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  • 1985-1989
  • 1975-1979  (420)
  • 1920-1924
  • 1977  (420)
  • Computational Chemistry and Molecular Modeling  (192)
  • Biochemistry and Biotechnology  (167)
  • Rat
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Years
  • 1985-1989
  • 1975-1979  (420)
  • 1920-1924
Year
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Langenbeck's archives of surgery 343 (1977), S. 133-151 
    ISSN: 1435-2451
    Keywords: Peptic ulcer ; Anastomosis ; Duodenogastric reflux ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Die vorliegende Studie gilt dem Anastomosengeschwür am operierten Magen. Diese schwerwiegende Komplikation entsteht nahezu ausschließlich nach Resektionsverfahren mit duodenaler Exklusion (Billroth II; Verlegung des Duodenum in den Nebenschluß). - An 54 männlichen Wistarratten wurden verschiedene Formen der duodenalen Exklusion mit und ohne duodenogastrischen Reflux durchgeführt. Die Ergebnisse unserer Untersuchungen zeigen, daß nach duodenaler Exklusionmit Reflux gesetzmäßig peptische Anastomosengeschwüre entstehen. Der kontinuierliche Reflux von Galle und Pankreassekret ist der ausschlaggebende ätiologische Faktor für die Ulcusentstehung im Grenzgebiet der Anastomose von Magen und Dünndarm. Stase im ausgeschalteten Zwölffingerdarm (Syndrom der zuführenden Schlinge) fördert die lcerogene Refluxwirkung. Fehlt der Pylorus, so potenzieren sich Reflux und Stase zur größten Ulcusfrequenz (〉 90%). Bei erhaltenem Pylorus ist die Geschwürsincidenz wesentlich geringer. Der duodenogastrische Reflux hemmt die meßbare Salzsäuresekretion signifikant (P 〈 0,01); Salzsäure spielt demnach für die Entstehung des experimentellen Anastomosengeschwürs der Ratte keine wesentliche Rolle. - Im Hinblick auf die Prophylaxe des Anastomosengeschwürs führen diese Erkenntnisse zu der Forderung, auf Operationsverfahren mit duodenaler Exklusion und Reflux (Billroth II) zu verzichten und das Operationsziel bei der Magenresektion auf die Wiederherstellung der orthograden MagenDarm-Passage zu richten.
    Notes: Summary Different types of duodenal by-pass operations with and without duodenogastric reflux were performed on 54 male Wistar rats. The results of our investigation show that following duodenal by-pass with reflux peptic anastomotic ulcer regularly occurs. The constant reflux of bile and pancreas juice is the most important aetiologic factor in the development of ulcer in the vicinity of the anastomosis between the stomach and small intestine. Stasis in the by-passed duodenum (afferent loop syndrome) promotes ulcerogenic action of reflux. In the absence of the pylorus the effects of ref lux and stasis potentiate, resulting in a high frequency of ulcer (〉 90 %). With intact pylorus the incidence is low. Duodenogastric reflux prevents hydrochloric acid secretion significantly (P 〈 0.01); hydrochloric acid thus plays a minor role in the development of experimental anastomotic ulcer of the rat. - In considering the prophylaxis against anastomotic ulcer, these findings support the claim of avoiding surgical techniques involving duodenal by-pass and reflux (Billroth II with short loop GE). Gastric resection should, therefore, aim at the reconstruction of the orthograde peristalsis.
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    European archives of oto-rhino-laryngology and head & neck 215 (1977), S. 1-9 
    ISSN: 1434-4726
    Keywords: Respiratory epithelium ; Larynx ; Microridge cells ; Rat ; Scanning electron microscopy ; Respiratorisches Epithel ; Kehlkopf ; Mikroleistenzelle ; Ratte ; Rasterelektronenmikroskopie
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Das Kehlkopfepithel ausgewachsener männlicher Albinoratten wird rasterelektronenmikroskopisch untersucht. Zusätzlich zu den zilientragenden und zu den Mikrovillizellen, zu den Bürsten- und Becherzellen, welche insgesamt für das respiratorische Epithel charakteristisch sind, werden in bestimmten Abschnitten des Larynx die Mikroleisten- oder Labyrinthzellen beschrieben. Die freie Oberfläche typischer Labyrinthzellen ist durch ein System von sich verzweigenden Mikroleisten gekennzeichnet, die miteinander durch Querbrücken verbunden sind und in der Zellperipherie eine bevorzugte Parallelausrichtung zur Zellgrenze zeigen können. Der Durchmesser der Mikroleisten beträgt ca. 0,05–0,15 μm. Die Querverbindungen zwischen den Mikroleisten haben einen Durchmesser von ca. 0,01 μm. Der Raum zwischen zwei benachbarten Querbrücken variiert. Labyrinthzellen können außer Mikroleisten auch Mikrovilli zeigen und es gibt Übergänge zwischen den Mikroridge- und den Mikrovillizellen. Die bevorzugte Lokalisation der Mikroleistenzellen im Bereich der Glottis und des Aditus laryngis wird belegt. Die mögliche Funktion dieser Zellen und ihre Bedeutung für die Diagnostik pathologischer Schleimhautveränderungen wird diskutiert.
    Notes: Summary The laryngeal epithelium of male white rats is studied by reflection scanning electron microscopy (SEM). In addition to ciliated cells, microvilli cells, brush cells and goblet cells that are characteristic for normal respiratory epithelium the microridge or labyrinth cell can be seen in particular regions of the larynx. The apical surface of a typical labyrinth cell is characterized by a system of narrow standing microridges of about 0.05–0.15 μm in diameter and interconnecting microridges with a diameter of about 0.01 μm. The microridge system of a labyrinth cell originates from the fusion of densely standing microvilli. Between microridge cells and microvilli cells all transition forms can be observed. The preferable localiziation of the microridge cell in the larynx and its possible function is discussed.
