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  • Electronic Resource  (199)
  • 1985-1989  (199)
  • 1970-1974
  • 1920-1924
  • 1987  (199)
  • Biochemistry  (133)
  • Electron microscopy
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  • Electronic Resource  (199)
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  • 1985-1989  (199)
  • 1970-1974
  • 1920-1924
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  • 1
    Electronic Resource
    Electronic Resource
    Interaction of polymorphonuclear leukocytes with calcium pyrophosphate dihydrate crystals deposited in chondrocalcinosis cartilage (1987)
    Springer
    Rheumatology international 7 (1987), S. 217-221 
    Details
    ISSN: 1437-160X
    Keywords: Chondrocalcinosis ; Calcium pyrophosphate dihydrate crystals ; Polymorphonuclear leukocyte ; Articular cartilage ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Electron microscopy was used to investigate the characteristics of calcium pyrophosphate dihydrate (CPPD) crystals in chondrocalcinosis (pseudogout syndrome). Crystals in midzone cartilage were frequently seen adjacent to chondrocytes. Great variation in crystal size and shape was observed. Most of the pyrophosphate crystals that had been phagocytosed by polymorphonuclear leukocytes of synovial fluid from patients with acute pseudogout were small (≦1 μm), indicating that small crystals can cause intense inflammation. Large numbers of polymorphonuclear leukocytes became attached to the eroded articular surface and phagocytosed microcrystals. Interaction of polymorphonuclear leukocytes with CPPD crystals in the superficial region of articular cartilage may stimulate the release of inflammatory mediators.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00541380
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  • 2
    Electronic Resource
    Electronic Resource
    Invasion of campylobacter-like organisms in the duodenal mucosa in patients with active duodenal ulcer (1987)
    Springer
    Journal of molecular medicine 65 (1987), S. 144-146 
    Details
    ISSN: 1432-1440
    Keywords: Campylobacter pyloridis ; Duodenal ulcer ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The ultrastructure of campylobacter-like organisms found within duodenal biopsy specimens from 7 of 24 patients (28%) with active duodenal ulcer is described. Their curved shape and variable size are similar to what has previously been reported in descriptions of light microscopies. The organisms were found at the edge of active duodenal ulcers exclusively near neutral-mucous producing antral cells, to which they can adhere. The presence of these bacteria within cells and in the intercellular fluid implies that they can penetrate through the cell membrane or through tight intercellular junctions. The occurrence of these bacteria as well as numerous polymorphonuclear leukocytes in the afflicted regions suggests that the bacteria originally described by Warren and Marshall are indeed pathogenic and that their influence on ulcer healing should be included in designing treatment protocols.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01728609
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  • 3
    Electronic Resource
    Electronic Resource
    Characteristic views of prokaryotic 50S ribosomal subunits (1987)
    Springer
    Journal of molecular evolution 26 (1987), S. 347-357 
    Details
    ISSN: 1432-1432
    Keywords: Ribosome structure ; Electron microscopy ; Image analysis ; Evolutionary lineages
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Multivariate statistical analysis and classification techniques are powerful tools in sorting noisy electron micrographs of single particles according to their principal features, enabling one to form average images with an enhanced signal-to-noise ratio and a better reproducible resolution. We apply this methodology here to determining the characteristic views of the large (50S) ribosomal subunits from the eubacteriumEscherichia coli and the archaebacteriaMethanococcus vannielii, Sulfolobus solfataricus, andHalobacterium marismortui. Average images were obtained of the subunit in the common crown and kidney projections, but views of the particle in orientations intermediate between these two extremes were also elucidated for all species. These averages show reproducible detail of up to 2.0 nm resolution, thus enabling the visualization and interspecies comparison of many structural features as a first step toward comparing the actual three-dimensional structures. Our results disprove evolutionary lineages recently postulated on the basis of electron microscopical images of ribosomal subunits.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02101154
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  • 4
    Electronic Resource
    Electronic Resource
    Buschke-Loewenstein tumour (1987)
    Springer
    Virchows Archiv 410 (1987), S. 83-92 
    Details
    ISSN: 1432-2307
    Keywords: Buschke-Loewenstein tumour ; Giant condyloma ; Anogenital region ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Results on the light- and electron microscopic studies of six cases of Buschke-Loewenstein tumour are presented. The role of chronic irritation is emphasized in the aetiology of the tumour. Fistulas and abscesses arising in the tumour are dangerous as they give rise to chronic sepsis. In two perianal tumours, in situ or invasive carcinoma developed. Electron microscopy revealed varying degrees of differentiation of keratinocytes. As a result of the defective desmosomes, the tumour cell underwent segregation, with widened intercellular spaces containing oedema, erythrocytes and leucocytes. This phenomenon is probably responsible for frequent bleeding and fistula formation. The investigations disclosed that the Buschke-Loewenstein tumour is a special form of squamous carcinoma and therefore, radical surgical excision must be attempted even in case of a benign histological picture.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00713509
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  • 5
    Electronic Resource
    Electronic Resource
    Perisinusoidal fibrosis of the liver in patients with thrombocytopenic purpura (1987)
    Springer
    Virchows Archiv 411 (1987), S. 553-559 
    Details
    ISSN: 1432-2307
    Keywords: Thrombocytopenic purpura ; Idiopathic thrombocytopenic purpura ; Liver sinusoidal fibrosis ; Electron microscopy ; Immunocytochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary 10 patients with thrombocytopenic purpura (TP) underwent splenectomy. Eight of these patients had idiopathic TP (certain or probable). All had normal liver function tests. Liver histology of the surgical biopsy was normal with the exception of a non specific mild portal infiltration in 6 cases. On Sirius red staining the perisinusoidal network was normal in 3 cases, mildly or moderately increased in 5 cases and often associated with perivenular fibrosis. Collagen types I, III, IV, laminin and fibronectin were increased in the 8 biopsies tested. On semi-thin sections, numerous Kupffer cells were observed. Under the electron microscope, sinusoidal abnormalities were very similar in all 7 patients studied: numerous Kupffer cells containing abundant lysosomes, numerous collagen bundles in the Disse space, active endothelial cells, transformation of some perisinusoidal cells into cells with some of the characteristics of fibroblasts (increased RER) and myofibroblasts (peripheral condensations of the filamentous network), increased fragments of basement membrane-like material. In two cases there was an increase in the number of perisinusoidal cells loaded with lipids. The similarity of the lesions and the absence of other fibrogenic causes (except in 2 cases) suggest that TP may represent another group of diseases with perisinusoidal fibrosis. The aetiology of fibrosis remains unknown but platelet derived growth factor and activated macrophages may play a major role.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00713286
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  • 6
    Electronic Resource
    Electronic Resource
    Involution of the antimesometrial decidua in the mouse (1987)
    Springer
    Anatomy and embryology 176 (1987), S. 251-258 
    Details
    ISSN: 1432-0568
    Keywords: Decidua ; Involution ; Electron microscopy ; Mouse
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Involution of the antimesometrial decidua was analysed by electron microscopy on days 9, 10 and 11 of pregnancy in the mouse. During this period, the width of the antimesometrial decidua decreases considerably. Involution begins in the decidual cells situated closest to the embryo (internal decidua) and proceeds towards the myometrium. The cells of the internal decidua showed signs of deterioration characterized by accumulation of clumps of chromatin in the nuclei and dilation of the perinuclear cisterna and endoplasmic reticulum cisternae. Autophagosomes and heterophagosomes accumulated in the cytoplasm of these cells. Cells particularly strongly affected became spherical and were devoid of their plasma membrane. Some cells near the trophoblast as well as the mature decidual cells situated farther from the embryo showed a normal morphology. The trophoblastic cells established close contact with healthy decidual cells and engulfed fragments of disorganized decidual cells. It is suggested that the death of decidual cells is a type of programmed cell death and that it is not due to a direct lytic action by the trophoblast.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00310059
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  • 7
    Electronic Resource
    Electronic Resource
    Capillary hemangioblastoma: histogenesis of stromal cells (1987)
    Springer
    Acta neuropathologica 73 (1987), S. 370-378 
    Details
    ISSN: 1432-0533
    Keywords: Electron microscopy ; Factor VIII ; Glial fibrillary acidic protein ; Hemangioblastoma ; Tissue culture
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The histogenesis of stromal cells in capillary hemangioblastoma has been the subject of debate. The light and electron microscopic studies of hemangioblastomas presented here showed pericytic and leiomyoblastic features in stromal cells. Cells cultured by the monolayer method showed similar features to those of the original tumors. Immunohistochemical studies for glial fibrillary acidic protein and factor VIII/von Willebrand factor indicated that stromal cells were antigenically distinct from astrocytes and endothelial cells. These findings suggest that stromal cells are closely related to pericytes and smooth muscle cells, and support Rhodin's speculation that pericytes serve as a precursor to smooth muscle cells.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00688262
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  • 8
    Electronic Resource
    Electronic Resource
    Rhabdomyosarcoma in the region of the sella turcica (1987)
    Springer
    Acta neurochirurgica 88 (1987), S. 142-146 
    Details
    ISSN: 0942-0940
    Keywords: Electron microscopy ; immunohistochemistry ; pituitary ; rhabdomyosarcoma
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Intracranial extension of rhabdomyosarcoma from the face, nasopharynx or middle ear is rare. A 16-year-old boy presented with deterioration of vision and headache. CT scan revealed a soft tissue mass occupying the sphenoid and ethmoid sinuses, extending to the suprasellar fossa and impinging on the optic chiasm. The tumour, mimicking pituitary carcinoma, was removed by transsphenoidal craniotomy. Morphologic studies, including immunohistochemistry and electron microscopy, revealed that the tumour was a rhabdomyosarcoma. This case stresses the value of immunohistochemical and ultrastructural studies in the diagnosis of tumours occurring in the region of the sella turcica. The origin of this tumour was thought to be the sphenoid or ethmoid sinus. The pituitary gland appeared intact.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01404151
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  • 9
    Electronic Resource
    Electronic Resource
    Substantia nigra damage induced by ischemia in hyperglycemic rats (1987)
    Springer
    Acta neuropathologica 75 (1987), S. 131-139 
    Details
    ISSN: 1432-0533
    Keywords: Cerebral ischemia ; Hyperglycemia ; Substantia nigra ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Preischemic hyperglycemia induced by feeding or glucose infusion worsens the brain damage and the clinical outcome following ischemia of a given duration and density, and characteristically causes postischemic seizure activity. Light microscopy has previously showed that, in the rat, transient hyperglycemic ischemia induced by bilateral carotid occlusion in combination with arterial hypotension causes a uni- or bilateral lesion in the pars reticulata of the substantia nigra. Since this region has a central role in preventing seizure discharges the present study was carried out to determine the ultrastructural characteristics of this lesion. In rats with 10 min of transient hyperglycemic ischemia followed by recirculation for 1 to 18 h, the pars reticulata of the substantia nigra showed signs of status spongiosus, as well as extensive nerve cell alterations. These changes were observed after all recovery periods studied. The spongiotic appearance was mainly caused by swelling of dendrites and, to a lesser degree, by astrocytic swelling. The dendrites were expanded at all recovery times but the severity increased during the later periods of recirculation. These swollen dendrites contained severely expanded mitochondrias and endoplasmic reticulum. The cytoskeletal elements showed disordered lining of microtubules. Two major types of nerve cell alterations were present: a “pale” and a “dark” variety. The pale type was the most frequent cell alteration. It occurred in all experimental groups and at all time points. Redistribution of the nuclear chromatin and of cytoplasmic organelles as well as swelling of the same type as in the dendrites were the essential changes. The dark neurons were much fewer in number and occupied a peripheral position in the pars reticulata. Astrocytic foot processes appeared to be dilated around the dark neurons. Swelling of astrocyte processes was most pronounced in the 1 h recovery animals. Both types of neurons showed severe mitochondrial alterations of the type observed in dendrites. Occasionally, mitochondrial alterations were found in astrocytic processes as well. Blood vessel alterations were lacking. Previous studies have shown that in this model of ischemia the substantia nigra has a relatively well-preserved blood perfusion. In view of this the extensive histopathological lesions are surprising. We speculate that the lesions primarily involve excitotoxic damage to dendrites, with pronounced lactic acidosis playing a contributory role in causing axonal and glial pathology as well.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00687073
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  • 10
    Electronic Resource
    Electronic Resource
    Transplantation of cerebellar anlagen to hosts with genetic cerebellocortical atrophy (1987)
    Springer
    Anatomy and embryology 176 (1987), S. 145-154 
    Details
    ISSN: 1432-0568
