocytochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In a collection of 564 surgically removed pituitary adenomas, 4 cases were found to have had elevated TSH plasma levels. One of these tumors (case 1) could be classified as a highly differentiated mucoid TSH cell adenoma presenting histochemical reactions typical of, as well as electron microscopical features identical to, normal TSH cells. Immunoenzymatic studies failed to demonstrate TSH in the tumor cells. Two further adenomas (case 2 and 3) were similarly structured in many areas, but showed regions of poorer differentiation in which cells with distinct pleomorphism, irregular secretory granules, increased numbers of ribosomes and a well developed rough endoplasmic reticulum were present. In 10% of the tumor cells GH could be demonstrated immunoenzymatically, but there was no TSH. The fourth adenoma was an undifferentiated acidophilic adenoma showing pleomorphic cells having slight acidophil and partly mucoid granulations. The ultrastructure showed convoluted nuclei, increased numbers of free ribosomes as well as abundant rough endoplasmic reticulum and secretory granules which were different in size and number but distinctly of the TSH cell type. Immunoenzymatically, TSH was found in some cells, with GH in more cells. Endocrinologically, elevated levels of GH were measured in cases 2, 3 and 4 with LH being increased in case 1. Clinical and morphological correlations are discussed.
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Virchows Archiv 395 (1982), S. 169-179 
    ISSN: 1432-2307
    Keywords: Aneurysmal bone cyst ; Malignant transformation ; Osteosarcoma ; Irradiation ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Four cases of aneurysmal bone cyst, of which one became malignant 7 years after irradiation, were studied by electron microscopy. The aneurysmal bone cyst was composed of four different types of stromal cells — fibroblasts, myofibroblasts, osteoblasts, and histiocytes — and osteo-clastlike multinucleated giant cells. The surface of blood spaces was devoid of specialized endothelium, which may explain the presence of large quantities of extravasated erythrocytes. Some histiocytes contained siderosomes. The malignant lesion consisted of two main types of stromal cells, of which one had electron lucent and the other electron dense cytoplasm. The stromal cells produced osteoid and the tumour was regarded as an osteosarcoma. The multinucleated giant cells resembled those observed in aneurysmal bone cysts, but the nuclei seemed to be more often spherical. It is concluded that irradiation of the aneurysmal bone cyst may cause sarcomatous transformation in a cell capable of producing osteoid.
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Virchows Archiv 396 (1982), S. 127-140 
    ISSN: 1432-2307
    Keywords: Elastin ; Elastofibroma ; Histochemistry ; Soft tissue tumor ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Four cases of elastofibroma located in the subscapular region of 3 men aged 66, 74, and 83 years, and a woman 70 years old are reported. A correlated light and electron microscopic study including ultrastructural examination of Verhoeff's iron-hematoxylin (VIH)-stained sections was performed. Light microscopically, the elastofibromas were characterized by connective tissue built up by collagen fibers and sclerotic masses mingled with numerous fibers and globules of elastin material. In one micron thick Epon sections these elastin fibers often revealed a central axis surrounded by a mantle composed of periodic segments giving them a necklace-like appearance. The ultrastructural findings of these elastin structures, stained with VIH, and the appearance of the stroma cells and their relation to the elastin indicate that elastofibroma is a non-neoplastic reactive lesion in which elastin material is synthesized by the stromal cells and predominantly laid down around preexisting elastic fibers.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Virchows Archiv 396 (1982), S. 197-211 
    ISSN: 1432-2307
    Keywords: Chondrosarcoma ; Mesenchymal ; Myxoid ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Five cases of conventional chondrosarcomas (CS.) of graded malignancy, 3 cases of myxoid CS. and 2 cases of mesenchymal CS. were studied by electron-microscopy. The chondrocyte like tumor cells of conventional CS. were characterized by: an ovoid shape, eccentric nucleus, abundant endoplasmic reticulum with dilated cisternae of RER; cytoplasmic glycogen, lipid droplets, and filaments plus numerous thin cytoplasmic projections. The histologically high grade tumors showed fewer cytoplasmic organelles, bizarre nuclei and more prominent nucleoli than the better differentiated ones. The tumor cells of myxoid CS. were chiefly fusiform. The cells frequently presented a pattern of rows with good cellular cohesion, and scanty cytoplasmic projections. The most prominent cytoplasmic feature was a conspicuous RER. Abundant cytoplasmic filaments and cytoplasmic glycogen were also observed. The undifferentiated areas of the mesenchymal CS. showed primitive mesenchymal cells with rounded nuclei, and scanty cytoplasm which was poor in organelles and glycogen. The cytoplasmic membranes were very cohesive and cytoplasmic projections were not present. Scanty cytoplasmic filaments and conspicuous desmosome like junctions were observed. The intercellular matrix of conventional and myxoid CS. consisted of fibrils, glycosaminoglycan granules and collagen fibers. In the undifferentiated zones of the mesenchymal CS. the intercellular matrix was very scanty and did not contain collagen fibrils. The more immature cells correspond to the small undifferentiated cells of mesenchymal chondrosarcoma.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Virchows Archiv 396 (1982), S. 231-238 
    ISSN: 1432-2307
    Keywords: Mesothelioma ; Testis ; Ultrastructure ; Clear cell
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Ultrastructural features of a papillary mesothelioma arising in a hydrocele-sack are reported. The tumour cells presented numerous microvilli, desmosomes, basement membranes and abundant bundles of microfilaments, which all are hallmarks of mesotheliomas. The predominant cell type was the “clear epithelial cell”, but transitional cells and degenerative forms (foamy cells) were also found. The morphology and differential diagnosis of mesothelial tumours arising in the tunica vaginalis propria testis are discussed.
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  • 11
    Electronic Resource
    Electronic Resource
    Springer
    Virchows Archiv 397 (1982), S. 109-119 
    ISSN: 1432-2307
    Keywords: Epithelioid sarcoma ; Ultrastructure ; 5′-nucleotidase
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A case of epithelioid sarcoma was studied by electron microscopy and by light and electron microscopic enzyme histochemistry comparing with several control soft tissues. In addition to previously reported ultrastructural features, such as abundant 10 nm cytoplasmic filaments, desmosome-like cell junctions and small cystic spaces surrounded by filopodia or microvilli of the tumor cells, we encountered 10 nm cytoplasmic filaments showing electron dense condensation with a concentrically oriented or whorled pattern and a finger-print-like arrangement and 5′-nucleotidase activity of tumor cell membrane. Among the control soft tissues, 5′-nucleotidase activity was found only in synovial and endothelial cells. Both tumor and synovial cells showed no activity of adenosine triphosphatase, while marked activity of the enzyme was found in endothelial cells. These results support the concept that epithelioid sarcoma is derived from mesenchymal cells undergoing differentiation toward synovial cells during neoplastic transformation.
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  • 12
    Electronic Resource
    Electronic Resource
    Springer
    Virchows Archiv 397 (1982), S. 131-147 
    ISSN: 1432-2307
    Keywords: Colonic neoplasm ; Microcirculation ; Ultrastructure ; Pathology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The ultrastructure of the microvasculature in human colorectal adenomas and carcinomas was studied, and compared with that of normal tissue. Blood vessels in adenomas were generally of normal structure, whereas carcinoma vessels displayed a variety of structural alterations. Endothelial proliferation was frequently observed in all the eleven carcinomas examined, which confirms the reports of new vessel formation in experimental malignant tumors. The presence of fenestrations in obviously abnormal endothelium was tentatively attributed to hypoxia, vascular regression or immaturity of the cells, in spite of the fact that normal capillaries in colonic mucosa are fenestrated. Some vessels showed multilayered basement membranes, various types of activated cells containing numerous lysosomal granules, and thickened perivascular tissue. These features may be a vascular response to repeated damage or a manifestation of vascular remodelling. Dilated thin-walled vessels, which were usually found at the periphery of carcinomas, were identified as venules. Small vessels located between the closely apposed carcinoma tubules were not obviously abnormal. They were nevertheless considered to be tumor-induced vessels which had undergone differentiation. The differences in vascular morphology between adenomas and carcinomas were considered to be due to their different growth patterns, growth rates and degrees of maturity.