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    European archives of oto-rhino-laryngology and head & neck 217 (1977), S. 41-51 
    ISSN: 1434-4726
    Keywords: Respiratory epithelium ; Epiglottis ; Rat ; Scanning electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The epithelial surface of the epiglottis in adult male and female albino rats is studied by scanning electron microscopy. Prominent differences exist between the surface morphology as observed in the males and that observed in the females sacrificed in the estrus phase of the ovarial cycle. The differences are most pronounced in respect to the amount of secretory vesicles, microvilli- and microridge-cells and in respect to the observable number of desquamating cells. The existence and the importance of the microridge-cells are discussed. Special attention is also paid to the results indicating that at least some parts of the extrapulmonary airway epithelia act as possible target organs for sex hormones. Finally the importance of the observed differences is discussed for the correct interpretation of pathomorphological alterations in the extrapulmonary airway epithelia that have been observed under experimental conditions and during infections.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Naunyn-Schmiedeberg's archives of pharmacology 296 (1977), S. 187-190 
    ISSN: 1432-1912
    Keywords: Cyclic nucleotide phosphodiesterase ; Gastric mucosa ; Human ; Rat ; Inhibitors
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Cyclic adenosine-3′,5′-monophosphate (cAMP) phosphodiesterases (PDE) were partially purified from human and rat gastric mucosa. Drugs known to affect the cyclic nucleotide system and/or gastric secretion were tested for effects on the PDE-activities from both species. In rat gastric mucosa PDE-activity can be detected in the 100 000×g sediment (K m =8.3 μM; V max=3.2 nmoles cAMP hydrolyzed/mg protein x min) and the cytoplasma (K m =5.6 μM; V max=2.6 nmoles cAMP hydrolyzed/mg protein x min). The most effective inhibitors of the particle-bound activity are papaverine (K i =4 μM, non-competitive) and 3-isobutyl-1-methylxanthine (K i=14 μM, competitive). There was only a modest competitive inhibition by theophylline (K i =495 μM). PDE-activity in the cytoplasma was inhibited competitively by these three drugs (papaverine: K i =6.5 μM; 3-isobutyl-1-methylxanthine: K i =37 μM; theophylline: K i =152 μM. In human gastric mucosa PDE-activity can be detected in the particular fraction (K m =23.9 μM; V max=1.2 nmoles cAMP hydrolyzed/mg protein x min), and the soluble fraction (K m =12.1 μM; V max=2.4 nmoles cAMP hydrolyzed/mg protein x min). PDE-activity in the 100 000×g sediment was inhibited by papaverine (K i =5.6 μM, non-competitive), 3-isobutyl-1-methylxanthine (K i =16 μM, non-competitive), theophylline (K i =165 μM, non-competitive), and N6-2′-O-dibutyryl-cAMP (K i =746 μM, competitive). Inhibition in the 100 000×g supernatant was noncompetitive with 3-isobutyl-1-methylxanthine (K i =7.1 μM and papaverine (K i =8.5 μM), but competitive with N6-2′-O-dibutyryl-cAMP (K i =170 μM), and theophylline (K i =225 μM). This study indicates that PDE-activities of the two species are qualitatively similar, but quantitative differences exist.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Calcified tissue international 23 (1977), S. 161-170 
    ISSN: 1432-0827
    Keywords: Bone ; Growth ; Rat ; Remodeling ; Tetracyclines
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine , Physics
    Notes: Summary Cortical bone remodeling along the femur diaphysis was determined in normal female rats (Sprague-Dawley) with the tetracycline technique. Three segments on the cortical bone circumference (the anterolateral, the medial, and the posterior) were found to be most suitable for the study of the remodeling process. Oxytetracycline was administered at age 60 and 75 days, and groups of animals were killed at age 75, 85, 95, and 105 days. The accumulated endosteal growth during age 60 to 75 days in the anterolateral segment was found to increase uniformly in the distal direction along the femur diaphysis. A method is described where this accumulated endosteal growth is used. This method eliminates the use of calipers to determine the section level and makes it possible to study comparable sections even after varying periods of time. The proximal part of the diaphysis showed periosteal apposition in all three segments. The periosteal apposition turned into resorption in the distal part of the diaphysis in the anterolateral and medial segments, whereas the periosteal appsition increased in the posterior segment. The endosteal growth increased in the distal direction in the anterolateral and medial segments. Irregular OTC bands made measurements of endosteal remodeling in the posterior segment impossible. The cortical width decreased in the distal direction along the femoral shaft. Comparison between the different age groups is described and also the relation between the accumulated endosteal growth and the diameter of the medullary cavity.