    Keywords: Neurological mutant mice ; ‘Purkinje cell degeneration’ (pcd) ; Weaver ; Neural transplants ; Cerebellum ; Light microscopy ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Embryonic cerebellar grafts from genetically normal donors were implanted into the cerebellomedullary cistern of adult ‘Purkinje cell degeneration’ (pcd) and weaver mutant mice, which are respectively characterized by the selective loss of Purkinje and granule cells. Grafts placed into both mutant recipients exhibited a layered cellular organization reminiscent of the normal cerebellar cortex. Molecular, Purkinje, and granule cell layers were identifiable. Grafted Purkinje cells displayed characteristic cytological features, such as hypolemmal cisterns in association with mitochondria in the perikaryon, and lamellar structures in their axons. The cytological features of granule cell somata in the grafts appeared similar to those of mature granule cells. Electron microscopic examination of the molecular layer of the grafts revealed the presence of parallel fibers, which were not oriented in a parallel fashion; axon terminals of such fibers were often presynaptic to dendritic spines. The number of parallel fibers was markedly reduced in grafts implanted into both mutants compared to the normal cerebellar cortex; however, this phenomenon is commonly seen in cerebellum in tissue culture and in cerebellar transplants into normal hosts. It is concluded, therefore, that the environment of the mutant hosts does not affect the survival of Purkinje or granule cells and that transplantation of solid cerebellar grafts in the neurological mutants studied does not seem to pose any apparent limitations beyond those inherent to the process of cerebellar growth and differentiation outside its normal environment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00310047
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  • 11
    Electronic Resource
    Electronic Resource
    Permeability studies of the guinea pig placental labyrinth (1987)
    Springer
    Anatomy and embryology 176 (1987), S. 525-530 
    Details
    ISSN: 1432-0568
    Keywords: Placenta ; Guinea pig ; Labyrinth ; Syncytiotrophoblast ; Tracers ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The permeability of the materno-fetal barrier in the chorioallantoic placenta was studied in guinea pigs with gestation at term applying a variety of electron-opaque tracers via maternal circulation. None of the tracers tested was seen permeating the syncytiotrophoblast in the materno-fetal direction up to a 20 min interval when the fine structure of the placenta was satisfactorily preserved. The lanthanum chloride, cationized ferritin and horseradish peroxidase bound to the trophoblast surface, apparently due to electrostatic forces more than to specific receptors, and no uptake of these probes was detected in the cytoplasm. Albumin-colloidal gold complex, also used as a tracer, yielded similar results. As reported in other species with more complex syncytiotrophoblastic organization, this layer investing maternal lacunae is a highly selective permability barrier.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00310092
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  • 12
    Electronic Resource
    Electronic Resource
    Vegetating cicatricial pemphigoid (1987)
    Springer
    Archives of dermatological research 279 (1987), S. S30 
    Details
    ISSN: 1432-069X
    Keywords: Cicatricial pemphigoid ; Vegetating lesions ; Immunopathology ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A case with widespread vegetating-pustular skin lesions, oral erosions, ulcerations and scarring, and conjunctival synechiae is reported. Clinically, histopathologically, and by immunofluorescence and electron microscopy this patient combined the features of pemphigoid vegetans, as described by Winkelmann and Su, and the mucocutaneous type of cicatricial pemphigoid. This observation suggests that a third subset of cicatricial pemphigoid can now be added to the two existing ones, the mucocutaneous and Brunsting-Perry types, and the designation vegetating cicatricial pemphigoid is proposed for this heretofore undescribed condition.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00585917
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  • 13
    Electronic Resource
    Electronic Resource
    Extracellular edema and glial response to it in the cerebellum of suckling rats with low-dose lead encephalopathy (1987)
    Springer
    Acta neuropathologica 75 (1987), S. 116-122 
    Details
    ISSN: 1432-0533
    Keywords: Rat ; Lead ; Brain edema ; Electron microscopy ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Newborn rats were exposed to daily intraperitoneal injections of 10 mg lead nitrate per kg body weight for the first 15 postnatal days. The growth and mortality of the lead-exposed animals did not differ from their control litter-mates, injected with vehicle only. In our previous studies, focal hemorrhages and spongy areas as well as breakdown of blood-brain barrier to plasma proteins were shown by light microscopy in the cerebellar parenchyma of 15-day-old rats exposed to this dose. In spite of these signs of edema, measurements of brain tissue specific gravity did not show increased water content. In the present investigation we examined the ultrastructure of the brain lesions in these rats with low-dose lead encephalopathy, focusing on signs of edema, and evaluated astroglial reaction by immunocytochemical staining for glial fibrillary acidic protein (GFAP). The electron microscopic findings were compatible with extracellular edema in the cerebellum of 15-day-old lead exposed rats. The number of GFAP-positive cell bodies in the gray substance of the cerebellar cortex was increased in the 15-day-old lead-exposed rats as compared with the controls of the same age, a finding which is presumably related to the leakage of plasma proteins. Both these findings were lacking at 20 days of age, suggesting reversibility of the lead-induced changes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00687071
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  • 14
    Electronic Resource
    Electronic Resource
    Epithelial properties of pleomorphic xanthoastrocytomas determined in ultrastructural and immunohistochemical studies (1987)
    Springer
    Acta neuropathologica 74 (1987), S. 142-150 
    Details
    ISSN: 1432-0533
    Keywords: Pleomorphic xanthoastrocytoma ; Epithelial properties ; Circumscribed growth ; Electron microscopy ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Three cases of pleomorphic xanthoastrocytoma (PXA), one of which showed anaplastic evolution, are described. In all three the PXA tumors were well circumscribed and could be totally removed. Light-microscopically, pleomorphic tumor cells clustered gregariously and often formed alveolar structures. Electron microscopy revealed various epithelial properties, such as junctions and interdigitations between apposing tumor cells, and prominent basal laminae surrounding tumor nests. The circumscribed growth of PXA, as contrasted with an infiltrative growth of usual astrocytoma, can be attributed to the cellular cohesion based on the epithelial properties of the tumor cells. In the third patient, tumor recurred 6 months postoperatively. Although the recurrent tumor retained the alveolar structures, pleomorphism and various degenerative features of the tumor cells diminished with advance in the proliferative activities.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00692844
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  • 15
    Electronic Resource
    Electronic Resource
    Cerebral gangliocytoma (1987)
    Springer
    Acta neuropathologica 74 (1987), S. 169-178 
    Details
    ISSN: 1432-0533
    Keywords: Cerebral gangliocytoma ; Parieto-frontal lobe ; Intracytoplasmic inclusion bodies ; No synapse ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary We report a case of cerebral gangliocytoma (GC) with a variety of unusual structures in the tumor cells. Light microscopically, the tumor consisted of typical ganglion cells, atypical cells which has argyrophilic granules in the cytoplasm, and a few astrocytes. Electron microscopically, the tumor cells showed typical gangliocytic features, which had abundant rough endoplasmic reticula, ribosomes and cored vesicles of 90–150 nm diameter, a few 50-nm-diametered non-cored vesicles, and other common organelles in their cytoplasm. Furthermore, neoplastic ganglion cells contained a variety of abnormal structures, including membranous cytoplasmic bodies (MCB), Zebra bodies (ZB), tubular structures, branched tubular structures (BTS), concentrical laminated bodies and curvilinear bodies (CB). The MCB, ZB and CB resembled those in GM2 gangliosidosis (GMG), and the BTS that in infantile neuroaxonal dystrophy (INAD). Although the significance of these inclusions is still unknown, it is considered that some common mechanism might play a role in the metabolism of both neoplastic neuronal cells and degenerating neurons (GMG and INAD). Synapses could not be observed anywhere despite complete neuronal differentiation of many tumor cells.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00692848
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  • 16
    Electronic Resource
    Electronic Resource
    Protective effect of lesion to the glutamatergic cortico-striatal projections on the hypoglycemic nerve cell injury in rat striatum (1987)
    Springer
    Acta neuropathologica 74 (1987), S. 335-344 
    Details
    ISSN: 1432-0533
    Keywords: Hypoglycemia ; Rat striatum ; Glutamate ; Excitotoxic nerve cell injury ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In rat striatum severe hypoglycemia causes an irreversible nerve cell injury, which does not become manifest until during the post-insult recovery period. This injury can be ameliorated by lesions of the glutamatergic cortico-striatal pathway, which suggests that an “excitotoxic” effect mediated by the glutamatergic input is the likely cause of the posthypoglycemic nerve cell destruction. In this paper we further characterize the protective effect of abolishing the glutamatergic innervation to striatum at the ultrastructural level. Two weeks after a unilateral cortical ablation rats were subjected to 30 min of severe hypoglycemia with isoelectric EEG and killed either immediately after the insult or following 60 min of recovery induced by restoring the blood glucose levels. Immediately after the hypoglycemic insult the structure of striatum was similar on both sides (except for the changes attributable to the ablation); i.e., the neurons and their dendrites had pale cytoplasm with condensed mitochondria, sparse RER and pinpoint ribosomes. After 60 min restitution numerous striatal neurons on the non-protected, non-ablated side had turned variably dark and condensed, whereas under-neath the ablation they remained similar as immediately after hypoglycemia. This sequence indicates that the most likely cause of nerve cell destruction on the non-protected side is the “excitotoxic” effect mediated by the glutamatergic innervation, which is superimposed on the action of the hypoglycemic insultper se. Furthermore, the primary condensation of neurons and their dendrites indicate existence of another type of acute “excitotoxic” nerve cell injury which differs from the previously described injury characterized by neuronal swelling.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00687210
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  • 17
    Electronic Resource
    Electronic Resource
    Pacinian corpuscles in rats with carbon disulphide neuropathy (1987)
    Springer
    Acta neuropathologica 72 (1987), S. 341-348 
    Details
    ISSN: 1432-0533
    Keywords: Carbon disulphide neuropathy ; Pacinian corpuscles ; Denervation and reinnervation ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Adult Wistar rats were exposed to carbon disulphide vapours at a concentration of 2.4 mg/l of air for 5 days a week (6 h a day), and the ultrastructure of Pacinian corpuscles and their nerve supply was investigated after 6 months of exposure. Both degenerative and regenerative changes were observed in sensory axons and the corpuscles. In a sample of corpuscles examined, 30% were denervated and about 60% showed clear signs of reinnervation. Some of the reinnervated corpuscles were supplied by unmyelinated axons. In others, one to three myelinated axons were already found at the nerve entry. The axons branched and formed three to eight terminals in the inner core. Due to continuous intoxication, most regenerated terminals were again undergoing degeneration. In peripheral nerves, the evidence of axonal regeneration has been reported in various toxic distal axonopathies. However, the reinnervation of Pacinian corpuscles has not been described before. It can be expected that reinnervation of Pacinian corpuscles and other end-organs also occurs in other axonopathies, if not during continuous poisoning, then at least after its cessation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00687265
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  • 18
    Electronic Resource
    Electronic Resource
    Virus spread and initial pathological changes in the nervous system in genital herpes simplex virus type 2 infection in mice (1987)
    Springer
    Acta neuropathologica 72 (1987), S. 377-388 
    Details
    ISSN: 1432-0533
    Keywords: Herpes simplex virus type 2 ; Genital infection ; Avidin-Biotin Method ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Mice were infected by the vaginal route with the MS strain of herpes simplex virus type 2 (HSV-2). Serial vaginal cultures were used to confirm infection and to select mice for this study. Two mice were killed by perfusion on days 2–6 post infection (p.i.) and lumbar and sacral cord with cauda were fixed and embedded for electron microscopy. Semithin Epon-sections were stained for viral antigen using a rabbit anti-HSV-2 antiserum and the Avidin-Biotin (ABC) method. Thin sections from antigen-positive blocks were examined by electron microscopy, and the number and types of infected cells detected by these two methods were compared. A good correlation was found between detection of infected cells by these methods. Infected cells included neurons of dorsal root ganglia and spinal cord, satellite cells of dorsal root ganglia, non-myelinating Schwann cells, astrocytes, oligodendrocytes and arachnoidal cells. Infected cells were first detected in the cauda on day 3 p.i. and in the spinal cord on day 5 p.i. The temporal and spatial distribution of infected cells was consistent with neural spread to and within the CNS. The pathological lesions showed a good correlation with the distribution and number of infected cells and are probably due to a direct virus effect. The similar sensitivity of the Epon-ABC method to electron microscopy in detecting infected cells indicates that this method may have useful applications in both experimental and diagnostic work.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00687270
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  • 19
    Electronic Resource
    Electronic Resource
    Idiopathic nonarteriosclerotic cerebral calcification (Fahr's disease): an electron microscopic study (1987)
    Springer
    Acta neuropathologica 73 (1987), S. 62-66 
    Details
    ISSN: 1432-0533
    Keywords: Cerebral calcification ; Fahr's disease ; Electron microscopy ; Histochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A case of idiopathic nonarteriosclerotic cerebral calcification was studied post mortem by histochemical and scanning and transmission electron microscopic methods. Calcification was found bilaterally in the basal ganglia, cerebral cortex, granular layer and white matter of the cerebellum. Histochemical examination revealed that deposits were composed of a mixture of glycoproteins, mucopolysaccharides, calcium salts and iron. Transmission electron microscopy revealed minute deposits mainly in the cytoplasm of adventitial cells of blood vessels and sometimes in the cytoplasmic processes of glial cells. Scanning electron microscopy showed that some of the spherical and hemispherical bodies, which were formed in the adventitial cells of blood vessels, were connected with filamentous cytoplasmic processes of surrounding cells. Small uncalcified deposits occurring in the cytoplasm of the adventitial cells had subsequently had minerals deposited in them. Some kind of impairment of the pericytes may play an important role at the onset of this disease.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00695503