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  • 13
    Electronic Resource
    Electronic Resource
    Springer
    Urological research 10 (1982), S. 123-130 
    ISSN: 1434-0879
    Keywords: Prostate ; Cadmium ; Ultrastructure ; Testosterone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The effects of cadmium and nickel chloride, administered in drinking water at 5 and 50 ppm, on the rat prostate are described. Zinc concentrations in the two lobes of the gland were unaffected by the metals and no consistent changes were observed at the subcellular level by X-ray microanalysis. The ultrastructural appearance of the prostate gland in rats of varying ages was unaltered following cadmium administration at those levels, while plasma testosterone concentrations did not differ significantly in cadmium treated animals. Low levels of cadmium (5 ppm) were accumulated by the ventral lobe of the prostate, although the metal was not detectable subcellularly. The results are discussed in relation to human prostatic carcinoma.
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  • 14
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 164 (1982), S. 343-347 
    ISSN: 1432-0568
    Keywords: Preimplantation embryos ; Ultrastructure ; Effect of Li+
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary We have recently shown that LiCl in the culture medium retards cleavage of mouse preimplantation embryos without delaying their blastulation and causes the formation of blastocysts with few large cells and a reduced or absent inner cell mass (Izquierdo and Becker 1982). In this study we compare the ultrastructure of major cellular organelles of Li+-treated and control embryos. No subcellular alterations were found that correlate with the altered morphology of the blastocysts. On the basis of these results we submit that the malformation of blastocysts developed in a Li+-containing medium is the morphogenetic consequence of a retardation of cleavage coupled with a normal timing in the establishment of zonular tight junctions around the peripheral cells of the morula.
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  • 15
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 164 (1982), S. 379-385 
    ISSN: 1432-0568
    Keywords: Muscle ; Growth and Development ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Scanning electron microscopy was used to study prenatal muscle development in mouse fetuses ranging from 12 days to 18 days gestation. Some transmission electron micrographs were also used for comparison. At 12 days no myofibres were evident although at 13 days long fibres surrounded by many mononucleated cells could be seen. At 14 days bundles of primary myofibres were observed with new myofibres forming in crevices between adjacent fibres. At 16 days the primary myofibres had separated but smaller secondary myofibres could be seen forming along their surfaces. The myofibres were very compact at 18 days and often appeared fused but this was due to the basal lamina ensheathing clusters of primary myofibres with their secondaries. The scanning electron micrographs appeared to illustrate the theories of muscle development which have arisen out of the various studies employing sectioning techniques.
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  • 16
    ISSN: 1432-0568
    Keywords: Anterior pituitary cells ; Mitosis ; Rat ; Immunohistochemistry ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Mitotic rates of the six types of immunohistochemically identifiable adenohypophysial cells were histometrically calculated in colchicine-pretrated male rats 5, 17, 30 and 70 days old. Sections were stained with the antisera against rLH, rFSH, rTSH, oGH, rPRL and pACTH1–39. The mitotic growth rate of the anterior pituitary gland at 30 days of age was much higher than at other times. Mitotic growth rates of GH and PRL cells increased with advancing age, while those of ACTH-, TSH- and immunonegative cells decreased with advancing age. LH/FSH cells showed no variation in mitotic growth rate with age. Mitotic cells can be classified into six cell types based on their fine structural properties: (1) agranular cells associated with the folliculo-stellate cells; (2) ambiguous cells with scanty minute secretory granules (50–150 nm in diameter); (3) basophils with a number of small secretory granules (130–200 nm); (4) immature acidophils whose large secretory granules (130–300 nm) are sporadically scattered; (5) acidophils with numerous spherical larger secretory granules (200–300 nm); and (6) prolactin cells with large polymorphic granules. At day 5 there was a high mitotic rate of the agranular and ambiguous cells [types (1) and (2)]; at day 70 a high mitotic rate was found in immature and mature acidophils [types (4) and (5)]. The mitotic rate of basophils (type 3) was high only at day 17 and low at all other times. The mitotic rate of prolactin cells (type 6) showed a slight increment with advancing age. It is concluded that the mitotic rates of the six cell types are age-dependent.
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  • 17
    ISSN: 1432-0568
    Keywords: Ultrastructure ; Sympathetic neurons ; Immobilization ; Perichromatin granules ; Nematosomes ; Concentric lamellar bodies
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Perichromatin granules, nematosomes (threadlike bodies), or concentric lamellar bodies were rarely observed in profiles of principal ganglionic neurons in the untreated rat superior cervical ganglion. They were more frequenlty encountered in these neurons following long-term activation of the sympathetic nervous system by intermittent immobilization (6 to 18 12-h periods). The increased number of the described nuclear and cytoplasmic structures following immobilization is documented by morphometric data and discussed in relation to specific chronic neuronal hyperactivity.
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  • 18
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 56 (1982), S. 194-200 
    ISSN: 1432-0533
    Keywords: Xeroderma pigmentosum ; de Sanctis-Cacchione syndrome ; Peripheral neuropathy ; Morphometry ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Histological, ultrastructural, and morphometric studies were performed on nerve and muscle biopsies from three patients with de Sanctis-Cacchione syndrome. Sural nerves showed marked loss of the myelinated fibers, in proportion to decrease in nerve conduction velocities and in inverse proportion to the severity of the clinical symptoms, which were related to the survival length. The larger fibers were involved earlier and more markedly than the smaller. The unmyelinated fibers were also decreased in number. Electron-microscopic studies showed the presence of primary degeneration of myelin sheaths or Schwann cells. Muscle biopsies showed grouping of type I and type II fibers in all three patients. Therefore, peripheral nerve involvement in de Sanctis-Cacchione syndrome was suggested to result from chronic degeneration of the neuronal cells and Schwann cells.
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  • 19
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 57 (1982), S. 1-6 
    ISSN: 1432-0533
    Keywords: Rat ; Malnutrition ; Protein deprivation ; Peripheral nervous system ; Ultrastructure ; Degeneration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In a previous study the occurrence of nerve fibre degeneration with a distribution as in dying-back neuropathies was described in young rats subjected to severe protein deprivation (Oldfors 1981). In this study the ultrastructural appearance of the degeneration of the nerve fibres at different levels of the longitudinal tail nerves in severely protein-deprived rats has been investigated. Various structural changes were noted, the most common being bands of Büngner indistinguishable from those seen in Wallerian degeneration. In nerve fibres which were less severely affected the most common finding was shrinkage of the axon with concomitant folding of the myelin sheath. Other structural changes included axonal accumulation of 10 nm filaments or mitochondria and other cell organelles, areas of demyelination, and projections of axolemma and Schwann cell membrane into the axon. Signs of axonal regeneration occurred but were infrequent. The degenerative changes seen at various levels of the nerves support the view that the neuropathy is of distal axonal type, but the structural appearance differs from several of the toxic dying-back neuropathies.