    Type of Medium: Electronic Resource
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  • 6
    ISSN: 1432-1106
    Keywords: Spinal cord ; Dorsal horn interneurones ; Pain mechanisms ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Electrophysiological properties of neurones in the spinal cord dorsal horn were studied in decerebrated, immobilized spinal rats. Extracellular recordings were performed at the thoraco-lumbar junction level. Each track was systematically located by extracellular injection of pontamine sky blue. According to their responses to mechanical peripheral stimuli, cells were classified in four classes: Class 1 cells: Cells activated only by nonnoxious stimuli. They were divided into — 1A: hair movement and/or touch and 1B: hair movement and/or touch and pressure or pressure only. Class 2 cells: Cells driven by both nonnoxious and noxious stimuli, divided into — 2A: hair movement and/or touch, pressure, pinch and/or pin-prick, and 2B: pressure, pinch and/or pin-prick. Class 3 cells: Cells only activated by noxious stimuli (pinch and/or pin-prick). Class 4 cells: Cells responding to joint movement or pressure on deep tissues. Peripheral transcutaneous or sural nerve stimulation clearly showed that class 1 cells were activated only by A fiber input while 68% of classes 2 and 3 cells received A and C input. Histological examination indicated that cells driven only by noxious input were located either in the deepest part or in the marginal zone (lamina I) of the dorsal horn. Nevertheless, some lamina I cells were also driven by both nonnoxious and noxious stimuli. In addition, there is a great deal of overlap between class 1 and class 2 cells. This fact was confirmed by considering the wide distribution in the dorsal horn of cells receiving A and C input. However, spinal organization of the different classes of cells consists of a preferential distribution rather than a strict lamination. This study indicates that properties of dorsal horn interneurones in the rat have a high degree of similarity with those previously described in other species (cat and monkey).
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Experimental brain research 29 (1977), S. 249-263 
    ISSN: 1432-1106
    Keywords: Preoptic area ; Basal septum ; Amygdala ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Extracellular microelectrode recordings were made from single neurones in the medial preoptic area and basal septum of normal female rats anaesthetised with urethane and the effects of stimulation of the ipsilateral amygdala (AMY) was tested. 1. Quiescent cells were excited with latencies between 4 and 〉 40 msec with the majority being between 10 and 27 msec. Variable latency, changing latency and recruitment were observed and suggest that many pathways are oligo- or polysynaptic. 2. A minority of spontaneously active units (20.6%) were excited with latencies between 5 and 36 msec. The predominant initial response was inhibition (67.1%). The remaining 12.3% of neurones did not respond. 3. A predominantly positive complex field potential was associated with excitation, particularly of quiescent neurones. 4. Inhibitory responses were classified according to duration (short: 20–60 msec; long: 100–400 msec). All responses contained an inhibitory component. Responses were further described on the basis of presence and rhythmicity of post-inhibitory excitation. 5. The majority of action potentials evoked from quiescent neurones were of small amplitude (80–150 μV) and occurred in small groups. These characteristics and their occurrence at the onset of inhibition are consistent with the view that all or a proportion of them may be generated by inhibitory interneurones. 6. Only minor differences were observed between response characteristics evoked by stimulation of the corticomedial or basolateral AMY indicating that differential effects of these regions on adenohypophysial hormone secretion are determined at the septopreoptic level.
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Experimental brain research 30 (1977), S. 149-154 
    ISSN: 1432-1106
    Keywords: Dentate and interpositus nuclei ; Pontine gray ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Following removal of a significant part of the dentate nucleus and most of the interpositus nucleus in the rat cerebellum degenerated cerebellopontine fibres are shown to end in three fairly restricted regions in the contralateral pontine gray: in the paramedian position, in the middle and in the lateral third. The three regions are arranged in rostro-caudal longitudinal columns in the caudal three-quarters of the pons and these columns are continuous with one another by regions of scattered degeneration. The fibres appear to end in relation to distal dendrites of the pontine cells.
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Experimental brain research 30 (1977), S. 313-321 
    ISSN: 1432-1106
    Keywords: Rat ; Hypoglossal nucleus ; Botulinum toxin ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The ultrastructural effects of local injection of botulinum toxin into the left half of the tongue of the rat, were studied quantitatively 35 days postoperatively in the left hypoglossal nucleus. The results showed (1) a decrease in somatic and neuropil bouton numbers because of loss of boutons with symmetrical synapses and clear spherical synaptic vesicles, (2) a decrease in the numbers of dendrite profiles in the neuropil, (3) an increase in the proportion of dendrites and boutons with unusual inclusions, suggestive of profile retraction, (4) an increase in the proportion of profiles which were unusually electron-dense, (5) an increase in the amount of astrocyte, and a growth of astrocyte sheaths around bouton-free neurone surfaces, (6) the presence of occasional microglia, and (7) subastrocytic subsurface cisterns. Control rats injected with boiled toxin had no responses except (3) and (4) above, and then only to a modest extent, possibly due to mechanical damage of a few axons or terminals at the time of injection, or to insufficient inactivation of the toxin by boiling. The results were compared with those at 35 days after axotomy, and it was concluded that botulinum toxin, which interrupts neuromuscular transmission, elicits the same responses in the hypoglossal neurones, as does transection of the hypoglossal nerve, even though earlier studies had discovered no glial replication after botulinum toxin, in contrast to axotomy.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Experimental brain research 27 (1977), S. 211-219 
    ISSN: 1432-1106
    Keywords: Visual system ; Degeneration ; AChE ; Choline acetyltransferase ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The effect of unilateral enucleation, ablation of the visual cortex or coagulation of the lateral geniculate nucleus (LGN) upon the activity of choline acetyltransferase (ChAc) and acetylcholinesterase (AChE) in different structures of the visual system of albino rats was studied. The localization and extent of the degeneration pattern were followed up by histological silver degeneration methods. Afferents from the retina project mainly contralaterally to the dorsal and ventral LGN, the pretectal region and the superior colliculus. Afferent fibres from the dorsal LGN enter the visual cortex in area 17 only. Neurons of this area project back ipsilaterally to the LGN and the superior colliculus (SC). No significant decrease in the activity of the cholinergic marker enzyme choline acetyltransferase could be observed under any of the experimental conditions; there was rather a tendency to increased activity in the subcortical centres. AChE as a less specific marker also exhibited no gross changes in activity in the lesioned animals. The results add more direct proof to pharmacological and physiological evidence that ACh is not involved in the synaptic transmission of the direct optic projections in rats, either at the subcortical or at the cortical level.