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  • 20
    Electronic Resource
    Electronic Resource
    Ultrastructural study of the occurrence of autosomal dominant ichthyosis vulgaris in atopic eczema (1987)
    Springer
    Archives of dermatological research 279 (1987), S. 270-272 
    Details
    ISSN: 1432-069X
    Keywords: Atopic eczema ; Hyperlinear palms ; Autosomal dominant ichthyosis vulgaris ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00417327
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  • 21
    Electronic Resource
    Electronic Resource
    Morphometric and ultrastructural analyses of melanocytes, nevus cells, and melanoma cells (1987)
    Springer
    Archives of dermatological research 279 (1987), S. 167-172 
    Details
    ISSN: 1432-069X
    Keywords: Morphometry ; Electron microscopy ; Cytological atypia ; Nevus cells ; Melanoma cells
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Cytological atypia, revealed in the course of routine light microscopy, is considered a valuable indicator of malignancy in melanocytic lesions. A clear definition of the term cytological atypia, however, is lacking. Therefore, by morphometric analysis of ultrathin sections of 11 malignant melanomas (7 invasive, 3 in situ, and 1 lentigo maligna melanoma) and 10 compound nevi, we evaluated the discriminating power of the various facets of cytological atypia, i. e., nuclear area, area of the nucleolus, area of the total cell, and nuclear irregularity. In each case, at least 50 intraepidermal melanocytic cells were examined. The two-sided U-test showed significant differences between intraepidermal nevus and melanoma cells, with regard to the mean values (x) and standard deviations (s) of the nuclear area (x and s, p=0.00011), area of the nucleolus (x, p=0.00043; s, p=0.00011), and area of the total cell (x, p=0.00011; s, p=0.00093). However, only the mean values and standard deviations of the nuclear area allowed a clear distinction in each individual case. The area of the nucleus can be estimated in the course of routine histology. We therefore think that the size and variation of the nuclear area should be considered in the histological differential diagnosis between malignant melanomas and benign nevi.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00413252
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  • 22
    Electronic Resource
    Electronic Resource
    Collagen studies in congenital cutis laxa (1987)
    Springer
    Archives of dermatological research 279 (1987), S. 308-314 
    Details
    ISSN: 1432-069X
    Keywords: Congenital cutis laxa ; Collagen synthesis ; Electron microscopy ; Morphometry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A case of congenital cutis laxa (CCL) of unclear mode of inheritance associated with multiple pulmonary artery branch stenosis was extensively investigated to assess possible correlations between clinical, ultrastructural, and biochemical features. Light microscopy revealed that elastic fibers were absent in the papillary dermis, while hypoplastic elsewhere. Transmission electron microscopy showed a poor elastin matrix content in some elastic fibers, variable diameters of collagen fibrils, and abundant glycogen granules in most dermal cells. Measurement of collagen fibril diameters, using an image analyzer, was carried out in the patient and two age- and site-matched controls. A biomodal distribution was found in the upper reticular dermis of the patient. In vitro analysis of collagen in skin fibroblast cultures of the patient showed increased collagen synthesis with a balanced production of type I and type III procollagens. Our study confirms that CCL represents a disorder both of collagen and elastic connective tissue.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00431223
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  • 23
    Electronic Resource
    Electronic Resource
    Erythropoietin in haemangioblastoma: Immunohistochemical and electron microscopy studies (1987)
    Springer
    Acta neurochirurgica 85 (1987), S. 56-62 
    Details
    ISSN: 0942-0940
    Keywords: Electron microscopy ; erythropoietin ; haemangioblastoma ; immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Immunohistochemical studies for erythropoietin were carried out in six capillary haemangioblastomas, three of which were also studied by electron microscopy. The immunohistochemical studies showed that positively stained cells were scattered in the vicinity of capillaries, and that neither endothelial cells nor stromal cells were stained. In their morphology and distribution, the positively stained cells were identical to mast cells as observed by electron microscopy. In one case, erythropoietin was demonstrated in the cyst fluid of the tumour. These findings suggest that mast cells with abundant secreting granules in haemangioblastomas are capable of producing erythropoietin.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01402372
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  • 24
    Electronic Resource
    Electronic Resource
    Experimental toxicology of formaldehyde (1987)
    Springer
    Journal of cancer research and clinical oncology 113 (1987), S. 305-309 
    Details
    ISSN: 1432-1335
    Keywords: Formaldehyde ; Mutagenicity ; Metabolism ; Biochemistry ; Carcinogenicity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Formaldehyde is a reactive chemical which undergoes spontaneous reactions with various cellular constituents. Mutagenicity data may be interpreted on the background of this behavior. Mice are better able to reduce the irritating effect of formaldehyde than rats and to reduce their ventilation rate when formaldehyde acts on the respiratory tract. Subacute exposure of rats to concentrations higher than 2 ppm inhibits mucociliary clearance of the nasal epithelium and leads to progressive histological and ultrastructural lesions at this site. The occurrence of squamous cell carcinomas of the nasal epithelium of rats after 2 years inhalation of 14.3 ppm formaldehyde (CIIT study) is probably the result of chronic and recurrent local toxicity; this is supported by species differences in susceptibility to the tissue damaging and carcinogenic effect of formaldehyde (rat, mouse, hamster). Data on formaldehyde-DNA interaction further support the argument that a direct risk extrapolation from the formaldehyde effects in rats to those expected for man is not possible.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00397713
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  • 25
    Electronic Resource
    Electronic Resource
    Sarcomatous degeneration in Paget's bone disease (1987)
    Springer
    Journal of cancer research and clinical oncology 113 (1987), S. 392-399 
    Details
    ISSN: 1432-1335
    Keywords: Paget's disease of bone ; Osteosarcoma ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The authors report 12 cases (8 men and 4 women) of sarcomatous degeneration in Paget's bone disease, with an average age of 72.3 years. Sarcomatous degeneration occurred often in polyostotic Paget's disease, and osteitis deformans was seen in 4 cases. Femur and pelvis were the most affected bones. Pain was a constant feature, whereas tumefaction and fracture were less common. Osteolytic lesions were more frequent than condensed or mixed lesions and radiological signs of malignancy were usually found. Seven cases were histologically clasiified as osteogenic sarcoma and 3 cases as fibrosarcoma. Electron microscopy was performed on 2 osteogenic sarcomas and in 1 case revealed microcylindrical inclusion in Pagetic osteoclasts and in multinucleated giant tumor cells, but none in mononucleated tumor cells. The average survival time for the patients in this study was only 4.5 months.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00397726
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  • 26
    Electronic Resource
    Electronic Resource
    Synaptic input and local output of dopaminergic neurons in grafts that functionally reinnervate the host neostriatum (1987)
    Springer
    Experimental brain research 68 (1987), S. 131-146 
    Details
    ISSN: 1432-1106
    Keywords: Ventral mesencephalic grafts ; Electron microscopy ; Afferent synapses ; Tyrosine hydroxylase immunocytochemistry ; Dopaminergic neurons ; Dopaminergic boutons
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In adult rats with a unilateral 6-hydroxydopamine-induced lesion of the nigrostriatal dopamine pathway, grafts of embryonic ventral mesencephalon can establish extensive efferent connections with the previously denervated host neostriatum and can compensate for motor and sensorimotor asymmetries induced by the lesion. The object of this study was to examine the afferent synaptic inputs to grafted dopaminergic neurons, implanted into a cortical cavity overlying the previously denervated caudate-putamen, using electron microscopic immunocytochemistry. The dopaminergic neurons of the grafts in the same animals had previously been shown to re-innervate the host neostriatum, to form synaptic connections therein and to attenuate the lesion-induced motor asymmetry that occured in response to amphetamine (Freund et al. 1985). In the light microscope, the grafts were found to contain numerous tyrosine hydroxylase-immunoreactive perikarya, dendrites, axons and axonal swellings which had distinct distributions. In addition axons and axonal swellings that were immunoreactive for either substance P or glutamate decarboxylase were present. Electron microscopic analysis of the boutons contacting tyrosine hydroxylase-immunoreactive neurons in the grafts revealed the presence of at least five distinct types of afferent synaptic boutons based on their immunochemistry, morphology, or types of membrane specialization. One type was itself immunoreactive for tyrosine hydroxylase; such synapses are extremely rare in the intact substantia nigra, none were found in the contralateral substantia nigrae or the substantia nigra of a control rat. Three of the remaining types had ultrastructural features that were similar to synaptic terminals that were immunoreactive for substance P or glutamate decarboxylase. These synapses were similar to the types of synapses found contacting dopaminergic neurons in the substantia nigra contralateral to the graft or the substantia nigra of a control rat. The results demonstrate that, in the absence of the normal extrinsic afferent inputs, the intracortical mesencephalic grafts have a well-developed local synaptic circuitry. It is suggested that local circuit regulation of dopaminergic neurons within the graft may, at least in part, be responsible for the maintenance of a normal or close to normal functional activity.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00255240
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  • 27
    Electronic Resource
    Electronic Resource
    Ultrastructure of the gracile nucleus projection to the dorsal accessory subdivision of the cat inferior olive (1987)
    Springer
    Experimental brain research 66 (1987), S. 175-184 
    Details
    ISSN: 1432-1106
    Keywords: Dorsal column nuclei ; Gracile nucleus ; Inferior olive ; Dorsal accessory olive ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary This study examined the termination pattern within the dorsal accessory subdivision of the cat inferior olive of axons arising from the gracile nucleus. The gracile terminals were labeled by anterograde transport of wheat germ agglutinin complexed to horseradish peroxidase and visualized with tetramethyl benzidine. Gracile terminals were found to contain round synaptic vesicles and form asymmetric synaptic contacts. Of particular interest was the finding that gracile axons, like axons from the spinal cord, terminate primarily outside of synaptic glomeruli. Yet most of the gracile terminals did not synapse on isolated dendritic elements. Rather, the majority contacted distal dendrites which directly contacted other dendritic elements, forming simple complexes termed dendritic thickets. Typically the dendritic thickets were composed of two or three dendrites that received input from more than one round vesicle-containing synaptic terminal. Only one terminal per thicket was labeled by injections in the gracile nucleus. This clustering of pre-and postsynaptic elements within the thickets provides opportunities for many of the same interactions allowed by synaptic glomeruli, in particular divergence and convergence of information.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00236213
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  • 28
    Electronic Resource
    Electronic Resource
    Fine structure of adrenal medullary grafts in the pain modulatory regions of the rat periaqueductal gray (1987)
    Springer
    Experimental brain research 67 (1987), S. 380-390 
    Details
    ISSN: 1432-1106
    Keywords: Adrenal medulla ; Periaqueductal gray ; Neural implants ; Analgesia ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Recent findings in our laboratory indicate that adrenal medullary grafts produce significant alterations in pain sensitivity. Electron microscopic studies were undertaken to correlate these behavioral changes with the neural interactions of the host and graft tissue in the periaqueductal gray. A striking change found 8 weeks after transplantation is that pronounced myelination has taken place both in the graft and in the host tissue. The new myelin formation in the graft has the typical appearance of PNS myelination and, in the host the appearance of CNS myelination. The endothelial cells of the capillaries in the grafted tissue are attenuated and fenestrated in contrast to those of the surrounding parenchymal tissue of the host. By 8 weeks, the graft becomes heavily encapsulated with collagen, while the host CNS tissue develops layers of glial processes outlining the graft. However, collagen and glial layers apparently do not form an absolute barrier to either cellular or humoral interaction between the host and graft tissue. Chromaffin cells can be found protruding into the host CNS tissue and sometimes forming synapses with presumably the host neuronal processes. Grafted chromaffin cells may participate as both postsynaptic and, less often, as presynaptic components of synaptic junctions. The behavioral relevance of these synaptic contacts is unclear, since similar implants of adrenal medullary tissue into the dorsal spinal cord subarachnoid space, which also induce potent analgesia, do not contain synapses. Thus, it is more likely that behavioral changes are brought about by diffusion of neuroactive substances from grafted chromaffin cells to host receptors.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00248558
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  • 29
    Electronic Resource
    Electronic Resource
    Size distributions of circular molecules in plant mitochondrial DNAs (1987)
    Springer
    Current genetics 12 (1987), S. 49-53 
    Details
    ISSN: 1432-0983
    Keywords: Electron microscopy ; Replicative intermediates