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  • 20
    ISSN: 1432-0533
    Keywords: Ependymoma ; Rat ; Ethylnitrosourea ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Tumors of the central nervous system (CNS) in Sprague-Dawley and Lewis rats were induced transplacentally by a single intraperitoneal (IP) injection of 10–25 mg/kg ethylnitrosourea (ENU) on days 16–20 of gestation. Light-microscopic examination revealed that 22% of these tumors could be diagnosed as ependymomas, anaplastic ependymomas (ependymoblastomas), or mixed tumors revealing both oligodendroglioma and anaplastic ependymoma tissues if the criteria of accepted classifications were followed. Electron-microscopic examination, however, demonstrated that the ependymoma and the anaplastic ependymoma-like tissue in ENU-induced tumors lacked ependymal features, such as basal bodies, cilia, complicated junctional complexes, microvilli, etc. This tissue type was repetitious, always being composed of cells arranged in groups, cords, and rosette-like (pseudorosette) formations. In the pseudorosettes, the cell nuclei were polarized at the periphery and the cytoplasm contained numerous polyribosomes, occasional short microtubules and usually a few small dense-core vesicles. The center of the pseudorosettes showed numerous slender interdigitating processes interconnected by maculae adherens. The tips of these processes showed vesicular degeneration. The cells arranged in groups or cords and perivascular rosettes revealed identical ultrastructure, but they were not polarized. The present findings indicate that the socalled ENU-induced ependymomas and anaplastic ependymomas are not true ependymal tumors, but rather primitive neuroepithelial neoplasms with some features of oligodendroglioma.
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  • 21
    Electronic Resource
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    Acta neuropathologica 58 (1982), S. 39-47 
    ISSN: 1432-0533
    Keywords: BB-Wistar rat ; Diabetic distal symmetric neuropathy ; Axonal degeneration ; Teased fibers ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The distal, symmetric polyneuropathy of the spontaneously diabetic BB-Wistar rat was studied ultrastructurally and by means of teased fiber preparations. Ultrastructural findings consisted of malorientation of the axonal cytoskeleton, followed by axonal atrophy, secondary myelin breakdown and distal Wallerian degeneration. This sequence of structural changes could be confirmed by scoring of pathological abnormalities and morphometric evaluation of teased fibers. Distal sensory nerve fibers were affected earlier and more severely than motor fibers.
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  • 22
    Electronic Resource
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    Anatomy and embryology 164 (1982), S. 303-313 
    ISSN: 1432-0568
    Keywords: Catecholamine ; Histofluorescence ; Ultrastructure ; Brain stem ; Chicken
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The nucleus tegmentalis dorsalis (NTD) which may be homologous with the mammalian locus coeruleus was investigated in the chicken by means of light, fluorescence and electron microscopy. Results are summarized as follows: 1) Numerous neurons emitting green fluorescence by the Falck-Hillarp method were observed in the NTD of the chicken. By consecutive light and fluorescence microscopy of the same section it was established that these catecholamine(CA)-containing neurons clearly coincided with the cell group named nucleus tegmentalis dorsalis by Jungherr (1945). This procedure further showed that there were also non-fluorescent neurons in the NTD. 2) On the basis of electron microscopic observation, two types of neurons were recognized in the NTD: medium-(15–25 μm) and small-sized (10–15 μm) neurons. Medium-sized neurons had a round to oval nucleus with several deep infoldings and abundant organelles. From combined fluorescence and electron microscopic examination, they obviously corresponded with CA-containing neurons demonstrated by the Falck-Hillarp method. Small-sized neurons had a round nucleus surrounded by pale cytoplasm. They corresponded with non-CA-containing neurons. 3) From morphometric analysis, it was clear that CA-containing neurons contained a well-developed rough-surfaced endoplasmic reticulum and many lysosome-like dense bodies, unlike non-CA-containing neurons. This study was undertaken as the basis of a research program to elucidate the catecholaminergic projections from the NTD.
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  • 23
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    Anatomy and embryology 165 (1982), S. 97-111 
    ISSN: 1432-0568
    Keywords: Cecum ; Guinea pig ; Anatomy ; Ultrastructure ; Bacteria (microvilli)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The anatomy of the cecum of the domesticated guinea pig (Cavia apera f. procellus) was investigated at the macroscopic and microscopic levels. In situ observations, injections of the blood vascular system and the preparation of dried specimens were made to elucidate the macroscopic anatomy of the cecum. The complex mesenterial situation in the abdomen was also investigated. The guinea-pig intestinal tract is particularized by the presence of the voluminous teniated cecum, which lacks an appendix vermiformis. The stomach is relative small and simple; the large intestine does not possess teniae. Seen with the scanning electron microscope the surface topography of the cecal wall shows a pattern of irregular mounds and crevasses. The former are made up of raised ridges, often in circular or looped profiles. Correlated light microscopic observation revealed an irregularity of the mucosal surface consisting of protrusions into the cecal lumen, the circular and looped configurations of the scanning microscope image representing the entry into crypts at the light-microscopic level. The close association of bacteria to the mucosal surface is striking. Observed with the transmission electron microscope this close association takes the form of an intermicrovillar location of the bacteria. The present observations are compared to those made on other rodents and with respect to the dietary habit of the guinea pig.
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    Anatomy and embryology 165 (1982), S. 329-344 
    ISSN: 1432-0568
    Keywords: Lateral reticular nucleus ; Ultrastructure ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A systematic study of the normal synaptic patterns within the lateral reticular nucleus (LRN) of the rat revealed various synaptic relationships. Two types of axon terminals were identified according to the morphology of the synaptic vesicles contained within them. Axon terminals with round vesicles established asymmetrical synaptic contacts with the somata and all areas of the dendritic trees including somatic and dendritic appendages. Pleomorphic-vesicle terminals established symmetrical synaptic contacts on somata and their appendages and on all sizes of dendrites and their appendages. Both round and pleomorphicvesicle terminals were infrequently seen to synapse upon the somata and proximal dendrites. The round-vesicle terminals outnumbered the pleomorphic-vesicle terminals on the dendritic trees. Terminals of the en passant type were also common throughout the LRN. Both round and pleomorphic-vesicle terminals were observed simultaneously contacting the soma and one or more dendritic profiles, or two different dendritic profiles. Synaptic configurations (glomeruli) were also observed in all three divisions of the nucleus. They consisted of a large, central, round-vesicle terminal contacting a number of small-calibre dendritic processes. This arrangement was surrounded by one or more sheets of glial lamellae. Puncta adherentia were observed on the apposed membranes of adjacent cells, adjacent dendrites and adjacent axon terminals.
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  • 25
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    Anatomy and embryology 165 (1982), S. 425-435 
    ISSN: 1432-0568
    Keywords: Sertoli cells ; Development ; Ultrastructure ; Prenatal irradiation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Is the presence of germinal cells necessary for the Sertoli cells to acquire normal features? To respond to this question we have studied the development of the Sertoli cells in rats irradiated at the end of the foetal life. In the prenatal irradiated rats, the lumen of the seminiferous tubules appears later than in the control rats. The Sertoli cells show numerous flexuous apical processes, with central microtubule bundles. These processes regress progressively after the 40th day of life when the tubular lumen appears; numerous junctional complexes differentiate with the same structure as those of control animals. There are important dilatations of the intercellular spaces. The cytoplasmic organelles show a normal development up to the 40th day of life. After this period, the rough endoplasmic reticulum and the Golgi apparatus clearly regress while important dilatations appear in the smooth endoplasmic reticulum and persist in the adult animal. From the 35th day on, the basal lamina of the seminiferous tubules is irregular and multilayered. The differentiation of the Sertoli cells seems to be independent of the presence of germinal cells until the 40th day of life and presents several particularities; thereafter the Sertoli cells show signs of regression.