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  • 11
    Electronic Resource
    Electronic Resource
    Springer
    Experimental brain research 29 (1977), S. 219-231 
    ISSN: 1432-1106
    Keywords: Rat ; Hypoglossal nucleus ; Delayed regeneration ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Electron micrographs of the left hypoglossal nucleus of adult male albino rats were quantitatively analyzed from 9–70 days after allowing the transected left hypoglossal nerve to regenerate after an 84 day delay. Delay was achieved by implanting the proximal stump into already innervated sternomastoid muscle, where no regeneration occurred. Regeneration was then allowed by denervating the sternomastoid. During the regenerative period the initially high number of abnormally electron dense perikarya and dendrites decreased to almost normal values, but no cell removal was seen. This suggested that the degenerate appearance of many profiles after prolonged prevention of regeneration, was reversible. The neuropil bouton and dendrite counts, and the numbers of synapsing boutons per dendrite, increased steadily to normal values from the low values of suppressed regeneration. Somatic bouton frequencies, even though already low, decreased further at 32 days, and later increased but not to normal values. The decrease at 32 days coincided with the loss of many subsurface cisterns, and dispersion of Nissl substance, all suggestive of chromatolysis. Later the subsurface cisterns and Nissl substance returned. It was suggested that the delay of complete recovery of somatic bouton frequencies might be because of lack of sensory information from the denervated muscle into which the hypoglossal nerve was regenerating, or because of abnormally low starting values for the recovery phase. Astrocyte (or, occasionally microglial) sheaths persisted along boutonfree perikaryal surfaces.
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  • 12
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 151 (1977), S. 29-34 
    ISSN: 1432-0568
    Keywords: Optic tectum ; Rat ; Cell death
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The death of cells was studied by light microscopy in the optic tectum of normal, developing rats. Normal cell death in the tectum during development has previously been described in chickens but not in a mammal. The total period of cell death was from the 20th embryonic day through the 11th postnatal day. During this period the number of dying cells was comparatively small for the first 2 days, reached a peak at birth and then decreased over the next 11 days. In comparison to the number of surviving cells the number of dead cells in each section was small. The dead cells appeared to be randomly distributed in all layers of the optic tectum.
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  • 13
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 151 (1977), S. 335-339 
    ISSN: 1432-0568
    Keywords: Autoradiography ; Hippocampus ; Neurogenesis ; Rat ; Thyroid hormone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The postnatal development of the dentate gyrus and the effect of 5 μg/day triiodothyronine treatment was examined by means of tritiated thymidine autoradiography. The polymorph layer of the dentate gyrus is a secondary germinal layer and forms cells for the granular layer. The cell formation in the dentate gyrus was found to be nearly completed on the 21st day, but development ended only in adulthood. Thyroid-hormone treatment did not affect significantly the postnatal cell formation of the dentate gyrus, but resulted in the appearance of a great number of pycnotic cells in the granular layer.
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  • 14
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 152 (1977), S. 43-64 
    ISSN: 1432-0568
    Keywords: Habenula ; Ependyma ; Supraependymal cells ; Supraependymal axons ; Electron microscopy ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The surface features of the ependymal lining of the habenular complex in rats, aged between three weeks and nine months, were studied by means of scanning and transmission electron microscopy. The ependyma of the medial habenular nucleus is heavily ciliated, the cilia obscuring underlying substructure in SEM — preparations. On the habenular commissure most cilia are arranged in tufts. Cilia are provided with segmental indentations and occasional apical thickenings. Vesicular protrusions of the ependymal cytoplasm into the ventricular lumen and the frequent occurrence of homogeneous supraependymal globules were interpreted as signs of ependymosecretory activity of nucl. hab. med. Supraependymal cells are most numerous on the anterior and superior surface of the habenular commissure. Cells presenting features identical to Kolmer (epiplexus) cells were identified on the ventricular surface of nucl. hab. med. in one specimen showing degenerative changes of undetermined aetiology in the habenular nuclei. It is therefore suggested that such cells need not necessarily be restricted to the choroid plexus. Supraependymal unmyelinated axons are particularly numerous on both nucl. hab. med. and commiss. hab. They make desmosome contacts (maculae adherentes) with the ependymal plasmalemma. Contacts presenting all features of typical synapses were not encountered. The vesicle population of the axonal profiles mainly comprises 35–50 nm translucent round vesicles besides small numbers of 60–100 nm dense-cored vesicles and large pleiomorphic vesicles. Most probably the axons belong to the well-established dense population of serotonergic axons in the dorsal part of the third ventricle.
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  • 15
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 151 (1977), S. 53-62 
    ISSN: 1432-0568
    Keywords: Large intestine ; Intestinal absorption ; Postnatal development ; Rat ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The absorption of horseradish peroxidase in the rat large intestine during the postnatal developing period was investigated by cytochemical and ultrastructural methods. In the ceca and ascending colons from 4-, and 5-day-old rats, intraluminaly injected peroxidase became localised on microvilli, in the intracytoplasmic network of the apical tubules and small vacuoles (tubulo-vacuolar system), in the large supranuclear vacuole, in the Golgi apparatus, on the lateral and basal cell membranes of the surface principal cells, and also in the lumen of blood capillaries in the subjacent propria. On the other hand, the protein tracer was not seen in the large intestinal epithelial cells that lack tubulo-vacuolar systems and large supranuclear vacuoles within their cytoplasm. In the descending colons of rats of any postnatal age, the epithelial principal cells are devoid of these membrane systems, and exogenous peroxidase was not detected in the cytoplasm of the principal cells. It is assumed that at least the proximal portion of the large intestine in neonatal animals has the capacity to absorb macromolecular protein through those surface principal cells that have specialized intracellular membrane systems.