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Some physicochemical properties of the mitochondrial DNAs (mtDNA) from plants of flax, broad bean and mung bean, and from tissue culture cells of jimson weed, soybean, petunia and tobacco were determined. Circular molecules were observed in electron microscope preparations of each mtDNA. In soybean, petunia, broad bean and mung bean mtDNAs, the circular molecules had a continuous distribution of lengths (ranges between 1 to 36 kb, and 1 to 126 kb), heavily skewed toward smaller molecules. Eighty-six percent of the flax circular molecules were from 27 to 54 kb in size, and 78% of the jimson weed circular molecules were from 4 to 15 kb. Replicative forms of 1.2–1.6 kb circular molecules were observed in electron microscope preparations of broad bean mtDNA.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00420727
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  • 30
    Electronic Resource
    Electronic Resource
    Recovery process of tracheal mucosa of guinea pigs exposed to isopropyl alcohol (1987)
    Springer
    Archives of toxicology 61 (1987), S. 12-20 
    Details
    ISSN: 1432-0738
    Keywords: Isopropyl alcohol ; Tracheal mucosa ; Ciliary activity ; Recovery process ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract The toxicity of isopropyl alcohol (IPA) on the tracheal mucosa was studied experimentally with special reference to the recovery process of the organ. The results showed that 400 ppm IPA has an acute effect on the mucociliary system in the tracheal mucosa, and that recovery from such degeneration can occur in 2 weeks. When functional and morphological damage was induced by a higher level (5500 ppm) of IPA, recovery did not occur in 2 weeks. The conclusion is that the present allowable level of IPA is reasonable from the viewpoint of the effects of short-term exposure to IPA on the tracheal mucosa. In addition, a higher level of IPA exposure has longer-term effects on the tracheal mucosa, and workers exposed to such a higher level of IPA vapor should be given careful otolaryngological follow-up observations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00324542
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  • 31
    Electronic Resource
    Electronic Resource
    Ultrastructural changes in the respiratory tract of rats following methyl isocyanate inhalation (1987)
    Springer
    Archives of toxicology 59 (1987), S. 385-390 
    Details
    ISSN: 1432-0738
    Keywords: Lung ; Methyl isocyanate ; Gas poisoning ; Electron microscopy ; Rats
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract The static exposure of rats to 0.25 mg/l methyl isocyanate for 1 h resulted in damage to the epithelium of the proximal bronchioles and upper airways. Bronchiolar cells exhibited both nuclear and cytoplasmic damage; many epithelial cells, particularly in the bronchi and trachea, were killed and/or dislodged from the basement membrane. A “raft” of cell debris and fibrin lined most of the airways during the 1st week after exposure but repair to the underlying epithelium was well advanced within 2–3 days. The majority of airways were lined by a normal epithelium within 3 weeks of exposure, but isolated foci of hyperplasia and occluded airways probably accounted for continued respiratory impairment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00316202
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  • 32
    Electronic Resource
    Electronic Resource
    Medulloblastoma: histological evaluation and prognosis (1987)
    Springer
    Child's nervous system 3 (1987), S. 74-80 
    Details
    ISSN: 1433-0350
    Keywords: Medulloblastoma ; GFAP-positivity ; Electron microscopy ; Postoperative follow-up
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Eighty-four cases of medulloblastoma were examined immunohistochemically and 12 by electron microscopy to assess differentiation in these tumors. Based upon the largest series of medulloblastoma studied to date, we demonstrated glial fibrillary acidic protein (GFAP) positivity, in 25% (21/84) of these tumors showing glial differentiation. GFAP-positive cells were seen more frequently in the desmoplastic variant of medulloblastoma (7/10). Under electron microscopy, the major part of the 12 tumors studied appeared primitive and undifferentiated. In 7 cases, groups of cells were found with primitive neuronal and/or glial features. GFAP positivity was confirmed at light microscopy level in all cases where cells showed glial differentiation in the form of glial-like filaments in cytoplasma. However, a follow-up questionnaire study of those patients who had received only surgical treatment revealed no difference in mean survival time between GFAP-positive and GFAP-negative medulloblastoma.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00271127
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  • 33
    Electronic Resource
    Electronic Resource
    Myoadenylate deaminase deficiency: absence of correlation with exercise intolerance in 452 muscle biopsies (1987)
    Springer
    Journal of neurology 234 (1987), S. 385-389 
    Details
    ISSN: 1432-1459
    Keywords: Myoadenylate deaminase ; Histochemistry ; Biochemistry ; Neuromuscular diseases ; Exertional myalgia
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A histochemical assay was routinely performed of myoadenylate deaminase (MAD) in muscle biopsy specimens. MAD was absent in 13 cases, i.e. 2.9% of the specimens. In 10 cases the deficiency was confirmed biochemically. The diagnoses in the 13 patients were: polyneuropathy (n=5), infantile spinal muscular atrophy (n=3), congenital myopathy with type 2 fibre atrophy, facioscapulohumeral myopathy, polymyositis, myotonic dystrophy and hyperornithinaemia with gyrate atrophy of the retina. In contrast, 35 unrelated patients presenting with exercise-related muscle cramps or pains showed normal histochemical MAD activity. The biopsy specimens in all of these patients were essentially normal and in none of them was the diagnosis of a neuromuscular disease made. The results failed to confirm the association of MAD deficiency with aches, cramps and pains or exertional myalgia.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00314082
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  • 34
    Electronic Resource
    Electronic Resource
    Relation between α-methyl-D-glucoside influx and brush border surface area in enterocytes from chicken cecum and jejunum (1987)
    Springer
    Pflügers Archiv 408 (1987), S. 515-518 
    Details
    ISSN: 1432-2013
    Keywords: Sugar transport ; Electron microscopy ; Chicken cecum and jejunum
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract We have investigated the possible relation between the phloridzin-sensitive influx of α-methyl-D-glucoside (concentration 5 mmol/l) and the brush border surface area, in chicken isolated enterocytes. The intestinal regions studied were: jejunum and proximal cecum (both with high affinity sugar transport sites), medial cecum (with a low affinity transport system) and distal cecum (which lacks any transport ability). Cell apical surface measured by electron microscopy gave the following results; jejunal cells (0.41 μm2) 〉proximal cecal cells (0.23 μm2)〉medial cecal cells (0.15 μm2)=distal cecal cells (0.14 μm2). This parameter is mainly determined by the length of microvilli. Sugar influx studies showed that the concentration of the substrate in cell water (in mmol/l) was jejunum (7.1)〉proximal cecum (2.9) 〉medial cecum (1.7)〉distal cecum (not different from zero). The decline in influx rate from proximal to distal cecum may be explained both by changes in surface and by the different carriers involved (differentK m). Results of sugar concentration in the distal cecal cells do not correlate with the other segments studied since the substrate enters in these cells by a passive process. It is concluded that the degree of development of microvilli should be taken into account when estimating nutrient transport rates in different intestinal segments.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00585078
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  • 35
    Electronic Resource
    Electronic Resource
    Light bodies in human pituitary adenomas (1987)
    Springer
    Virchows Archiv 411 (1987), S. 311-314 
    Details
    ISSN: 1432-2307
    Keywords: Human pituitary adenomas ; Granules ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Light bodies are large cytoplasmic granules originally described in the gonadotrophic cells of the rat pituitary gland. In order to determine whether similar bodies occur in the human anterior pituitary gland, 89 pituitary adenomas and periadenomatous tissue from 20 cases were examined by transmission electron microscopy. Double membrane bound bodies with filamentous internal structure identical to rodent light bodies were identified in 10 hormone-producing adenomas: 5 PRL, 1 PRL-GH, 2 GH, and 2 ACTH-producing tumours. No light bodies were found in the remaining 79 tumours nor in the pituitary cells in periadenomatous tissue from 20 cases. These results show that some human pituitary adenomas may contain light bodies identical to those seen in gonadotrophs of rat pituitary.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00713374
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  • 36
    Electronic Resource
    Electronic Resource
    Human breast epithelium in vitro: The re-expression of structural and functional cellular differentiation in long-term culture (1987)
    Springer
    Cell & tissue research 247 (1987), S. 433-440 
    Details
    ISSN: 1432-0878
    Keywords: Mammary gland ; Tissue culture ; Collagen gel ; Electron microscopy ; Human
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Fragments of human breast epithelium, devoid of all stromal and basal lamina components, which maintain their in vivo topological organisation can be cultured for up to 28 days within a reconstituted rat-tail-derived collagen matrix. These organoids initially undergo a loss of structural and 3-dimensional organisation, typified by loss of lumina formed by epithelial cells, and myosin from myoepithelial cells. Their subsequent reorganisation is dependent on the presence of serum, insulin, hydrocortisone, and cholera toxin in tissue culture medium. After this preliminary phase, a reduction in the concentration of serum, insulin, hydrocortisone, and cholera toxin is necessary to allow the structural differentiation of epithelial and myoepithelial cells. The myoepithelial cells also regain their ability to produce the basal lamina component laminin. The use of bovine-dermal collagen as the matrix, rather than rat-tail-derived collagen is shown to result in more stable organisation and differentiation of the organoids. The successful use of single-cell pellets (derived by trypsinisation of the organoids) in place of organoids in such cultures illustrates that there is no requirement for pre-existing cell/ cell contact or topological organisation of cells prior to embedding within the collagen matrix.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00218324
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  • 37
    Electronic Resource
    Electronic Resource
    Morphological evidence for a direct innervation of the mouse vomeronasal glands (1987)
    Springer
    Cell & tissue research 247 (1987), S. 457-459 
    Details
    ISSN: 1432-0878
    Keywords: Vomeronasal glands ; Autonomic innervation ; Electron microscopy ; Mouse
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The morphological evidence for a direct autonomic innervation of the mouse vomeronasal glands is presented. Axonal varicosities containing a few densecore vesicles and numerous clear vesicles (36–60 nm in diameter) make synaptic contacts with the secretory cells at the base of the glandular acini. The axonal presynaptic membrane is associated with a distinct dense material and it is separated from the secretory cell by a synaptic cleft of about 12–14 nm. At the postsynaptical level, coated vesicles can be found. Additional postsynaptical specializations have not been observed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00218328
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  • 38
    Electronic Resource
    Electronic Resource
    Bipolarity of duodenal enterochromaffin cells in the rat (1987)
    Springer
    Cell & tissue research 248 (1987), S. 49-54 
    Details
    ISSN: 1432-0878
    Keywords: Enterochromaffin cells ; Serotonin ; Duodenum ; Immunocytochemistry ; Electron microscopy ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Enterochromaffin cells of the rat duodenum have been studied immunocytochemically by use of a specific antiserum to serotonin. At the light-microscopic level serotonin immunoreactivity was observed in enterochromaffin cells located in the epithelium of the duodenal mucosa. Most of the serotonin-immunoreactive material was localized to the basal portion of the enterochromaffin cells, but small amounts of immunoreactive material were regularly observed in the apical portion. At the electron-microscopic level serotonin immunoreactivity in enterochromaffin cells was found to be concentrated over the dense cores of the cytoplasmic granules. The majority of these granules was located in the basal cytoplasm of the enterochromaffin cells, but serotonin-immunoreactive granules were also observed in the apical cytoplasm immediately beneath the microvilli. These observations indicate that duodenal enterochromaffin cells are bipolar and that they secrete serotonin both basally, to the circulation, and apically, to the gut lumen. Rat duodenal enterochromaffin cells thus appear to have an exocrine as well as an endocrine function.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01239961
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  • 39
    Electronic Resource
    Electronic Resource
    Innervation of chromatophore muscle fibres in the octopus Eledone cirrhosa (1987)
    Springer
    Cell & tissue research 248 (1987), S. 675-682 
    Details
    ISSN: 1432-0878
    Keywords: Molluscan muscles ; Innervation ; Chromatophores ; Cephalopods ; Electron microscopy ; Eledone cirrhosa
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Cephalopod chromatophores are made of a central pigment cell surrounded by 10 to 20 radially arranged muscle fibres under direct nervous control. Innervation of these muscle fibres was studied with anterograde cobalt fills of peripheral nerve bundles and light and electron microscopy. Individual axons branch repeatedly to innervate the muscles of chromatophores scattered over several millimeters. Axons contained in several dermal nerves converge to innervate the same chromatophores. Among the chromaophores, axons were found running either singly or in small bundles, often accompanied by sheath cells. Single chromatophore muscles were innervated by at least one axon running across or along its length. Since nerves terminating on chromatophore muscles are very rare, neuromuscular contact seems to be made “en passant”. Varicosities of the axons apposed to the muscles are thought to be presynaptic sites. However, morphological differentiations of the pre-or post-synaptic membranes were not visible. Two types of innervating processes were found containing either electron-clear or a mixture of electron-clear and dark-core synaptic vesicles.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00216498
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  • 40
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    Electronic Resource
    Electron-microscopic characterization of adrenergic axon terminals in the diencephalon of the rat (1987)
    Springer
    Cell & tissue research 248 (1987), S. 393-398 
    Details
    ISSN: 1432-0878