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  • 26
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    Acta neuropathologica 56 (1982), S. 245-249 
    ISSN: 1432-0533
    Keywords: Pituitary adenoma ; Cell culture ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A pituitary adenoma from an acromegalic female patient has been studied in cell cultures. Two populations of parenchymal cells, i.e., elongated shapes and big pale forms with irregular outlines, were distinguished light-microscopically. Ultrastructurally, three types of cells were found. Two of them contained secretory granules in varying numbers and sizes. Based on the proportion of the various cellular elements these cells were considered as counterparts of the elongated shapes being responsible for the GH secretion at different rates. The third cell type with very few secretory granules was identified with the big pale forms. Presumably, they could be exhausted GH-secreting cells. Besides fine structural characterisation, cultured cells of endocrinologically active human pituitary adenomas offer suitable models for studying some phases of exocytosis and membrane retrieval.
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  • 27
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    Acta neuropathologica 56 (1982), S. 307-310 
    ISSN: 1432-0533
    Keywords: Primary rhabdomyosarcoma ; Brain tumor ; Ultrastructure ; Basal ganglia
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Primary intracranial rhabdomyosarcoma is extremely rare. A case of primary rhabdomyosarcoma in the left basal ganglia is described in a 2-year-old boy. The investigations revealed no primary lesion elsewhere except in the brain. At the electron-microscopic level, the majority of the cells contained specific microfilamentous bundles, which were either distributed at random or organized in myofibrils identified by their cross striations with primitive Z band formation.
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  • 28
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    Acta neuropathologica 58 (1982), S. 87-94 
    ISSN: 1432-0533
    Keywords: Hypercapnia ; Rat brain ; Ultrastructure ; Cerebral edema
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary It is presently debated how much cellular acidosis contributes to brain cell damage during ischemia and hypoxia. To study the influence of acidosis occurring in the absence of energy failure, extreme hypercapnia was produced in anesthetized, artificially ventilated, and well oxygenated rats by increasing the inspired CO2 concentration until arterialPCO2 reached 150 or 300 mm Hg. At these CO2 tensions intracellular pH falls from a control value of about 7.05 to about 6.85 and 6.65, respectively. After 45 min the brains were fixed in perfusion and processed for light and electron microscopy. AtPaCO2 150 mm Hg no clear neuronal abnormality was detected, but atPaCO2 300 mm Hg some neuronal changes were observed. Notably, the nuclei showed slightly coarser chromatin than normally. In a few nerve cells mild swelling of mitochondria and dispersion of polysomes as well as detachment of ribosomes from the endoplasmic reticulum appeared. In both groups, slight to moderate astrocytic edema developed. Thus, even extreme hypercapnia, with its acompanying marked tissue acidosis, alters ultrastructure in the brain only to such a moderate extent that irreversible cell damage is unlikely. We conclude, therefore, that acidosis occurring during ischemia or hypoxia is detrimental only if pH is further lowered and/or if it occurs in conjunction with cerebral energy failure.
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  • 29
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    Archives of dermatological research 273 (1982), S. 307-318 
    ISSN: 1432-069X
    Keywords: Morphometry ; Oral mucosa ; Keratinocytes ; Cell and nuclear volume ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The aim of this investigation was to determine whether volumetric changes occurred in differentiating layers of stratified squamous epithelium. Samples of cheek pouch mucosa from 5 hamsters were obtained, prepared for electron microscopy using carefully controlled methods, and electron micrographs obtained from defined basal, spinous and granular layers of the epithelium. Stereological point counting procedures were used to determine the ratio of nucleus to cytoplasm for each of the defined cell layers. From direct measurement of nuclear profiles, major and minor axes were transformed to diameters of circles of equivalent area and it was thus possible to obtain an estimate of nuclear volume. Using the previously determined nuclear-cytoplasmic ratios the volume of cytoplasm and hence cell volume, could be estimated for the cell layers. Between basal and granular layers, nuclear-cytoplasmic ratios decreased from 0.42 to 0.08, whereas cytoplasmic and cellular volumes increased progressively from 248 to 1052 μm3 and from 352 to 1144 μm3, respectively. Nuclear axial ratios were highest in the granular layers. These methods can be used in a variety of comparative ultrastructural studies of epithelia, and will also prove valuable in generating additional biological information from more conventionally presented stereological data.
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  • 30
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    Calcified tissue international 34 (1982), S. 273-279 
    ISSN: 1432-0827
    Keywords: Odontogenesis ; Ultrastructure ; Alkaline phosphatase
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine , Physics
    Notes: Summary The ultrastructural localization and gradient of activity of alkaline phosphatase were studied with respect to cell differentiation, matrix synthesis, and matrix mineralization in the incisor and molar teeth of 4-day-old Sprague-Dawley rats. The animals were perfused intracardially at room temperature with 2.5% glutaraldehyde in 0.1M sodium cacodylate (pH 7.4) with 3–4% sucrose. The jaws were dissected, immersion-fixed for 24 h, and the incisor and molar tooth germs removed. These were demineralized in 10% EDTA in NaOH (pH 7.4) with 7% sucrose. After reactivation of the enzyme with 0.1M MgCl in Tris-maleate buffer (pH 7.4) at 4°C, the teeth were incubated for alkaline phosphatase in a medium consisting of 6 ml 3% sodiumβ-glycerophosphate, 4 ml 0.2M Tris-HCl buffer (pH 9.2), 3 ml 1.6% MgSO4, 12 ml 0.5% lead citrate (pH⋍12), and 2.1 g sucrose. The pH was adjusted to 9.2 with 0.2M HCl, the volume made up to 30 ml, and the solution centrifuged for 10 min at 5000 rpm. Control teeth were incubated in medium minus the substrate. Finally, the specimens were routinely post-fixed and embedded for sectioning and examination with a Philips 300 electron microscope. A gradient of alkaline phosphatase activity was mapped along the developing teeth in the cells of the stratum intermedium, the proximal borders of the ameloblasts, the early dentine matrix, the predentine-dentine border, matrix vesicles, and the plasma membranes of odontoblasts and subodontoblast cells. The gradient of alkaline phosphatase activity was evident in the forming tooth from the cervical loop to the crown apex and was related to the cellular events, matrix synthesis, and matrix mineralization occurring during odontogenesis.
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    Calcified tissue international 34 (1982), S. 382-390 
    ISSN: 1432-0827
    Keywords: Avian osteopetrosis ; Avian oncornavirus ; Ultrastructure ; Calcification ; Bone cells
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine , Physics
    Notes: Summary Diaphyseal tibial bone of 12.5 – 13-day and 19-day-old embryos and 20-day-old hatched chicks infected with retrovirus MAV.2-O were examined by transmission electron microscopy. The viruses were associated with lining osteoblasts and osteocytes. Whereas the infection of the osteoblast layer seemed to be a transient stage, virus association with osteocytes was a constant and main ultrastructural feature. The viruses were found either in the osteoid or in the periosteocytic space of the bone lacunae. They arose from dense cytoplasmic areas located near the cell plasmalemma via a budding process. The newly budded virus particles often had a large tail or a fine stalk-like process lost in the extracellular space. The viruses underwent calcification by deposition of inorganic material and were incorporated in the bone trabeculae. No production of virus was observed in typical osteoclasts with well-differentiated ruffled borders. The viral-induced avian osteopetrosis seemed to result from increased bone deposition through stimulation of osteoblast and osteocyte activities, whereas osteoclastic bone resorption seemed to be undisturbed.