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  • 16
    ISSN: 1432-0568
    Keywords: Neurosecretion ; Adrenalectomy ; Diabetes insipidus ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The influence of adrenalectomy on the amount of “Gomori-positive” neurosecretory material in the outer layer of the median eminence and in the supraoptico-hypophysial system was studied in normal Long-Evans rats and in Long-Evans rats heterozygous and homozygous for hypothalamic diabetes insipidus. In all non-adrenalectomized rats very few “Gomori-positive” granules were found in the outer median eminence layer. After adrenalectomy the amount of the granules increased markedly in normal Long-Evans rats and only slightly in Long-Evans rats heterozygous for diabetes insipidus. However, no augmentation of the granules occurred in homozygous diabetes insipidus rats. The amount of “Gomori-positive” substances demonstrable in the supraoptic and paraventricular nuclei, in the inner layer of the median eminence, and in the neural lobe of the hypophysis was less in rats heterozygous for diabetes insipidus than in normal Long-Evans rats and the smallest in homozygous diabetes insipidus rats. No differences in the amounts of the substances were observed between adrenalectomized and non-adrenalectomized animals. The findings suggest that the “Gomori-positive” granules occurring in the outer layer of the median eminence of adrenalectomized rats are of similar origin as those of the supraoptico-hypophysial system and represent a vasopressin-neurophysin-complex. The results support the concept that vasopressin is involved in the regulation of ACTH release.
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  • 17
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 151 (1977), S. 241-265 
    ISSN: 1432-0568
    Keywords: Scanning E.M. ; Third ventricle ; Neurohypophysis ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The surface of the recessus infundibularis of the third ventricle has been studied with the scanning and transmission technique in normal and experimental material. Surface specializations such as microvilli, craters and areas of discontinuous lining are described. Supraependymal cells and fibres have been found; some of these cells form wide-meshed networks. The supraependymal fibres may be regular or varicose; the former seem to perforate the ependyma. With the transmission electron microscope the supraependymal cells are divided into three categories: nerve cells, lymphocytes and “dense cells”. Two fibre populations are distinguished: thin profiles (nerve fibres) and thick profiles (nerve terminals). Axosomatic and axoaxonic synapses are described. Synapses between supraependymal fibres and ependyma cells have also been found.
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  • 18
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 151 (1977), S. 63-69 
    ISSN: 1432-0568
    Keywords: Rat ; Phrenic nerve ; Accessory phrenic nerve ; Diaphragmatic myotomes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Reinnervation studies of the diaphragm led us to reinvestigate the normal anatomy of the phrenic nerve of the rat. The phrenic nerve originates from the cervical nerve roots C4 and C5. In 16 out of 19 normal rats an accessory phrenic nerve was observed receiving its segmental fibres from C6. The number of myelinated axons of the accessory phrenic nerve varied from 41 to 101 (mean: 64.3, i.e. about 15% of the average number of axons in the common phrenic nerve). The accessory phrenic nerve innervates the dorsal part of the costal and the lateral part of the crural region, whereas the remaining parts of the hemidiaphragm are supplied by the segments C4 and C5. There is no evidence for any additional contribution to the motor innervation of the diaphragm from intercostal nerves.
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  • 19
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    Springer
    Acta neuropathologica 40 (1977), S. 253-257 
    ISSN: 1432-0533
    Keywords: Protein-calorie malnutrition ; Rat ; Spinal root ; Paranodal region ; OTAN method
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary During the early postnatal development of spinal roots in rats paranodal regions were often found, containing OTAN-positive inclusions in the Schwann cell cytoplasm. The presence of OTAN-positive paranodal regions showed variations in time, which were synchronous for ventral and dorsal roots. Dorsal roots, however, showed a more marked presence during development than ventral roots. Spinal roots of animals submitted to a 50% food restriction, were shown to contain more OTAN-positive paranodal regions than controls. This was true for ventral as well as dorsal roots. It is suggested that crowding of internodal segments could be one factor, determining the presence of paranodal, OTAN-positive material.
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  • 20
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    Acta neuropathologica 40 (1977), S. 249-252 
    ISSN: 1432-0533
    Keywords: Low-protein diet ; Rat ; Peripheral nerve ; Paranodal area ; Morphometry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Young rats, submitted to severe protein restriction were studied concerning the width of intermyelin gaps at the nodes of Ranvier in peripheral nerve fibres. The results gave no proof of increased paranodal myelin retraction in lumbar spinal roots or the sciatic nerves of low-protein rats. Malnourished rats as well as controls showed great interindividual differences as to the presence of nodes with wide inter-myelin gaps.
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  • 21
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    Calcified tissue international 22 (1977), S. 77-84 
    ISSN: 1432-0827
    Keywords: Fluoride ; Blood plasma ; Enamel mineralization ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine , Physics
    Notes: Abstract It is postulated that tissue fluid F concentrations are the primary determinants of fluoride effects on bones and developing teeth and that these concentrations are dependent on, or mirrored by, blood plasma F. It has earlier been shown that the plasma F levels are dependent on the dietary F supply as well as on skeletal F concentration. Fasting and post-ingestion or postinjection plasma F levels have been determined in rats on F doses that cause different degrees of enamel fluorosis. The results indicate that temporary peak values rather than elevated fasting values are responsible for the occurrence of enamel fluorosis and that the peak values must approach about 10 μM in order to block enamel formation by the ameloblasts. The diagnostic and prognostic importance of plasma F determinations is discussed.