    Keywords: Adrenaline ; Phenylethanolamine-N-methyl transferase ; Immunocytochemistry ; Electron microscopy ; Central nervous system ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The fine structure of adrenergic axon terminals was examined in the paraventricular nucleus of the thalamus (PNT) and in the hypothalamic arcuate nucleus-median eminence (ARC-ME) complex by use of phenylethanolamine-N-methyl transferase (PNMT) immunocytochemistry. In the PNT, immunoreactive terminals formed a dense and well-circumscribed plexus. In the ARC, labeled varicosities were less numerous and more evenly distributed. In the ME, they were scarce and confined to the inner zone. In all these areas, the diameter of immunoreactive varicosities ranged between 0.2 and 1.3 μm; in the ME and in the transitional zone between the ARC and the ME, a population of larger boutons (〉2 μm) was also visible. All immunoreactive varicosities exhibited densely packed small, clear vesicles associated with a few large granular vesicles. In the PNT and the ARC, but not in the ME, they formed synaptic contacts with dendritic elements and were occasionally apposed to neuronal cell bodies. These axo-somatic appositions showed no junctional specializations. In the ME and transitional zone, immunoreactive terminals were frequently juxtaposed to, and occasionally established differentiated synaptic contacts with, tanycytes. These data support a transmitter role for adrenaline in the diencephalon and suggest that adrenaline plays a role in hypothalamo-hypophysiotropic regulation through interactions with neural and glial elements.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00218207
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    Diversification of the myofibrillar M-band in rat skeletal muscle during postnatal development (1987)
    Springer
    Cell & tissue research 248 (1987), S. 169-180 
    Details
    ISSN: 1432-0878
    Keywords: M-band structure ; Fibre type ; Skeletal muscle ; Cryo ultramicrotomy ; Electron microscopy ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The fine structure of the M-band in soleus (SOL) and extensor digitorum longus (EDL) muscles in newborn and four-week-old rats was studied using electron-microscopic techniques. In newborn rats, all myotubes and fibres in both muscles had an identical myofibrillar appearance. A five-line M-band pattern was seen in longitudinal sections and distinct M-bridges in cross-sections. The Z-discs were of medium width. On the other hand, in four-week-old rats, different muscle fibre types were observed on the basis of their myofibrillar pattern. In SOL two fibre types were distinguished in longitudinal sections. One had a four-line M-band pattern and very broad Z-discs, whereas the other type had five lines in the M-band and broad Z-discs. In EDL, three different myofibrillar patterns were observed. The M-bands were composed of three, four or five lines. Fibres had either thin, broad or medium Z-disc widths, respectively. In cross-sections of the SOL muscle one group of fibres showed indistinct M-bridges, whereas distinct M-bridges were seen in the other fibres and in all observed EDL muscle fibres. We conclude that initially there seems to be a single intrinsic program for M-band genesis; this program becomes modified upon the induction of functionally differentiated fibres.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01239978
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  • 42
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    Electronic Resource
    Ultrastructural demonstration of nerve endings containing a substance related to growth hormone-releasing factor in the guinea-pig paraventricular nucleus (1987)
    Springer
    Cell & tissue research 248 (1987), S. 223-226 
    Details
    ISSN: 1432-0878
    Keywords: Human growth hormone-releasing factor (hGRF) ; Paraventricular nucleus ; Immunocytochemistry ; Electron microscopy ; Synapses ; Guinea pig
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary By means of a preembedding immuno-electronmicroscopic technique, a large number of nerve endings containing a substance related to human growth hormonereleasing factor (hGRF) have been demonstrated in the paraventricular nucleus of the guinea pig. They made synaptic contacts primarily with dendritic shafts: 80% of these contacts were symmetrical. The immunoprecipitate was located mainly in large granules and around small clear vesicles. These findings suggest that a peptide related to hGRF may play a role in neural communication in the paraventricular nucleus.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01239984
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  • 43
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    Electronic Resource
    Autonomic innervation of the arteriovenous anastomoses in the dog tongue (1987)
    Springer
    Cell & tissue research 247 (1987), S. 167-177 
    Details
    ISSN: 1432-0878
    Keywords: Arteriovenous anastomoses ; Autonomic innervation ; Synaptic vesicles ; Histochemistry ; Electron microscopy ; Tongue ; Dog
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The innervation of the arteriovenous anastomoses in the dog tongue has been investigated. At the lightmicroscopic level, the vessels were found to be densely supplied with adrenergic and AChE-positive nerve plexuses and less densely with the quinacrine-binding nerve plexus. At the electron-microscopic level, at least two apparently different types of axon profiles were identified: 1) Small vesicle-containing axons, characterized by many small granular vesicles, variable numbers of small clear vesicles and large granular vesicles. Storage of endogenous amines and uptake of exogenous amines into most small granular vesicles and many large granular vesicles was demonstrated. These axons stained only lightly with reaction products for AChE activity and thus seemed to be adrenergic in nature. Some axons contained numerous large granular vesicles, whose cores occasionally stained with uranyl ions; this suggests a co-localization of ATP or peptides as neurotransmitters. 2) Small granular vesicle-free axons, containing small clear vesicles and large granular vesicles in variable ratio. Most cores of these large granular vesicles were heavily stained with uranyl ions. No storage or uptake of amine into the synaptic vesicles was detected. Some axons appeared to be typically cholinergic, some, typically non-adrenergic, noncholinergic, and the rest, intermediate between the two. All axons stained heavily with reaction products for AChE activity, suggesting their cholinergic nature.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00216559
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    Electronic Resource
    The seminal vesicle of the African catfish, Clarias gariepinus (1987)
    Springer
    Cell & tissue research 247 (1987), S. 573-582 
    Details
    ISSN: 1432-0878
    Keywords: Seminal vesicle ; Histology ; Histochemistry ; Electron microscopy ; Physiology ; Clarias gariepinus
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The seminal vesicle of the African catfish, Clarias gariepinus, consists of 36–44 fingerlike lobes built up of tubules in which a fluid is secreted containing acid polysaccharides, acid-, neutral- and basic proteins, and phospholipids. In this fluid sperm cells are stored. The seminal vesicle fluid immobilizes the sperm cells. After ejaculation, it prolongs the period of sperm activity. The seminal vesicle fluid is secreted by the epithelium lining the tubules. The tubules in the proximal part of the lobes are predominantly lined by a simple cylindrical and those of the distal part by a simple squamous epithelium. These epithelial cells contain enzymes involved in energy-liberating processes, the enzyme activites being proportional to the height of the cells. Interstitial cells between the tubules have enzyme-histochemical and ultrastructural features indicative of steroid biosynthesis. Similar characteristics are found in testicular interstitial cells. The most rostral seminal vesicle lobes and the most caudal testicular efferent tubules form a network of tubules that opens at the point where the paired parts of the sperm ducts fuse with each other. The tubules of most seminal vesicle lobes, however, form a complex system that fuses with the unpaired part of the sperm duct.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00215751
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    Demonstration of microtubules in the terminal web of mature absorptive cells from the small intestine of the rat (1987)
    Springer
    Cell & tissue research 248 (1987), S. 709-711 
    Details
    ISSN: 1432-0878
    Keywords: Microtubules ; Terminal web ; Small intestine ; Electron microscopy ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The terminal web (TW) region of mature absorptive cells in the small intestine of the rat contains an elaborate cytoskeleton which supports the apical microvillus membrane. In studies regarding the structural organization of the cytoskeleton and associated proteins in the small intestine, microtubules have not been mentioned as components of the TW. By transmission electron microscopy of conventional resin-embedded sections of rat small intestine, we observe many microtubule profiles in the TW of mature absorptive cells. These microtubules are found in various orientations, although most course parallel to the long axis of the cell, and many microtubule profiles are seen in close association with smooth-surfaced vesicles.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00216503
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  • 46
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    Ultrastructural distribution of alpha-bungarotoxin binding sites in the suprachiasmatic nucleus of the rat hypothalamus (1987)
    Springer
    Cell & tissue research 250 (1987), S. 13-20 
    Details
    ISSN: 1432-0878
    Keywords: Alpha-bungarotoxin ; Autoradiography ; Cholinergic receptors ; Electron microscopy ; Suprachiasmatic nucleus ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The distribution of (125I) alpha bungarotoxin (α-BTX) binding sites in the suprachiasmatic nucleus (SCN) of the adult female rat was examined by electron-microscopic autoradiography. The ultrastructural distribution of silver grains was analysed by line source, direct point count, and 50% probability circle methods. Real grain distribution was significantly different from that of randomly generated hypothetical grains. Line source analysis demonstrated two populations of sources: one associated with membranes, and one inside neuronal structures. Probability circle analysis of shared grains indicated that membrane-bound-radioactive sources were mainly asssociated with axo-dendritic appositions. Only a small proportion of labeled neuronal interfaces exhibited synaptic differentiations in the plane of section. However, the compartment containing synaptic terminals was the most enriched when comparing real to hypothetical grains. Probability circle analysis of exclusive grains demonstrated that sources that were not associated with neuronal plasma membranes were likely to be within nerve cell bodies and dendrites. It is concluded that the majority of specifically labeled α-BTX binding sites in the SCN is membrane bound, and may be associated with axodendritic synaptic transmission. The presence of a significant proportion of the label in the soma and dendrites of suprachiasmatic neurons 24 h after ventricular infusion suggests that some of the labeled binding sites (junctional or nonjunctional) may be internalized within these two compartments.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00214648
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  • 47
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    Electronic Resource
    Immunocytochemistry of contractile and cytoskeletal proteins in smooth muscle: Lowicryl, LR White, and polyvinylalcohol compared (1987)
    Springer
    Protoplasma 139 (1987), S. 160-169 
    Details
    ISSN: 1615-6102
    Keywords: Cytoskeleton ; Contractile proteins ; Lowicryl ; LR White ; Polyvinylalcohol ; Immunogold staining ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Three embedding media have been compared with respect to post-embedding immunolabeling of contractile and cytoskeletal antigens in aldehyde-fixed smooth muscle tissue: the methacrylate derivates lowicryl K4M (cured at −35 or 60°C) and LR White (cured at 0 or 60°C) and the water soluble resin, polyvinylalcohol (dried at 60°C). Measurements of intensity of labeling of ultrathin sections in the fluorescence microscope showed that five antigens (actin, myosin light chain, tropomyosin, filamin and vinculin) reacted more or less equally with their respective antibodies in all the embedding media, including those cured at 60°C. One antibody (anti-light meromyosin) reacted well only with polyvinylalcohol-embedded tissue. In contrast to the relative invariance of antibody reactivity between media clear differences in the preservation of ultrastructural integrity were observed. Embedding in polyvinylalcohol (dried at 60°C) and in Lowicryl (cured at −35°C) resulted in superior preservation as compared to Lowicryl or LR White cured at 60°C. Examples of uitrastructural immunocytochemistry with the antibodies against filamin and myosin light chain, using the immunogold staining procedure are presented: the sites of localization by these antibodies were the same with all the media tried. The relative merits of the different methods are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01282287
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    Morphology and development of rhabdovirus-like particles inCuscuta odorata (Convolvulaceae) simultaneous infected with virus and mycoplasma-like organisms (1987)
    Springer
    Protoplasma 139 (1987), S. 130-140 
    Details
    ISSN: 1615-6102
    Keywords: Cytopathology ; Rhabdovirus ; Development ; Electron microscopy ; Cuscuta
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Electron microscopic examination ofCuscuta odorata, used for transmission trials, revealed mycoplasma-like organisms (MLO) as well as rhabdovirus-like particles, unknown toCuscuta. The virus infection is confined to certain phloem-parenchyma cells and a 1–2 cell thick layer of parenchyma cells with thickened walls surrounding the central cylinder. Virus particles, mostly bacilliform, could be detected mainly in the nucleus but also in the cytoplasm. They reach a length of 350–400 nm and a diameter of approximately 75 nm. Virus assembly takes place exclusively in the nucleus. Virus maturation occurs in membrane bound areas within the nucleus, which have no connection with the perinuclear space. Formation of nucleocapsids is always associated with a nuclear viroplasm. Envelopment of virus particles occurs in these membrane bound areas. Budding into the perinuclear space does not occur. Virus infection leads to degeneration and finally to death of the protoplast.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01282283
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    A light and electron microscope study ofPicea glauca (White spruce) somatic embryos (1987)
    Springer
    Protoplasma 140 (1987), S. 100-109 
    Details
    ISSN: 1615-6102
    Keywords: Actin ; Conifer ; Electron microscopy ; Picea glauca ; Somatic embryo ; Tissue culture ; Ultrastructure ; White spruce
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary Somatic embryos in embryogenic callus cultures derived from Immature zygotic embryos ofPicea glauca (White spruce) were examined by light and electron microscopy. Somatic embryos consist of an embryonic region of small densely cytoplasmic cells subtended by a suspensor consisting of long highly vacuolated cells. Mitotic figures are frequent in the embryonic cells but are not observed in the suspensor. Cell divisions in the embryonic region apparently produce rows of cells which elongate to form the suspensor. The presence of abundant polysomes, coated membranes and dictyosomes in the cytoplasm of embryonic and upper suspensor cells suggests rapid growth of the embryo. In contrast the basipetal suspensor cells appear to be senescing. While only a few scattered microfilaments are present in the meristematic cells, the upper suspensor cells contain numerous bundles of longitudinally oriented microfilaments. These bundles correspond to actin cables observed in light microscope preparations stained with rhodamine labelled phalloidin and are oriented parallel to the direction of active streaming in these cells.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01273718