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    Experimental brain research 48 (1982), S. 137-143 
    ISSN: 1432-1106
    Keywords: GABA uptake ; Radioautography ; Ultrastructure ; Oculomotor nucleus ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The uptake of tritiated γ-aminobutyric acid (3H-GABA) in the oculomotor nucleus of the cat was studied, using light and electron microscopic examination of radioautograms after intracerebral in vivo administration of the amino-acid. A glial uptake by oligodendrocytes was seen together with a neuronal uptake of the tracer in a certain type of axon terminals found in synaptic contact with both dendrites and soma, some of them exhibiting all the ultrastructural features of motoneurons. Previous neurochemical, electrophysiological and immunocytochemical studies indicate that GABA might well be the inhibitory neurotransmitter in the vestibuloocular reflex arc. The present results show that a morphological substrate exists for the presumed postsynaptic GABAergic inhibition of ocular motoneurons, at least in the oculomotor nucleus of the cat.
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    Archives of toxicology 51 (1982), S. 79-89 
    ISSN: 1432-0738
    Keywords: Trialkylphosphorothioates ; Rat ; Lung ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Various trialkylphosphorothioates occur as impurities in many organophosphorus pesticides. In addition to the immediate, cholinergic symptoms usually associated with the toxicity of organophosphorus compounds an oral LD50 dose of O,S,S-trimethyl phosphorodithioate or O,O,S-triethyl phosphorothioate to rats, resulted in the delayed development of lung lesions and often death within 4 days. This study attributes the late crisis to impaired lung function resulting from massive alveolar oedema and cellular responses to the selective destruction of type I pneumocytes. Proliferation of type II pneumocytes produced an epithelium of very large cells which resulted in a thick blood/alveolus barrier and also occluded much of the alveolar lumen. Debris from the type I pneumocytes was liberated into the alveolar lumen resulting in leukocytic infiltration of the interstitial tissue and an increase in the number of alveolar macrophages. The lung morphology of animals surviving the crisis period returned to normal within a further 4 days with the transformation of many hypertrophic type II pneumocytes into type I alveolar lining cells.
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  • 34
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    Archives of microbiology 133 (1982), S. 11-19 
    ISSN: 1432-072X
    Keywords: Cyanobacteria ; Ultrastructure ; Mastigocladus laminosus ; Fischerella ; True branching
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The morphology and ultrastructure of the thermophilic cyanobacteriumMastigocladus laminosus were examined by scanning and transmission electron microscopy. Mature cultures consisted of relatively old, wide filaments that branched frequently to form younger, thinner filaments. The cells of the younger filaments had a consistently cylindrical morphology, while those of older filaments were rounded and pleomorphic. The internal ultrastructure of the cells depended somewhat on their age. As young cells became larger and wider, their thylakoids underwent slight rearrangement and spread out toward the center of the cytoplasm. Polyphosphate bodies, carboxysomes (polyhedral bodies), and lipid-body-like structures increased in number as the cells aged, but ribosomes and cyanophycin granules were depleted. Cell division involved septum formation followed by ingrowth of the outer membrane and sheath. Cells in older filaments were separated from each other by a complete layer of sheath material. Septum formation in older cells was also seen to occur parallel to the long axis of the filament, thereby confirming that true branching took place.
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  • 35
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    European archives of psychiatry and clinical neuroscience 232 (1982), S. 407-426 
    ISSN: 1433-8491
    Keywords: Fetal neurolipidosis ; Ultrastructure ; Prenatal diagnosis ; Fetale Neurolipidose ; Ultrastruktur ; Pränatale Diagnose
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Nach positiver enzymatischer Pränataldiagnose aus der Amnionzellkultur lieferte die morphologische Untersuchung von 10 Feten (19.–25. Schwangerschaftswoche) mit sechs verschiedenen Neurolipidosen (Sphingolipid-Speicherkrankheiten) bei 9 Feten ein positives Ergebnis, wobei der nicht immer optimale Erhaltungszustand der fetalen Gewebe nach therapeutischer Abruptio in Kauf genommen werden mußte. Die Ultrastruktur der quantitativ meist noch geringen Lipidspeicherprozesse in Gehirn oder viszeralen Organen glich qualitativ jener der postnatalen Speicherprozesse: GM2-Gangliosidose Type 2; Nachweis von „menbranous cytoplasmic bodies“ lysosomalen Ursprungs in Fortsätzen von Nervenzellen des Groß-hirns. Morbus Krabbe; Auftreten von einkernigen und mehrkernigen Speicherzellen, z. T. mit Gefäßbeziehung, im Rückenmark. In den Speicherzellen traf man auf spieß- oder lamellenförmige, teils auch fädig strukturierte Einschlußkörper. GM1-Gangliosidose Typ 1; in Nervenzellen des Hirnstamms Vorkommen intrazytoplasmatischer lysosomaler Speicherkörper vom „Zebra“-Typ, in der Milz fanden sich durch zahlreiche, kaum strukturierte Vakuolen geblähte Speicherzellen. Metachromatische Leukodystrophie; im Gegensatz zu Literatur-Befunden waren keine Speicherprozesse im fetalen Hirn und Rückenmark, jedoch starke Speicherungen in den Nierentubuli in Form multilamellärer (zirkulär, parallel oder unregelmäßig geschichteter) Speicherkörper, teils mit Prävalenz in den Zellen mit Mikrovilli, nachweisbar. Fluoreszenzmikroskopisch war metachromatisches Material in Nierentubuli und Sammelrohren, ferner auch in der Leber (Grenze der Glissonschen Dreiecke zum Parenchym) darstellbar. Morbus Niemann-Pick Typ C; große Nervenzellen des Rückenmarks und der Stammganglien enthielten zahlreiche Myelinfiguren-artige Einschlußkörper, die den postnatalen lysosomalen Speicherkörpern in Nervenzellen bei dieser Erkrankung ähneln. Morbus Gaucher; der erst 19 Wochen alte Fet zeigte trotz biochemisch eindeutigen Defekts der Glucocerebrosidase-Aktivität noch keine Speicherphänomene. Die bereits pränatal oft deutliche morphologische Manifestation der Speicherprozesse bei Neurolipidosen zeigt, daß die postnatale Latenz der klinischen Erscheinungen während mehrerer Monate (bisweilen 1–2 Jahre) einem hohen Grad an zellulärer Kompensationsfähigkeit entspricht.
    Notes: Summary After positive prenatal enzymic diagnosis of different neurolipidoses therapeutic abortion was carried out in the 19th to 25th week of pregnancy. Ten delivered fetuses were studied ultrastructurally and in nine of them positive results were obtained, although in some cases one had to accept relatively poor structural conservation of fetal tissues. The ultrastructure of the quantitatively small lipid storage effects qualitatively resembled that of the postnatal stages with some exceptions of localization. In fetal GM2-gangliosidosis type 2 (variant 0) concentric menbranous cytoplasmic bodies were detected in the brain cortex. In Krabbe's disease the myelinated regions of the spinal cord showed scattered storage (globoid) cells, sometimes closely related to blood vessels, which contained isolated or stranded tubular or spicular inclusions. In GM1-gangliosidosis type 1 neurons of the brain stem showed lamellar inclusions structured as zebra bodies, and splenic histiocytes exhibited numerous almost clear cytoplasmic vacuoles. In fetal metachromatic leukodystrophy the CNS including myelinated regions was essentially free of morphologic lipid storage effects. However, many kidney tubules cells contained great numbers of irregular or roughly parallel stacks of membranes. These inclusions may be equivalent to “tuffstone” bodies. In one fetus the bodies were restricted to tubular cells bearing microvilli. Fluorescent microscopy of arcus of the kidney tubule showed excess amounts of metachromatic material. Less of this material was demonstrable in the envelope layer of hepatic Glisson triangles. In the fetus with Niemann-Pick disease type C large neurons of the basal ganglia and the spinal cord were filled with membranous inclusions that were similar to myelin-shaped bodies rather than to solid membranous bodies. The 19-weeks-old fetus with enzymically proven Gaucher disease was free of ultrastructural lipid storage effects. Most but not all of the morphological findings in the fetuses with neurolipidoses were in accordance with published results.