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  • 22
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    Experimental brain research 28 (1977), S. 335-344 
    ISSN: 1432-1106
    Keywords: Hippocampus ; Rat ; Lamellae
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A series of experiments was conducted in the urethane anaesthetised rat to determine the organisation of some hippocampal pathways in this species, using stimulating and recording microelectrodes to elicit and record population spikes. It was found that the mossy fibres, alvear fibres and perforant path were clearly arranged in a lamellar fashion. Lamellar organisation could not be demonstrated for the afferents in the stratum radiatum which include the Schaffer collaterals. It was concluded that hippocampal organisation in this species essentially resembles that in the rabbit and cat.
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  • 23
    ISSN: 1432-2072
    Keywords: Rat ; Exploratory behaviour ; Stereotyped behaviour ; Hole-board ; dl-Amphetamine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract A technique is described for studying exploratory as well as stereotyped behaviour in rats using an automated hole-board. Both visual and automated recordings can be employed using the technique. Hole dipping is monitored automatically using an infra-red detector system. Repetitive patterns of hole-dipping are used as parameters of stereotyped behaviour while the more random patterns of hole-dipping are used as parameters of exploration. There was a high significant correlation between the records of hole-dipping behaviour as recorded visually and automatically. There was also a high significant correlation between the measures of repetitiveness/randomness of hole-dipping behaviour from automatic and visual recordings. The pattern and levels of hole-dipping conformed with expectations both as regards changes with time and with increasing doses of dl-amphetamine.
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  • 24
    ISSN: 1432-2072
    Keywords: Abstinence syndrome ; Tolerance ; Physical dependence ; Rat ; THC ; Morphine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Ten rats were injected s.c. with THC twice daily for 5 weeks in increasing doses. In the last 3 weeks they received 40 mg/kg THC in each administration. Ten control rats received the same amount of vehicle by the same route for the same period. The comparison of rectal temperatures of the first and fifteenth days showed that a very pronounced tolerance developed to the hypothermic effect of THC. The administration of naloxone on the 22nd and 31st days precipitated an opiatelike abstinence syndrome. The termination of the drug administration on the 35th day also produced a similar withdrawal syndrome. The most common signs of abstinence syndrome in THC-treated animals were teeth chattering, defecation, urination, dyspnea, and complete palpebral closure. Although the frequency of the incidence of the following signs were not high, they have been observed only in THC-treated animals: chewing, tremors on the face, escape behavior, jumping, eating of objects, biting of fingers, and sniffing. During abstinence, an increased locomotor activity was recorded by an activity-meter. Similarly, the total amount of excreted feces and urine was higher in the THC group than in the controls. Both abstinence scores and increased motility exhibited the peak in the 48th h of withdrawal. Some similarities between the effects of THC and morphine have been reviewed.
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  • 25
    ISSN: 1432-2013
    Keywords: Dibutyryl cyclic AMP ; Pancreas ; Rat ; Secretion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary DbcAMP≥0.1 mM induces the discharge of exportable enzymes from rat pancreas fragments incubated in vitro. This effect is qualitatively similar to the action of physiological secretagogues acting via hormone receptors: 1) it is accompanied by the appearance of exocytotic images at the acinar cell apex; 2) it is energy dependent but energy supply is low while that required for the carbamylcholine or caerulein response is high and can only be afforded by oxidative phosphorylation; 3) it is calcium dependent, but no alteration of inward or outward calcium movement can be observed; 4) it is altered by agents known to disrupt the microfilamentous microtubular system [41]. However, the secretory response to DbcAMP is quantitatively less than that obtained with hormonal stimuli. A damaging effect of DbcAMP on pancreatic acinar cells is ruled out on histological and biochemical grounds: there is no significant leakage of LDH; protein synthesis, 2-deoxy-d-glucose andl-leucine uptake are unaltered. The secretagogue effect of DbcAMP is reversible, dose-related and specific. It is not mediated by neuro-transmitter release or by interaction with their receptors. The evidence presented points to a direct interaction of DbcAMP on the pancreatic acinar cell and suggests the last step of the secretory cycle as the most probable site of action of the nucleotide derivative.
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  • 26
    ISSN: 1432-2013
    Keywords: Altitude ; Myocardium ; Regional blood flow ; Blood volume ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Circulating blood volume, cardiac output and relative organ perfusion changes were studied, using the Sapirstein method of86Rb tissue uptake, in male 75-day-old rats exposed to intermittent high altitude hypoxia (gradually up to 7000 m, 4 h daily, 5 days a week; the total number of exposures was 24). Intermittent hypobaric exposure caused a significant rise of the erythrocyte volume, whereas the plasma volume remained unchanged. The relative perfusion of the left and particularly of the right ventricular myocardium, as well as of the spleen, liver, lung, small intestine and skeletal muscle, was significantly higher. The cardiac output determined in other experimental animals similarly treated was significantly higher after 24 exposures to the intermittent high altitude hypoxia. We suggest that these changes are triggered by tissue hypoxia and a greater blood flow demand.
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  • 27
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    Pflügers Archiv 368 (1977), S. 125-128 
    ISSN: 1432-2013
    Keywords: Endotoxin ; Rat ; Fever ; Anti-endotoxin system
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In conscious unrestrained rats, at an ambient temperature of 22°C, oesophageal temperature was measured and temperature effect of single and repeated intravenous injection ofE. coli endotoxin was examined. The first injection of endotoxin in a dose of 10.0 μg/rat did not change the rat body temperature. The second injection of this dose in the same animals repeated after 48 h produced fever. With following injections the fevers observed were less pronounced. The absence of fever after a single injection of endotoxin was accompanied by the rapid loss of pyretic activity of the rat plasma samples (bioassayed in rabbits). When fever was observed (48 h interval between endotoxin injections) the pyretic activity of the rat plasma remained unchanged for 90 min following endotoxin injection. It was concluded that after a single injection endotoxin is rapidly detoxified in the rat circulation while this process does not take place after the second endotoxin injection (48 h interval). The process of endotoxin detoxification can be depressed by the pretreatment with nitrogen mustard. Analysis of changes of skin temperature following endotoxin injections and the influence of aspirin on endotoxin-induced fever suggest that the fever observed was of central origin.