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  • 50
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    Further electron microscope observations on polyethylene I. Granule structure of the melt as an artifact (1987)
    Springer
    Colloid & polymer science 265 (1987), S. 855-859 
    Details
    ISSN: 1435-1536
    Keywords: Electron microscopy ; polyethylenemelt ; fine structure ; artifact
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract There are still two opinions on the fine structure of polymer melts and glasses: (a) that the structure is similarly homogeneous to that in lower molecular weight materials and (b) that the structure shows larger short-range order regions (2–20 nm), which consist of bundeled segments of the chain molecules. Whereas opinion a relies more on indirect methods of investigation, opinion b is based mainly on fine granular structures which become visible in electron microscope investigations of surfaces of glassy solidified polymers. Such a fine structure can now be observed directly in a polyethylene melt. However, the structure is exposed as an artifact, so opinion a is supported.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01421812
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    Light and electron microscopic studies of localized laryngeal amyloidosis (1987)
    Springer
    European archives of oto-rhino-laryngology and head & neck 244 (1987), S. 180-184 
    Details
    ISSN: 1434-4726
    Keywords: Localized laryngeal amyloidosis ; Light microscopy ; Electron microscopy ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary We performed light and electron microscopic studies in a case of localized supraglottic laryngeal amyloidosis involving a 55-year-old woman. Tissue specimens were stained with hematoxylin and eosin, and alkaline Congo red with or without permanganate (KMnO4) treatment, and were also examined with peroxidase-antiperoxidase immunohistochemistry. Biopsy specimens from the epiglottis showed diffuse replacement of the subepithelial region by amyloid, which showed a typical green birefringence under polarized light. Tissue affinity for Congo red was persistent after the KMnO4 treatment. However, the tissue sections showed a positive reaction only to the anti-P component antibody. Electron microscopic studies revealed some disorders of the plasma cells, suggesting that these cells play an important role in focal production of amyloid fibrils.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00464264
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    An immunohistochemical and electron microscopic study of a central venous hemangioma of the mandible (1987)
    Springer
    European archives of oto-rhino-laryngology and head & neck 244 (1987), S. 30-35 
    Details
    ISSN: 1434-4726
    Keywords: Central venous hemangioma ; Mandible ; Immunohistochemistry ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary To date, 96 cases of central hemangiomas of the jawbones have been described in the literature. Of these cases, the mandible has been more affected than the maxilla, while approximately 50% of all cases occur in the first and second decades of life. Histopathologically, cavernous and capillary types are often found, in contrast to the central venous type, which is rare. We have recently treated a 44-year-old man, who was found to have a central venous hemangioma in his mandible. Immunohistochemical studies were performed using factor-VIIIrelated antigen as well as various lectins as markers for tumor endothelial cells. Our results showed that four kinds of lectins (UEA-I, PNA, ConA, and DBA) were useful for the marker as factor-VIII-related antigen. Scanning electron microscopic findings of this tumor demonstrated that the lumina of the blood vessels were more rough, while the lining endothelial cells were more irregular when compared with those of the normal vascular system.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00453488
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    Light and electron microscopic studies of a case with simultaneous Mondini and Michel deformities of the inner ears (1987)
    Springer
    European archives of oto-rhino-laryngology and head & neck 243 (1987), S. 361-365 
    Details
    ISSN: 1434-4726
    Keywords: Human inner ear ; Congenital anomalies ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary We performed light and electron microscopic studies on the temporal bones of a patient with genetic aplastic deafness, in which the right ear had a Mondini-type defect and the left ear a Michel-type anomaly. The round window of each ear was absent. The stapedial foot plate of the right ear was depressed at its central part and was covered by thin membrane. The course of the internal auditory meatus of the left ear was deviated ventrally. There was total aplasia of the cochlea in the left ear, while that of the right ear showed only three-quarters of a turn. In this ear, three sites of spherical bulging were found and were believed to represent outer hair cells. Other structures of the normal cochlear duct were not present. The modiolus of the left ear was round and dome-shaped, contained sparse nerve fibers and a primitive spiral ganglion. The saccule, utricle and semicircular canals of each ear were missing, so that a common cavity of the vestibular system was present. Several otoliths could be seen under the surface of the membrane covering the common cavity. No sensory cells or their related tissues could be found in either ear.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00464642
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    The significance of calcium antagonists in rat experimental tympanosclerosis (1987)
    Springer
    European archives of oto-rhino-laryngology and head & neck 243 (1987), S. 382-386 
    Details
    ISSN: 1434-4726
    Keywords: Experimental tympanosclerosis ; Calcium antagonists ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The effect of calcium antagonists in experimental tympanosclerosis following infection with Streptococcus pyogenes and vitamin D3 intoxication has been analyzed in a rat animal model. Compared with untreated animals, calcium antagonists exert a positive effect on the degenerative process and on secondary calcification in the subepithelial layer. This effect could be substantiated planimetrically.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00464647
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    Computer enumeration and generation of physical trees (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 549-554 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: A computer-oriented method for the enumeration and generation of physical trees is presented. Physical trees depict acyclic chemical structures, but the term physical is used to stress the process by which the structures are produced.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080435
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    Announcement (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 562-562 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080437
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    Masthead (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987) 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080501
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    Towards a quantum chemical software package utilizing transferable fragments as molecular building blocks (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 555-561 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Computer programs have been developed or are under development for the IBM personal computer that enable their users to get information on atomic charges, electrostatic potentials, conformational and other properties of molecular systems containing H, C, N, O, F, Si, P, S, or Cl atoms. The zero-order wavefunction is constructed of strictly localized molecular orbitals with fixed atomic orbital coefficients. The wave function can be refined by optimizing these coefficients, i.e., considering inductive effects via a coupled set of 2 × 2 secular equations within the CNDO/2 approximation. Delocalization and exchange effects are accounted for by expanding the wavefunction on a basis of the aforementioned strictly localized orbitals, instead of conventional atomic orbitals, and solving the corresponding SCF equations. Our method has been applied to the study of large systems. We calculated the electrostatic field of the complex of β-trypsin and basic pancreatic trypsin inhibitor and it has been found that strong field regions more or less coincide with hydration sites. A further potential application of protein electrostatic fields is in NMR spectroscopy. We found a linear correlation between CαH or backbone NH proton chemical shifts and the protein field at the site of the corresponding proton. At last, we propose a simple method to mimic the bulk around atomic clusters modeling crystalline and amorphous silicon. Based on this method we found a linear correlation between atomic net charges and bond angle distortions in silicon clusters with 35 atoms.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080436
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    Strain energy minimization study of the mechanism of, and the barrier to, conformational interconversion in five-membered diamine chelate rings (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 651-657 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The method of Lagrangian multipliers is used to constrain torsion angles during molecular mechanics refinement for the purpose of plotting strain energy against a reaction coordinate. A complete two-dimensional analysis of the conformational interconversion from δ- to λ-[Co(ethane-1,2-diamine) (NH3)4]3+ reveals a mechanism in which the transition state geometry has an envelope conformation and an inversion barrier of 15.7 kJ mol-1. Substitution at the carbon atoms, variation of the metal-nitrogen distance, and replacement of the amine ligands with bidentate amines only slightly alters the inversion barrier. Substitution at the nitrogen atoms of the bidentate ligand increases the inversion barrier significantly to 24.6 kJ mol-1 for (N,N,N′,N′-tetramethylethane-1,2-diamine) [(NH3)4]3+.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080510
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    Two approaches to the calculation of molecular resonance states: Solution of scattering equations and matrix diagonalizationPresented at the Symposium on Computation and Mathematical Chemistry, Saskatoon, Canada, June 1-4, 1986. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 683-699 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: We have analyzed two approaches to reproduce the resonance expansion of the scattering matrix appropriate for the calculation of molecular resonance states. The first is based on the resonance theory of Siegert-Humblet-Rosenfeld (SHR) and the second on the Fano-Feshbach formalism. The direct method of calculating the resonance expansion characteristics, devised on the basis of the SHR theory, makes it possible to obtain the energies and partial widths (detailed decay rate constants) of resonances. The Fano-Feshbach formalism, on the other hand, elucidates the resonance state as a concept and facilitates the interpretation of calculation results. The use of computational methods is illustrated by the study of the decay of a model triatomic system and of gas-phase nucleophilic substitution reactions. Used in the latter case is the division of all degrees of freedom of the reacting system into the adiabatic and dynamic ones along with an algorithm of inclusion of the restricted dynamical treatment in the calculation of reaction rate constants.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080514
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    The inverse problem of isomer enumerationPresented at the Symposium on Computation and Mathematical Chemistry, Saskatoon, Canada, June 1-4, 1986. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 700-717 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The present article addresses the problem of identifying the structure of a parent compound through its chemical fingerprints such as the various numbers of isomeric substitution patterns, along the lines of Kekulé when he arrived at his benzene formula. In a pioneering paper (1929), Lunn and Senior laid out the conceptual framework for the permutation group description of substitution isomerism. It remained, however, for Pólya's celebrated contribution (1937) to initiate the actual mathematical realization of their vision. Pólya supplied the tools for solving the isomer enumeration problem: given a (symmetrical) parent compound, enumerate its spectrum of substitution patterns. The converse problem, though ranked the more interesting one by Lunn & Senior, hardly received any mathematical attention. The present article offers a complete and effective solution.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080515
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    Molecular graphs as topological objects in spacePresented at the Symposium on Computation and Mathematical Chemistry, Saskatoon, Canada, June 1-4, 1986. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 718-726 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Stereochemistry deals primarily with distinctions based on rigid geometry, e.g., bond angles and lengths. But some chemical species have molecular graphs (such as knots, catenanes, and nonplanar graphs K5 and K3.3) that reside in space in a topologically nontrivial way. For such molecules there is hope of using topological methods to gain chemical information. Viewing a molecular graph as a topological object in space makes it unrealistically flexible; but if one proves that a certain graph is “topologically chiral” or that two graphs are “topological diastereomers,” then one has ruled out interconversion under any physical conditions for which the molecular graph still makes sense. In this paper, we consider several kinds of topological questions one might ask about graphs in space, methology and results available, and specific topological properties of various molecules.
    Additional Material: 12 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080516
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    Hartree Fock instabilities of sulfur-nitrogen ring systems: S2N2Presented at the Symposium on Computation and Mathematical Chemistry, Saskatoon, Canada, June 1-4, 1986 (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 727-735 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The Hartree-Fock instablities of S2N2 are reported and compared with those of S3N3- and S4N42+. These unsaturated sulfur nitrogen planar rings are π electron rich and although the symmetry adapted HF solutions are singlet stable at the experimental bond lengths they become unstable with only a very modest increase in bond length. The broken symmetry solutions for S2N3, S3N3-, and S4N42+ are of planar C2v type with one of the nitrogens stripped of its π electrons, producing a π hole.