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    Virchows Archiv 398 (1982), S. 101-108 
    ISSN: 1432-2307
    Keywords: Rhabdoid tumor ; Histology ; Ultrastructure ; Prognosis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Clinical and histopathological features of two cases of malignant rhabdoid tumor of the kidney are presented. One of these cases was also studied by electron microscopy. Histologically, both tumors consisted of an admixture of undifferentiated polygonal or elongated cells and cells with abundant eosinophilic cytoplasm frequently containing hyaline globular structures. Ultrastructurally, these cytoplasmic inclusions were composed of large masses of actin-size and intermediate-size filaments. The poor prognosis of this type of tumor is emphasized and histological criteria for differential diagnosis from other malignant renal tumors of childhood and adolescence are discussed.
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  • 37
    ISSN: 1615-6102
    Keywords: Anemia phyllitidis ; Chloroplast ; Gametophyte ; Metronidazole ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Metronidazole inhibits cell division in gametophytes of the fernAnemia phyllitidis without changing morphogenetic patterns. Simultaneously the sensitivity of the prothallia against gibberellins which substitute for the natural sexual pheromone “antheridiogen A”, is increased. The inhibition of cell division is accompanied by a loss of chlorophyll and by severe changes in the ultra-structure of the chloroplasts.
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  • 38
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    Protoplasma 113 (1982), S. 189-192 
    ISSN: 1615-6102
    Keywords: Brassica napus ; Membrane ; Nucleolus ; Nucleus ; Ultrastructure ; Vacuole
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Vacuole-like structures were found in the nuclei of root tip cells ofBrassica napus. The cells containing the unusual nuclear inclusions were found to be adjacent to zones of degenerating cells. Such groups of cells occurred irregularly in the meristematic regions of the young root tips. The possibility that they represent changes which have occurred in old seeds is discussed. The “vacuole-like” structures seen in the cells adjacent to the degenerating zones were bounded by a membranous layer 12 nm thick. This is thicker than most cellular membranes. The “vacuoles” frequently contained inclusions and showed similarities to protein bodies reported elsewhere. The structures are thought to represent rearrangements of cell products which may have accumulated through an imbalance of metabolism in consequence of the imminent cell degeneration.
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  • 39
    ISSN: 1615-6102
    Keywords: Aspergillus nidulans ; Aspergillus giganteus ; Hyphal apex ; Ultrastructure ; Woronin body
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary The hyphal tip ultrastructure ofAspergillus nidulans andAspergillus giganteus indicates that their apical organization is very similar to that found in other filamentous fungi. Both species have an area immediately behind the hyphal apex free of all large organelles and containing a high concentration of vesicles. InA. giganteus only one size class of vesicle is clearly evident, with a mean diameter of 72 nm. InA. nidulans two size classes of vesicle were found, with mean diameters of 75 nm and 31 nm. A Spitzenkörper is evident inA. nidulans as an area very close to the tip containing only the smaller vesicles. InA. giganteus one or more apparently mature Woronin bodies were found within the first 1 μm of some hyphal apices. The possible significance of their presence is discussed.
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  • 40
    ISSN: 1615-6102
    Keywords: Meiosis ; Microtubules ; Polarity ; Ultrastructure ; Mosses
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary An extensive system of microtubules develops during meiotic prophase in the mossRhynchostegium serrulatum (Hedw.)Jaeg. &Sauerb. Development of the cytoskeleton can be traced to early prophase when the nucleus is acentric and the single plastid divides into four plastids. The cytoskeletal microtubules are associated with equidistant positioning of the four plastids at the distal tetrad poles and with migration of the nucleus to a central position in the sporocyte. The cytoskeleton, which interconnects plastids and encloses the nucleus, contributes to the establishment of moss sporocyte polarity. Just prior to metaphase I evidence of the prophase cytoskeleton is lost as the bipolar metaphase I spindle develops in association with discrete polar organizers located in opposite cleavage furrows between plastids.
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  • 41
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    Protoplasma 113 (1982), S. 10-22 
    ISSN: 1615-6102
    Keywords: Diatom ; Motility ; Mucopolysaccharide ; Secretion ; Staining ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Generation of movement in benthic diatoms is thought to be intimately associated with secretion at the raphe, a slit in the silica cell wall. The presence and distribution of extracellular substances and their source was investigated cytochemically by transmission electron microscopy. Extracellular material, possibly-acid mucopolysaccharide, was observed consistently within the entire length of the raphe of both valves and also as a sheath enveloping the silica frustule. Such quantities of extracellular material are absent in conventionally fixed motile diatoms. Numerous cytoplasmic vesicles, with fibrillar contents, distributed peripherally but concentrated along the raphe and at the cell poles, react strongly with a polysaccharide specific stain; their distribution in the cell and polysaccharide content suggest these may be the source of raphe and sheath material. Results support the most recent theories on the mechanism of locomotion in outline only; the details cannot be clarified. Localization procedures using alcian blue and silver staining of peroxidised sections are discussed briefly.
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  • 42
    ISSN: 1615-6102
    Keywords: Fungi ; Gilbertella persicaria ; Membranes ; Mitochondria ; Organelle isolation ; Plasma membrane ; Ultrastructure ; Vacuoles
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Methods are described for isolating and identifying subcellular membranes from walled hyphae ofGilbertella persicaria. Differences in thickness and symmetry of membranes and in contents of vesicles were used to distinguish different types of membranes. Mitochondria, vacuoles, plasma membrane, and vesicles with attached ribosomes from homogenized germlings equilibrated at the 1.2/1.4 M interface in discontinuous sucrose gradients. Accelerated flotation in centrifuged Ficol-sucrose gradients resulted in the additional separation of the mixed membranes into three fractions: one contained predominantly intact mitochondria, another was composed of vacuoles and vesicles coated with ribosomes, and a third was enriched in plasma membranes. Based upon morphometric analysis, these fractions contained 92% mitochondria, 53% vacuoles, and 89% plasma membranes, respectively. The source of vesicles coated with ribosomes was investigated since rapidly growing hyphae ofG. persicaria contained little rough endoplasmic reticulum as compared with other classes of membranes. Reconstruction from electron micrographs of mitochondrial fragmentation and vesiculation suggested that most of the ribosome-coated vesicles originated from disrupted mitochondria rather than from rough endoplasmic reticulum. The study demonstrates the utility of ultrastructural markers to identify membranesin vitro independent of, or as an adjunct to, cytochemical and biochemical markers.