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  • 28
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    Archives of toxicology 37 (1977), S. 159-164 
    ISSN: 1432-0738
    Keywords: Nickel ; Rat ; Toxicity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Zu verschiedenen Zeiten nach täglicher Zufuhr von Nickelsulfat an Ratten wurden Leber, Niere, Hoden und Herzmuskel auf biochemische und histologische Änderungen untersucht. Während sich in der Initialphase noch keine signifikanten Veränderungen nachweisen ließen, traten nach längerer Exposition deutliche enzymatische und histopathologische Veränderungen in allen vier untersuchten Organen auf. Das Ausmaß der Organläsionen zeigte einen direkten Zusammenhang mit der Behandlungsdauer.
    Notes: Abstract Biochemical and histological alterations in liver, kidney, testis and myocardium of albino rats were investigated at various intervals after daily administration of nickel sulphate. No significant changes were observed during the initial periods of the treatment, but longer exposures produced marked enzymatic and histopathological alterations in all the four organs examined. The severity of the histological lesions was found to be directly related to the duration of the treatment.
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  • 29
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    Archives of toxicology 37 (1977), S. 319-325 
    ISSN: 1432-0738
    Keywords: Sulfhydryls ; Enzymes ; Brain ; Liver ; Testis ; Manganese ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Die Wirkung von Mangan auf Sulfhydrylgruppen und SH-enthaltende Enzyme in Gehirn, Leber und Hoden von Ratten wurde untersucht. Mangan verminderte den Gehalt an Nicht-Eiweiß-SH und hemmte die Glucose-6-phosphatdehydrogenase sowie die Glutathionreduktase in diesen Geweben. In Gehirn, Leber und Hoden der Mn-behandelten Tiere war der Mn-Gehalt signifikant erhöht.
    Notes: Abstract The effect of manganese on sulfhydryls and sulfhydryl-containing enzymes in brain, liver and testis of rats was investigated. Manganese produced lowering in the contents of non-protein sulfhydryl groups and inhibited the activity of glucose-6-phosphate dehydrogenase and glutathione reductase in these tissues. The contents of the metal increased significantly in brain, liver and testis of manganese administered rats. The significance of these findings is discussed.
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  • 30
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    Archives of toxicology 37 (1977), S. 275-288 
    ISSN: 1432-0738
    Keywords: Carbromal ; Bromoethylbutyramide ; Ethylbutyrylurea ; Rat ; Pharmacokinetics ; Smooth muscle ; Carbromal ; Carbromid ; Äthylbutyrylharnstoff ; Ratte ; Pharmakokinetik ; glatter Muskel
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Oral verabreichtes Carbromal und Carbromid wurden bei Ratten in Dosen unter 20 mg/kg rasch aus dem Magen-Darmtrakt aufgenommen, aus dem Dünndarm 5–8mal rascher als aus dem Magen. Die enterale Resorption von Carbromaldosen größer als 20 mg/kg verlief wesentlich langsamer. Dies ist hauptsächlich auf eine verzögerte Magenentleerung zurückzuführen. Sowohl Carbromal als auch Carbromid hemmten in vitro den Tonus und die durch Acetylcholin induzierte Kontraktion glatter Muskeln des Magenfundus. Carbromal und Carbromid fanden sich im Organismus in gleicher Konzentration in Serum, Gehirn und Skelettmuskulatur. Im Fettgewebe wurden dreimal höhere Werte gemessen. Die Konzentrationen beider Stoffe fallen in den untersuchten vier Organen mit der gleichen Geschwindigkeit wieder ab. Es lassen sich daher mit Hilfe der leicht zu messenden Serumkonzentrationen rasch die im Organismus verteilten Mengen beider Substanzen ermitteln. Intraperitoneal injizieŕtes Carbromal und Carbromid verlassen Serum und Gehirn mit einer Halbwertzeit von 3–4 h, Äthylbutyrylharnstoff mit einer Halbwertzeit von 5–7 h. Carbromal, Carbromid und Äthylbutyrylharnstoff werden von der Ratte rasch und nahezu vollständig metabolisiert. In Urin und Kot erschienen nur Spuren dieser Substanzen. Für eine Sekretion von Carbromal und seinen beiden Metaboliten in den Magen ergab sich kein Anhalt. Die Ergebnisse werden im Hinblick auf die akute Carbromalvergiftung beim Menschen diskutiert.
    Notes: Abstract Oral doses up to 20 mg/kg of carbromal and of bromoethylbutyramide were rapidly absorbed in the rat. Absorption from the stomach ligated at the pyloric end was 5–8-fold less than absorption of carbromal injected directly into the small intestine. Oral doses greater than 20 mg/kg of carbromal disappeared more slowly from the gastro-intestinal tract because gastric emptying was delayed. Both carbromal and bromoethylbutyramide were able to reduce the basal tone and the acetylcholine-induced contraction of isolated rat fundus strips. Carbromal and bromoethylbutyramide distributed evenly between serum, brain and skeletal muscle. Concentrations in adipose tissue were three times those in the other three tissues. Concentrations of both carbromal and of bromoethylbutyramide in all four tissues declined at the same rate. Thus, serum concentration of either compound may be used to estimate the total body content. Intraperitoneally injected carbromal, bromoethylbutyramide and ethylbutyrylurea disappeared from the brain and from the serum with a half-life of 3–4 h and 5–7 h, respectively. Traces only of unchanged carbromal, bromoethylbutyramide, or ethylbutyrylurea were excreted with urine or feces indicating rapid and extensive biotransformation of the three compounds in this species. No evidence was obtained of secretion of either carbromal or its two metabolites into the lumen of the stomach. The findings are discussed as to their relevance for acute carbromal poisoning in humans.