    Additional Material: 13 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080517
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    Masthead (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987) 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080601
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    Ab-initioMRD-CI calculations on a C—NO2 decomposition pathway of nitrobenzenePresented at the Symposium on Computation and Mathematical Chemistry, Saskatoon, Canada, June 1-4, 1986. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 736-743 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: To study molecular decomposition pathways it is necessary to use ab initio multireference determinant-configuration interaction or MCSCF (multiconfiguration SCF) calculations. The MRD-CI (multireference double excitation-configuration interaction technique of Buenker and Peyerimhoff) calculations on the decomposition pathway of nitrobenzene were carried out using all of the occupied molecular orbitals in the region of the bond being dissociated, plus all of the virtual orbitals. An effective CI Hamiltonian was used into which were folded the effects of all of the occupied molecular orbitals from which excitations were not allowed. So far we have investigated the lowest 1A1, 3A1, 1A2, 3A2, 1B1, 3B1, 1B2, 3B2 states and are investigating the higher states. Our results show a wealth of structure in the potential energy surfaces for the various electronic states of nitrobenzene as a function of distance. A number of the states are predissociative and change dominant configuration one or more times along these potential energy surfaces.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080518
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    Hamiltonian dynamics of chemical reactions. Consecutive first-order reactions and reactions possessing one autocatalytic intermediatePresented at the Symposium on Computation and Mathematical Chemistry, Saskatoon, Canada, June 1-4, 1986. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 744-751 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: A recently proposed Hamiltonian approach to phenomenological chemical kinetics [T. Georgian and G.L. Findley, Int. J. Quantum Chem., Quantum Biol. Symp. 10, 331 (1983); T. Georgian, J.M. Halpin, and G.L. Findley, Int. J. Quantum Chem., Quantum Biol. Symp. 11, 347 (1984)] is applied to all consecutive first-order, single-step reactions, and to all reactions possessing one autocatalytic intermediate. The reaction Hamiltonians presented are shown to be consistent with the phenomenological rate equations and the relationship between reaction form and the form of the reaction potential is discussed. In particular, we show: (1) that the interaction between consecutive reactions manifests itself as a coupling term in the reaction potential, a term which may be eliminated via transition to “normal reaction coordinates” for the chemical system; and (2) that coupled sets of autocatalytic reactions give rise to coupling terms in the reaction Hamiltonian which are characteristic of the reaction mechanism.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080519
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    Column design. 3. Theoretical studies of a chiral stationary phase used in column chromatography (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 753-760 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Conformational features of a chiral stationary phase used in column chromatography are discussed. The syn forms invoked in chiral recognition models are consistent with MNDO and MM2 calculations. It is speculated that the inherent flexibility of the syn form makes these phases effective templates for analyte binding.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080602
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    Ab initio study of the He(1S)-Li2(X̃, 1∑g+) interaction by the SCF and MP2 methods (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 761-771 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Ab initio electronic structure calculations have been carried out for the He(1S)-Li2 (X̃, 1∑g+) interaction both by the single-configuration SCF and correlated second-order MP2 methods using an extended basis set. From these calculations, an estimate of the isotropic (V0) and first two anisotropic (V2 and V4) terms of the He-Li2 potential surface has been obtained. An assessment of the leading induced-dipole-induced-dipole dispersion energy is presented from the MP2 energies. Where possible, a comparison is made with previous unpublished ab initio calculations by Staemmler and Stahl using the CEPA method.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080603
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    CNDO Force constants for glucose (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 772-777 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Force constants for both anomers of glucose are evaluated using CNDO/Force method.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080604
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    Electrostatic interaction of a solute with a continuum. Improved description of the cavity and of the surface cavity bound charge distribution. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 778-787 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Algorithms for a finer description of cavities in continuous media and for a more efficient selection of sampling points on the cavity surface are described. Applications to the evaluation of solute surface and volume and to the calculation of the solute-solvent electrostatic interaction energy, as well as of the cavitation energy are shown as examples.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080605
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    A study of basis set effects on structures and electronic structures of phosphine oxide and fluorophosphine oxide (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 788-793 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: A variety of basis sets have been used for geometric and electronic structure studies. Electronic effects were measured using integrated spatial electron populations (ISEP). The two largest basis sets used, 6-31G* and DZ+P, give significantly different results. Use of two d-orbital sets (6-31G*[dd]) or decontraction of the 2sp shell on phosphorus has little further effect. d-Orbitals on oxygen are required for consistent electronic structure results, and d-orbitals on fluorine have a small but significant effect. Use of diffuse functions, required for anions, is not recommended with small basis sets on neutral molecules. Large negative charges (≈-1.5) on oxygen are given by all of the larger basis sets by the ISEP procedure and indicate that the PO bond in these compounds is largely semi-polar. The best simple symbolic representation of phosphine oxide is H3P+—0-, rather than H3P=0.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080606
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    Basis set and correlation effects on computed positive ion hydrogen bond energies of the complexes AHn · AHn + 1+1: AHn = NH3, OH2, and FH (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 810-815 
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    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Basis set expansion and correlation effects on computed hydrogen bond energies of the positive ion complexes AHn · AHn + 1+1, for AHn = NH3, OH2 and FH, have been evaluated. The addition of diffuse functions on nonhydrogen atoms is the single most important enhancement of split-valence plus polarization basis sets for computing hydrogen bond energies. Basis set enhancement effects appear to be additive in these systems. The correlation energy contribution to the stabilization energies of these complexes is significant, with the second order term being the largest term and having a stabilizing effect. The third order term is smaller and of opposite sign, while the fourth order term is smaller yet and stabilizing. As a result, computed MP4 stabilization energies are bracketed by the MP2 and MP3 energies. The overall effect of basis set enhancement is to decrease hydrogen bond energies, whereas the addition of electron correlation increases stabilization energies.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080609
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    A powerful truncated Newton method for potential energy minimizationThis work would not have been possible without the expert contibutions of Charles Peskin and Suse Broyde. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1025-1039 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: With advances in computer architecture and software, Newton methods are becoming not only feasible for large-scale nonlinear optimization problems, but also reliable, fast and efficient. Truncated Newton methods, in particular, are emerging as a versatile subclass. In this article we present a truncated Newton algorithm specifically developed for potential energy minimization. The method is globally convergent with local quadratic convergence. Its key ingredients are: (1) approximation of the Newton direction far away from local minima, (2) solution of the Newton equation iteratively by the linear Conjugate Gradient method, and (3) preconditioning of the Newton equation by the analytic second-derivative components of the “local” chemical interactions: bond length, bond angle and torsional potentials. Relaxation of the required accuracy of the Newton search direction diverts the minimization search away from regions where the function is nonconvex and towards physically interesting regions. The preconditioning strategy significantly accelerates the iterative solution for the Newton search direction, and therefore reduces the computation time for each iteration. With algorithmic variations, the truncated Newton method can be formulated so that storage and computational requirements are comparable to those of the nonlinear Conjugate Gradient method. As the convergence rate of nonlinear Conjugate Gradient methods is linear and performance less predictable, the application of the truncated Newton code to potential energy functions is promising.
    Additional Material: 3 Tab.
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    URL: http://dx.doi.org/10.1002/jcc.540080711
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    An efficient newton-like method for molecular mechanics energy minimization of large molecules (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1016-1024 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Techniques from numerical analysis and crystallographic refinement have been combined to produce a variant of the Truncated Newton nonlinear optimization procedure. The new algorithm shows particular promise for potential energy minimization of large molecular systems. Usual implementations of Newton's method require storage space proportional to the number of atoms squared (i.e., O(N2)) and computer time of O(N3). Our suggested implementation of the Truncated Newton technique requires storage of less than O(N1.5) and CPU time of less than O(N2) for structures containing several hundred to a few thousand atoms. The algorithm exhibits quadratic convergence near the minimum and is also very tolerant of poor initial structures. A comparison with existing optimization procedures is detailed for cyclohexane, arachidonic acid, and the small protein crambin. In particular, a structure for crambin (662 atoms) has been refined to an RMS gradient of 3.6 × 10-6 kcal/mol/Å per atom on the MM2 potential energy surface. Several suggestions are made which may lead to further improvement of the new method.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080710
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    On the out-of-plane deformation of aromatic rings, and its representation by molecular mechanics (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1051-1056 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: It has been found that the previous MM2 (or MMP2) description of out-of-plane deformation of aromatic rings sometimes yields distortions which are much too large. As a result, rotational barriers involving distortions of such rings may be calculated to have values which are too low. Examples are collected and discussed. An alternative formulation, which appears to significantly reduce the calculational error, is presented.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080713
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    Scientific and engineering applications with personal computer, r. annino and r.d. driver. wiley, new york, 1986, $45.00, 577 pp. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1066-1067 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080715
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    Molecular orbital calculations on solvents and other small molecules: Correlation between electronic and molecular properties ν, αMOL, π*, and β. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1084-1089 
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    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Molecular orbital calculation by the MINDO/3 method are reported for 50 compounds used as solvents in chemical reactions. Relationships between various parameters of electronic structure and molecular properties such as dipole moment, polarizability and Taft solvent parameters are presented. Comparison between experimental values of π* and calculated values is given.
    Additional Material: 5 Tab.
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    URL: http://dx.doi.org/10.1002/jcc.540080803
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    Systematic drug receptor mapping: A new approach to the analysis of conformational energy calculations of flexible molecules with application to dopaminergic and adrenergic agonists (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1075-1083 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The computer program PRODIS is used to find low energy conformations of flexible molecules by searching the potential energy surface(s) of one or more torsion angles via rigid rotation. The n-dimensional grid of energy versus torsion angles is then converted to a Boltzman probability distribution, with the probability being represented not as a function of torsion angle, but rather a distance between two atoms. These atoms are chosen by comparison with a known, active analogue in which certain atoms have previously been determined as requirements for drug activity. PRODIS produces a list of low energy conformations, their corresponding interatomic distances and the Boltzman probability for each distance ±0.125, as well as the total probability for each conformation. The user also specifies a target interatomic distance and range (usually derived from a more rigid analogue) for which PRODIS lists all conformations and their Boltzman probability that meet this distance.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080802
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    On the use of constraints in molecular mechanics. II. The Lagrange multiplier method and non-full-matrix Newton-Raphson minimization (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1099-1103 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: It is shown how the Lagrange Multiplier method for constrained minimization can be implemented in a molecular mechanics program using the common approximations to the full-matrix Newton-Raphson minimization. The method reduces the number of cycles to achieve convergence, and also stabilizes the refinement process. Increases in computer memory requirements are small. As an application, the conformational surface of cycloheptane is calculated.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080805
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    Molecular mechanics study of myelin basic protein (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1104-1108 
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    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Myelin basic protein (MBP) is the major extrinsic protein of the myelin sheath in the central nervous system. We have examined the predicted structure of segments of MBP using the molecular mechanics program ECEPP83 developed by Scheraga and coworkers as modified by Chuman, Momany, and Schafer. We have focused upon segments containing the Pro-Pro-Pro sequence (residues 100-102), which have been predicted from standard algorithms to exist in a hairpin loop connecting anti-parallel beta-strands. Both the shorter (98-105, 99-105, and 100-105) and longer segments (87-109, 87-118, and 87-120) have been examined. These results indicate potential for a chain reversal in this region. The shorter segments have been studied by others using NMR techniques and the results are compared.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080806
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    An evaluation of the performance of diffuse function-augmented basis sets for second row elements, Na-ClPart IV of a series on Efficient Diffuse Function-Augmented Basis Sets for Anion Calculation. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1109-1116 
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    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The energetic effects of the addition of diffuse functions to molecules with second-row elements are much less dramatic than those for their first-row counterparts. Although diffuse functions on second-row elements have little effect on the geometries and vibrational frequencies of neutral molecules, significant changes are found for anions. While the largest basis set, 6-31 + G*, generally performs best, the results at 3-21 + G* are comparable, and this basis can be recommended for practical applications.
    Additional Material: 10 Tab.