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    Protoplasma 112 (1982), S. 26-36 
    ISSN: 1615-6102
    Keywords: Aneilema ; Commelina ; Cytochemistry ; Evolution ; Papillae ; Pollination ; Secretion ; Stigmas ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary The stigmas of species inAneilema andCommelina are trifid and comprise elongate papillae. Progressive degeneration of papular cells is observed in stigmas from open flowers and at anthesis papillae may be moribund and collapsed. Fluid emanating from the hollow style flows onto the surface through ruptures in the cuticle at the interpapillar junctions into the interstices at maturity. This secretion stains positively for protein. Stigmas are of the “wet” type. The cuticle overlying the papillar cells is ridged and at the final stages prior to flowering this cuticle becomes detached from the underlying cellulosic wall. The sub-cuticular space so formed is filled with secretion. InAneilema species detachment of cuticle is at the papillar tip and along the lateral walls. InCommelina species the anticlinal walls of adjacent papillae are strongly attached for much of their length and thus detachment of cuticle is restricted to the papillar tip. The cell wall at the tip in both genera may proliferate forming a rudimentary transfer-cell type wall. The secretion is considered to be produced by the papillar cells. It is PAS positive but fails to stain for protein and in both the light and electron microscopes appears heterogenous. Pollen attachment, hydration, germination and early tube growth are very rapid following self-pollination, the pollen tubes entering the neck of the style within ten minutes of attachment. A unique character combination involving pollen and stigmas in these genera indicates a monophyletic origin.
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    Protoplasma 112 (1982), S. 81-91 
    ISSN: 1615-6102
    Keywords: Didymium iridis ; Microcyst-encystment ; Ultrastructure ; Differentiation ; Myxomycete
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Myxamoebae ofDidymium iridis were removed from the bacterial food source and induced to encyst by transfer to 10 mM phosphate buffer. After 24 hours of induction approximately 90% of the myxamoebae had differentiated into microcysts. The kinetics of encystment were not significantly affected by pH or osmolarity of the encystment medium. Early stages of encystment were distinguished by the appearance of autophagic vacuoles and an extracellular “slime-like” sheath. The outer wall layer, consisting of dense fibrils, was unevenly deposited after 4 hours. An electron-lucent, second wall layer appeared between 5–10 hours followed by a densely packed, third wall layer adjacent to the plasma membrane. Wall formation appeared to involve smooth-membraned vesicles of possible Golgi origin. The vesicle contents and outer wall layer reacted with the periodic acid-silver methenamine stain for polysaccharide. The density of intramembrane particles of the protoplasmic fracture face increased during encystment with a gradual formation of aggregates of particles.
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  • 45
    ISSN: 1615-6102
    Keywords: Discophrya ; Tentacle contraction ; Cations ; Calcium ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Discophrya collini is a suctorian protozoan with contractile tentacles containing a microtubule-lined canal and microfilaments. The effects of a range of cations on tentacle contraction and ultrastructure have been determined. Treatment with 80 mM CaCl2 and 95 mM MgCl2 causes contraction to 28% and 57% of the control length respectively. Re-extension takes over 4 hours in the culture medium, but CaCl2-treated tentacles are re-extended after a 5 minutes treatment with 10−2 M EDTA or 5 × 10−3 M EGTA. CuCl2 causes a significant contraction at 10−5 M (to 77%); LaCl3 at 10−4 M (to 65%); ZnCl2 at 10−2 M (to 65%), but BaCl2, CoCl2, MnCl2, NiCl2, and SrCl2 cause significant changes only at 10−1 M. The cytoplasm of CaCl2-treated cells contains two forms of membraneous structures when viewed in TEM; that of MgCl2-treated cells reveals granular areas of medium electron density. None of these features are seen in control cells. The microtubules of the tentacle canal appear to be intact upon its retraction into the cell with no change occurring in the numbers or relative positions of the microtubules. The tentacle cortex is wrinkled. It is suggested from this and previous work that tentacle contraction may be mediated by a microfilament-based mechanism, and that calcium may be involved.
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  • 46
    ISSN: 1615-6102
    Keywords: Fungus ; Zoospore ; Ultrastructure ; Membranes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Determining how the orientation and association among organelles are maintained within zoospores of theChytridiales is important to understanding the control of zoospore motility. Zoospores of the aquatic fungi,Chytriomyces aureus andC. hyalinus, contain microbody-lipid globule complexes with an elongate microbody adjacent to the portion of a lipid globule facing the cell's interior and a fenestrated cisterna (the rumposome) opposed to the surface of the lipid globule toward the plasma membrane. Mitochondria are intimately associated with the microbody. Electron microscopy of the microbody-lipid globule complex fixed in glutaraldehyde and osmium tetroxide, with or without tannic acid, reveals cross-linking bridges connecting the rumposome to the plasma membrane, to the microbody, and to microtubules of the rootlet extending from the kinetosome. It is concluded that these bridges are responsible, at least in part, for the consistent location of the microbody-lipid globule complex in the zoospore body. The possible role of the rumposome as a receptor organelle is discussed.
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  • 47
    ISSN: 1615-6102
    Keywords: Secretion ; Vesicles ; Ultrastructure ; Cultured cells
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Callus-derived suspension cultures of oats dramatically increase the viscosity of the culture media after one month in culture. Colorimetric assays for sugars and protein, as well as measurements of viscosity, suggest that the released material is a long-chain polysaccharide, probably a pectinaceous substance. These cells grow slowly in liquid culture, yet despite their low cell density, they are able to increase the viscosity of the media several fold within seven days after media transfer. Ultrastructural observations show that oat cells have features common to actively-secreting cells; especially evident are numerous dictyosomes with hypertrophied cisternae. Using a combination of filtering and centrifugation techniques we were able to recover large numbers of intact secretory vesicles. The interior of the vesicles stain with periodic acid-silver hexamine, and colormetric analysis of the vesicle pellet for total sugars confirms the presence of polysaccharides in this vesicle fraction. Because of the uniformity of these cells, the high rate of secretion, and the accessability of a large vesicle population, this culture system is'a useful model for studying the secretory process in plant cells.
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  • 48
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    European journal of applied physiology 48 (1982), S. 117-126 
    ISSN: 1439-6327
    Keywords: Hypertrophy ; Bodybuilders ; Fast and slow twitch fibres ; Ultrastructure ; Skeletal muscle
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Muscle ultrastructure of a group of subjects possessing extreme hypertrophy was compared with that of a control group which had undergone 6 months of heavy resistance training. Two needle biopsies were taken from triceps brachii of two international calibre powerlifters and five elite bodybuilders. In addition, samples were taken from five healthy volunteers before and after 6 months of training of the elbow extensors. One biopsy was prepared for electron microscopy and analyzed stereologically, and the other was stained for myosin ATPase activity and photographed under the light microscope. Despite large differences in elbow extension strength and arm girth there was no significant difference in fibre areas or percentages of fibre types between the elite group and the trained controls. This suggests that the elite group possessed a greater total number of muscle fibres than the controls did. Mitochondrial volume density of the elite group was similar to that of the control group following training but significantly less (p〈0.05) than the pretraining control measurements. Myofibrillar volume density was significantly lower and cytoplasmic volume density significantly higher in the elite group than in the trained controls. There was a considerably higher incidence of structural abnormalities including central nuclei and atrophied fibres in the elite group than in the control group, which might possibly have been associated with the use of anabolic steroids by the elite group.
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  • 49
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    European archives of oto-rhino-laryngology and head & neck 234 (1982), S. 167-173 
    ISSN: 1434-4726
    Keywords: Vitamin A deficiency in rats ; Ultrastructure ; Acoustic sensory receptor ; Ganglion cell ; Vitamin A deficiency in alcoholic liver disease ; Auditory dysfunction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary After feeding young rats a diet deficient in vitamin A, we examined the inner ear with the electron microscope. There were changes in the cuticle of the outer and inner hair cells. Furthermore, there were changes in the reticular system of the intermediate zone and massive degenerative changes in the ganglion cells of the VIII nerve. In a second experiment with older animals we found no significant changes in the sensory cells, though there was new bone formation in Rosenthal's canal and damage to the ganglion cells, of a lesser extent than was evident in the first experiment, however. In a further clinical study, we carefully chose human subjects suffering from alcoholic liver disease who also had a negative history of ear infection, noise exposure, head injury and use of streptomycin. Normal auditory function in the family was also a criterion. A decreased auditory function associated with low vitamin A levels was found in these patients. Those with liver disease showed not only a significant auditory dysfunction in the higher frequencies, but as well a poorer performance in the tone decay test. They were compared to a control group with normal hepatic, renal and thyroid status.
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  • 50
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    European archives of oto-rhino-laryngology and head & neck 236 (1982), S. 27-39 
    ISSN: 1434-4726
    Keywords: Intracellular receptor potentials ; Synaptic potentials ; Ultrastructure ; Bilateral afferent-efferent control ; Reptilian labyrinth
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Mechano-electric transduction and neuronal transmission were studied in sensory systems ascending from and descending to single receptor cells of the labyrinth organs in submammalian vertebrates. The animals were young crocodiles (Caiman crocodilus), geckos (Gekko gecko, Tarentola mauritanica), and turtles (Pseudemys scripta elegans, Chinemys reevesii). Intracellular receptor potentials from the apical region of the hair cell (or from the ciliary surface) were recorded in the ampullar, macular, and papillar sensory cells. These single-cell responses are, within limits, proportional to stimulus amplitude, frequency, or phase and are bidirectional in that they show depolarization by kinociliopetal stereociliar displacement and hyperpolarization by kinociliofugal displacement. Synaptic potentials (presynaptic from the basal region of the hair cell, postsynaptic from the contacting nerve endings) were recorded in the utricular, saccular, and lagenar neuroepithelia with electron-optic localization of the in situ fixed microelectrode tip. As local excitatory or inhibitory processes, respectively, they follow the stimulus and receptor potential with latency and with nonlinear distortion. Action potentials (spikes), as synchronized by the excitatory synaptic potentials, were recorded from single nerve fibers or bipolar cells, related to ampullar, macular, or papular receptor units. Unit responses and synaptic potentials were recorded from the first, second, and following centripetal and central neurons of the ascending systems, or from neurons of the descending systems in the brain stem or from centrifugal neurons. Such records were achieved during adequate mechanical or acoustical stimulation of the different receptor systems, with additional electrical stimulation, uni- or bilaterally. Thus, the influence of centripetal-centrifugal bilateral interaction on the receptor functions was measured, as inhibition or disinhibition, respectively. The input-output relations of these sequential stages of information transfer were plotted as histograms of different types, as characteristic curves, power spectra, or by correlation operations, with or without feedback, from the different systemic levels.
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  • 51
    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.
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  • 52
    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.
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  • 53
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    International Journal of Quantum Chemistry 21 (1982), S. 899-903 
    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.
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  • 54
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    International Journal of Quantum Chemistry 21 (1982), S. 905-915 
    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.
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  • 55
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    International Journal of Quantum Chemistry 21 (1982), S. 943-943 
    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
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  • 56
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    International Journal of Quantum Chemistry 22 (1982), S. 183-190 
    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.
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  • 57
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    International Journal of Quantum Chemistry 22 (1982) 
    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
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  • 58
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    International Journal of Quantum Chemistry 22 (1982), S. 241-251 
    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.
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  • 59
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    International Journal of Quantum Chemistry 22 (1982), S. 289-292 
    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.
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  • 60
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    International Journal of Quantum Chemistry 22 (1982), S. 351-365 
    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.
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  • 61
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    International Journal of Quantum Chemistry 22 (1982), S. 415-420 
    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.
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  • 62
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    International Journal of Quantum Chemistry 22 (1982), S. 435-440 
    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.
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  • 63
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    International Journal of Quantum Chemistry 22 (1982), S. 441-441 
    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
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  • 64
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    International Journal of Quantum Chemistry 22 (1982), S. 459-484 
    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.
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  • 65
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    International Journal of Quantum Chemistry 22 (1982), S. 547-556 
    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.
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  • 66
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    International Journal of Quantum Chemistry 22 (1982), S. 293-298 
    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.
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  • 67
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    International Journal of Quantum Chemistry 22 (1982), S. 307-330 
    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.
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  • 68
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    International Journal of Quantum Chemistry 22 (1982), S. 385-395 
    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.
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  • 69
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    International Journal of Quantum Chemistry 22 (1982), S. 429-431 
    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
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  • 70
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    International Journal of Quantum Chemistry 22 (1982), S. 443-443 
    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
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  • 71
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    International Journal of Quantum Chemistry 22 (1982), S. 537-545 
    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.
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  • 72
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    International Journal of Quantum Chemistry 22 (1982), S. 575-582 
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    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'.
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    International Journal of Quantum Chemistry 22 (1982), S. 661-662 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    International Journal of Quantum Chemistry 22 (1982), S. 681-690 
    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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  • 75
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    International Journal of Quantum Chemistry 22 (1982), S. 775-782 
    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.
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  • 76
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    International Journal of Quantum Chemistry 22 (1982) 
    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
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  • 77
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    International Journal of Quantum Chemistry 22 (1982), S. 871-888 
    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.
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  • 78
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    International Journal of Quantum Chemistry 22 (1982), S. 971-988 
    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.
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  • 79
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    International Journal of Quantum Chemistry 22 (1982), S. 939-970 
    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.
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  • 80
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    International Journal of Quantum Chemistry 22 (1982), S. 1153-1175 
    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.
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  • 81
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    International Journal of Quantum Chemistry 22 (1982), S. 1209-1220 
    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.
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  • 82
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    International Journal of Quantum Chemistry 22 (1982), S. 1271-1279 
    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.
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  • 83
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    International Journal of Quantum Chemistry 21 (1982) 
    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
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  • 84
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    International Journal of Quantum Chemistry 21 (1982), S. 3-25 
    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.
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  • 85
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    International Journal of Quantum Chemistry 21 (1982), S. 105-118 
    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.
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  • 86
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    International Journal of Quantum Chemistry 21 (1982), S. 147-151 
    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.
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  • 87
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    International Journal of Quantum Chemistry 21 (1982), S. 199-207 
    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.
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  • 88
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    International Journal of Quantum Chemistry 21 (1982), S. 195-197 
    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.
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  • 89
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    International Journal of Quantum Chemistry 21 (1982), S. 217-229 
    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
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  • 90
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    International Journal of Quantum Chemistry 21 (1982), S. 259-267 
    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.
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  • 91
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 92
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    International Journal of Quantum Chemistry 21 (1982), S. 411-418 
    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.
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  • 93
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    International Journal of Quantum Chemistry 21 (1982), S. 851-855 
    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.
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  • 94
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    International Journal of Quantum Chemistry 21 (1982), S. 885-897 
    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.
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  • 95
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    International Journal of Quantum Chemistry 21 (1982), S. 927-935 
    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.
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  • 96
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    International Journal of Quantum Chemistry 21 (1982) 
    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
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  • 97
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    International Journal of Quantum Chemistry 21 (1982), S. 611-616 
    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.
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  • 98
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    International Journal of Quantum Chemistry 21 (1982), S. 671-672 
    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
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  • 99
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    International Journal of Quantum Chemistry 21 (1982), S. 699-710 
    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).
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  • 100
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    International Journal of Quantum Chemistry 21 (1982), S. 727-739 
    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.
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