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    URL: http://dx.doi.org/10.1002/jcc.540080807
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    Semi-empirical calculations of molecular trajectories: Method and applications to some simple molecular systems (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1117-1123 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The MNDO Hamiltonian as incorporated within MOPAC has been utilized to predict dynamics for some simple reactions. In one option, the intrinsic reaction coordinate has been followed along the path of steepest descent from the transition state backward to reactants and forward to products. In a second option, dynamics of isolated molecular systems have been calculated. In each case, the potential surface (as predicted by the MNDO Hamiltonian) is calculated in situ as the atomic trajectories are calculated from Newton's Laws of Motion. Several specific examples are given and discussed.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080808
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    Cooperative effects in extended hydrogen bonded systems involving O—H groups. Ab initio studies of the cyclic S4 water tetramer (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1090-1098 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The additional energy stabilization due to cooperative effects was calculated in extended hydrogen bonded systems O—H⃛O—H⃛O—H with unidirectional (homodromic) orientation of the O—H groups. Ab initio restricted Hartree Fock, MP2 and MP3 calculations with geometry optimization and BSSE correction have been performed using the GAUSSIAN 83 program package for the ground states of the linear water dimer with Cs symmetry and the cyclic water tetramer with S4 symmetry. The latter represents the smallest possible, experimentally observed cooperative structure. A new definition for a cooperativity parameter is proposed. The definition is based on the two-body, non-neighbour interaction energy, plus three- and four-body contributions, including one-body deformation terms in relation to the total interaction energy of the water tetramer. The advantage of this definition is its independence of the reference system, which is necessary in complicated molecular systems with an undefined number of hydrogen bonds, such as disordered or flip-flop systems. According to this definition the energy gain based on cooperativity in the S4 water tetramer is 29% with the MP3/6-31G** approximation, (30% with HF/4-31G* and 46% with HF/3-21G). The largest contribution of 18% is due to the three-body term on the MP3/6-31G** level, followed by the two-body, non-neighbour term with 11%. The four-body term and the deformation term are in the order of 1% and cancel each other because they have opposite sign.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080804
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    Nonbonded interactions. 1. Anisotropic hydrogen-hydrogen interactions (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1124-1130 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The hydrogen-hydrogen nonbonded potential which may be derived from the calculated interactions between hydrogen molecules has been obtained. The best three-parameter Buckingham function gave an RMS error of 0.18 kcal/mol in fitting Price and Stone's ab initio data for 130 pairs of hydrogen molecules, which may be compared with an RMS error of 0.74 kcal/mol using the parameters in the MM2 force field. Burton's basis set is also considered. A better fit to these data requires that the angular relationship between the bonds be included. The data for hydrogen as well as experimental data for chlorine show that these atoms appear “larger” normal to the bond axis than along the axis, and this is probably also the case for other atoms. When simple angular terms are added it is possible to fit the Price and Stone data set with an RMS error of less than 0.06 kcal/mol. The preferred function was: V = [a0 + a1(sin θ1 + sin θ2)4 + a2r]e-3r - [c0 + c1(1 + sinθ1sinθ2)]/r5. Deficiencies in the current ab initio data are discussed.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080809
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  • 85
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    An analysis of the structural and energetic properties of deoxyribose by potential energy methods (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1199-1224 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: We discuss the three fundamental issues of a computational approach in structure prediction by potential energy minimization, and analyze them for the nucleic acid component deoxyribose. Predicting the conformation of deoxyribose is important not only because of the molecule's central conformational role in the nucleotide backbone, but also because energetic and geometric discrepancies from experimental data have exposed some underlying uncertainties in potential energy calculations. The three fundamental issues examined here are: (i) choice of coordinate system to represent the molecular conformation; (ii) construction of the potential energy function; and (iii) choice of the minimization technique. For our study, we use the following combination. First, the molecular conformation is represented in cartesian coordinate space with the full set of degrees of freedom. This provides an opportunity for comparison with the pseudorotation approximation. Second, the potential energy function is constructed so that all the interactions other than the nonbonded terms are represented by polynomials of the coordinate variables. Third, two powerful Newton methods that are globally and quadratically convergent are implemented: Gill and Murray's Modified Newton method and a Truncated Newton method, specifically developed for potential energy minimization. These strategies have produced the two experimentally-observed structures of deoxyribose with geometric data (bond angles and dihedral angles) in very good agreement with experiment. More generally, the application of these modeling and minimization techniques to potential energy investigations is promising. The use of cartesian variables and polynomial representation of bond length, bond angle and torsional potentials promotes efficient second-derivative computation and, hence, application of Newton methods. The truncated Newton, in particular, is ideally suited for potential energy minimization not only because the storage and computational requirements of Newton methods are made manageable, but also because it contains an important algorithmic adaptive feature: the minimization search is diverted from regions where the function is nonconvex and is directed quickly toward physically interesting regions.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080817
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  • 86
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    Scanning Tunneling Microscopy - from Birth to Adolescence (Nobel Lecture)Copyright © The Nobel Foundation 1987.-We thank the Nobel Foundation, Stockholm, for permission to print this article. (1987)
    Weinheim : Wiley-Blackwell
    Angewandte Chemie International Edition in English 26 (1987), S. 606-614 
    Details
    ISSN: 0570-0833
    Keywords: Scanning probe microscopy ; Nobel lecture ; Electron microscopy ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/anie.198706061
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    The Development of the Electron Microscope and of Electron Microscopy (Nobel Lecture)Copyright © The Nobel Foundation 1987. - We thank the Nobel Foundation, Stockholm, for permission to publish this article. (1987)
    Weinheim : Wiley-Blackwell
    Angewandte Chemie International Edition in English 26 (1987), S. 595-605 
    Details
    ISSN: 0570-0833
    Keywords: Electron microscopy ; Nobel lecture ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 17 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/anie.198705953
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  • 88
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    Masthead (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987) 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080101
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  • 89
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    Recursion formulae for calculation of overlap integrals (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 1-5 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Multi-ζ Slater-type orbitals are frequently used in molecular orbital calculations. Master formulae and numerical tables are available in literature for overlap integrals between s, p, and d atomic orbitals up to principal quantum number (n) = 3 and for some other selected quantum numbers. However, no master formula or numerical table is available for quantum numbers n = 5 and above and involving ƒ orbitals. In this article recursion formulae have been presented for the calculation of the overlap integral between any two s, p, d, and ƒ atomic orbitals formed by a linear combination of Slater-type orbitals. These formulae, when expanded, would give rise to all the master formulae reported in the literature as well as formulae hitherto unreported.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080102
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  • 90
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    Molecular modeling of polymers: I. Correct and efficient enumeration of intrachain conformational energetics (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 28-38 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Polymer conformational analyses can require being able to model the intramolecular energetics of a very long (infinite) chain employing calculations carried out on a relatively short chain sequence. A method to meet this need, based upon symmetry considerations and molecular mechanics energetics, has been developed. Given N equivalent degrees of freedom in a linear polymer chain, N unique molecular groups are determined within the chain. A molecular unit is defined as a group of atoms containing backbone rotational degrees of conformational freedom on each of its ends. The interaction of these N molecular groups, each with a finite number of nearest neighbors, properly describe the intramolecular energetics of a long (infinite) polymer chain. Thus, conformational energetics arising from arbitrarily distant neighbor interactions can be included in the estimation of statistical and thermodynamic properties of a linear polymeric system. This approach is called the polymer reduced interaction matrix method (PRIMM) and the results of applying it to isotactic polystyrene (I-PS) are presented by way of example.
    Additional Material: 10 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080104
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  • 91
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    Recent advances in multireference second order perturbation CI: The CIPSI method revisited (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 39-47 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The evolution of the CIPSI method, with the latest modifications recently implemented in our laboratory, is described. A new version, based on a diagrammatic technique, is presented. Test calculations which have been run on water, ethylene, and transacrolein, show that the new method is a powerful tool for the study of medium-size molecular systems.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080105
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  • 92
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    The role of d functions in ab initio calculations. II. The deformation densities of SO2, NO2, and their ions (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 6-27 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Comparison of the optimized geometries and SCF energies for the series XO2+, XO2, XO2-, XO2-, with X = S,N shows that d(S) functions cause larger bond shortening and energy drop than d functions centered on first-row atoms. This is further emphasized on comparing the separate effects of d(central atom) and d(O) functions for SO2 and NO2-, which are similar only for the first-row molecule. The d(S) functions are also essential for proper prediction of the OSO angles. The deformation densities calculated for each series and the corresponding X-O shared populations, change as expected on adding electrons first into σ* then into π* molecular orbitals. In the regions around nuclei the deformation densities express the behavior of the atomic s and p valence orbitals or of their product inside their radial nodes. Introduction of d functions causes substantial polarization effects. For X = N these are mostly local except in the bonding regions where d(N) and d(O) functions are somewhat interchangeable. However, d(S) functions induce also unique changes in the deformation density near O. They cause π and π′ charge migration from O to S and a σ flow in the opposite direction. These effects are largest for the hypervalent species. The unique populations of the d(S) functions are much larger than those of d(N) and d(O) functions. The contribution of d(S) functions to bonding is related to the larger amplitude at small radii of the atomic 3d(S) orbital as compared with that of 3d(N). The difference in amplitudes is related to penetration effects. Diffuse p functions affect geometries and SCF energies of doubly, but not singly negative ions. However, they mostly describe the diffuse nonbonding clouds and do not affect bonding patterns.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080103
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    On the importance of size-consistency corrections in semiempirical MNDOC calculations (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 48-50 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Energies obtained by configuration interaction calculations including all double excitations with regard to the Hartree-Fock reference determinant can empirically be corrected to size consistency using either the Langhoff-Davidson (LD) formula or a formula suggested by Pople, Seeger, and Krishnan (PSK). Semiempirical MNDOC calculations suggest that for molecular systems with a large number of electrons and important correlation effects the PSK correction is superior to the LD correction.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080106
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    Ab initio studies on van der Waals molecules. A comparative study with several basis sets of the C2v HeLi2 systemThis work was financially supported by the CAICYT No. 0637/81. (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 51-56 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The potential energy surface of the van der Waals system HeLi2 is computed for the case in which the system has C2v symmetry and at the Li-Li distance (5.005 bohrs). A comparative study of the results for the two methods used, ab initio Hartree-Fock and second-order Møller-Plesset, and several basis sets, ranging from minimal to near Hartree-Fock quality, is also done. The results show the importance of correcting the basis set superposition error, and the need, in order to obtain a good description of the potential, of basis sets with polarization functions on all the atoms, when the Møller-Plesset method is used. At the Hartree-Fock level, the MINI-1 basis gives results almost of the same quality as the near Hartree-Fock basis.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080107
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    Theoretical study of water-pyridine complexes using intermolecular potentials (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 67-80 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Intermolecular potential functions have been used to determine the equilibrium structures of the water-pyridine complexes. The dimer and symmetrical 2:1 water pyridine systems have been studied. Three water models, ST2, TIPS2, and EMPWI have been combined with two different Lennard Jones nonbonded parameters and various charge distributions for the pyridine molecule to describe the systems. For the dimer, results show two distinguishable classes of preferential hydration sites, which are specific sites corresponding to hydrogen-bonded dimer and nonspecific sites located near the hydrophobic regions. Calculations performed on hydrogen-bonded symmetrical complexes show that the planar complex is generally less stable than the complex with water molecules perpendicular to the pyridine plane. For these complexes, the major factor that influences the hydrogen-bonded configurations is the choice of the water model. The importance of atomic charge distributions for the solute over the choice of potential parameters is pointed out. Finally, the effective lone pair representation on the aromatic nitrogen atom is shown to improve the hydrogen bond geometry and the stability of the complexes.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080109
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  • 96
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    Polarization counterpoise corrections to correlated hydrogen bond interaction energies (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 81-83 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Basis set superposition error in hydrogen-bonded systems can exaggerate attraction calculated from self-consistent field energies as well as from electron correlation energies. One cause of this error is the basis set deficiency in describing the charge polarization of one constituent molecule when its bonding partner approaches. That constituent molecule's description is improved partly because of the proximity of the partner's basis functions, independent of real attraction. That polarization-related error is shown to occur primarily at the SCF level and not at correlated levels.
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/jcc.540080110
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    Masthead (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987) 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540080201
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  • 98
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    Ab initio calculations on the effect of polarization functions on disiloxane (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 84-93 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The effect of polarization functions for ab initio molecular orbital calculations at the 3-21G* level has been studied for disiloxane. Calculated molecular geometry, dipole moment, and the linearization barrier variation were analyzed for different uncontracted polarization functions. It was concluded that variation of the polarization function on oxygen has only a minor influence on the molecular properties of disiloxane, but its presence is required to obtain a bent geometry for the disiloxane bond. The calculated molecular properties of disiloxane are greatly influenced when the polarization function on silicon is varied. Two different values (0.3 and 0.9) for the exponent of the silicon polarization function provide results comparable to the experimental values for disiloxane. The only significant differences between the results obtained from ab initio calculations using the two polarization functions are in net atomic charges. The uncontracted polarization function of silicon with a value of 0.3 for its exponent is transferable to other organosilicon compounds. Calculated molecular geometries of flexible or rigid structures are in very good agreement with the experimental values.
    Additional Material: 10 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080111
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  • 99
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    Optimized method for the evaluation of the convolutionally distorted decay curves (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 95-106 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: A nonlinear least squares procedure based on the Meiron method is described for the evaluation of the convolutionally distorted decay curves consisting of exponentials. Most of the special procedures are well known and the selected ones proved to be the most effective. Some new procedures are introduced to facilitate the evaluation work and literature data are analyzed as an example.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080202
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    Combination of MOMM and VEH methods to calculate electronic properties of polymers (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 8 (1987), S. 107-116 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: A Molecular-Orbital-Based Molecular Mechanics method (MOMM) has been employed to calculate the structures of cyclopentadiene, pyrrole, furan, thiophene, dibenzocyclopentadiene (fluorene), dibenzopyrrole, dibenzofuran, and dibenzothiophene. The dimer structures of the above compounds have also been calculated using the same method to derive the unit cells of polycyclopentadiene, polypyrrole, polyfuran, polythiophene, polydibenzocyclopentadiene, polydibenzopyrrole, polydibenzofuran, and polydibenzothiophene. The band structures, densities of states, ionization potentials, band gaps, reduction potentials, and oxidation potentials of these polymers then have been calculated by using the Valence Effective Hamiltonian method (VEH). The structural effects on electronic properties are discussed.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jcc.540080203
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