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  • 31
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    Archives of toxicology 37 (1977), S. 219-225 
    ISSN: 1432-0738
    Keywords: Inorganic mercury ; Renal enzyme excretion ; Chelating agents ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Die Wirkung von intravenös verabreichtem HgCl2 auf die renale Ausscheidung von alkalischer Phosphatase (AP) und Leucinaminopeptidase (LAP) wurde an Ratten untersucht. Am ersten Tag nach Hg-Injektion erfolgte ein Anstieg der Enzymausscheidung, der von einem Schwellenwert von 0.44 mg Hg/kg ausgehend eine lineare Abhängigkeit von der Hg-Dosis aufwies. Am zweiten Tag wurde ein statistisch signifikanter Effekt bereits nach 0.25 mg Hg/kg beobachtet. Nach Dosen von 0.75 mg Hg/kg oder mehr fand ein Abfall der Enzymaktivität unter die Kontrollwerte statt, der mehr als 4 Tage anhielt. Behandlung mit 2,3-Dimercaptopropansulfonat (DMPS) bewirkte eine Normalisierung der AP-Ausscheidung. Eine Wirkung auf die LAP-Exkretion wurde nur bei baldiger Verabreichung von DMPS beobachtet. Das gleiche gilt für den Effekt von DMPS auf die Hg-induzierte Letalität. Die Nützlichkeit einer LAP-Bestimmung im Urin zur Abschätzung einer Hg-Inkorporation wird diskutiert.
    Notes: Abstract The effect of intravenous injections of HgCl2 on the renal excretion of alkaline phosphatase (AP) and leucine aminopeptidase (LAP) was investigated in rats. On the first day after Hg enzyme excretion showed a linear rise with the Hg dose from a threshold value of 0.44 mg Hg/kg. On the second day a statistically significant effect was seen already after 0.25 mg Hg/kg. After doses of 0.75 mg/kg or more a decrease of enzyme activity below control values occurred which persisted for more than 4 days. Treatment with 2,3-dimercaptopropansulfonate (DMPS) brought about a normalization of AP excretion. An effect on LAP excretion was observed only with early treatment. The same holds for the effect of DMPS on Hg-induced lethality. The usefulness of a measurement of LAP excretion for estimating the exposure to inorganic mercury is discussed.
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  • 32
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    Archives of toxicology 37 (1977), S. 247-263 
    ISSN: 1432-0738
    Keywords: Lead in blood ; Longterm exposure ; Learning deficit ; Overreaction ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Zur Erfassung neuropsychologischer Störungen nach ontogenetisch früher Bleiexposition wurde bei männlichen Wistar-Ratten pränatal über deren Mütter, neonatal über die Muttermilch und postnatal über Bleiazetathaltiges Futter (745 mg Pb/kg Futter) chronisch ein erhöhter Blutbleispiegel (PbB) eingestellt. In der Trächtigkeits-und Säugezeit stieg der PbB-Spiegel der Mütter von 24.2 auf 31.2 μg-% an, während derjenige der Nachkommen im Alter von ca. 16 Tagen 26.6 μg-% und im Alter von ca. 190 Tagen 28.5 μg-% betrug. PbB altersgleicher Kontrollen war stets 〈 6 μg-%. Im Alter zwischen 100 und 200 Tagen wurden 20 Bleitiere und 20 Kontrollen blind verschiedenen Verhaltensprüfungen unterzogen, und zwar einem Open Field-Test und einer visuellen Unterscheidungs-Lernaufgabe. Zwei Lernprobleme unterschiedlicher Schwierigkeit, Richtungs- und Größenunterscheidung, wurden benutzt. Im Open Field-Test waren die Bleitiere im Vergleich mit den Kontrollen signifikant unruhiger: Lokomotorische Aktivität, Aufrichten und Putzverhalten waren gesteigert. Die schwierige Größenunterscheidung erlernten nur die Kontrollen, während das leichte Problem, nämlich die Richtungsunterscheidung, von Kontroll- und Bleitieren gleich schnell erlernt wurde. Die beobachteten Bleiwirkungen, gesteigerte motorische Unruhe und Lernleistungshemmung, lassen sich als Indikatoren einer funktionellen Hirnschädigung deuten. Sie legen den Schluß nahe, daß die „Wirkschwelle” für neuropsychologische Störungen nach ontogenetisch frühzeitiger Bleieinwirkung bei der Ratte als unterhalb 35 μg/100 ml liegend angenommen werden muß.
    Notes: Abstract In order to assess neurobehavioral deficit subsequent to early low-level lead-exposure, Wistar-rats were prenatally Pb-exposed via their mothers, neonatally via their dams' milk, and later on via their diet containing lead acetate (745 mg Pb/kg diet). Blood-lead levels (PbB) of dams increased from 24.2–31.2 μg-% during pregnancy and suckling-periods, those of offsprings were 26.6 μg-% at about 16 days of age and 28.5 μg-% at about 190 days of age. Between 100 and 200 days of age 40 male offsprings were subjected to behavioral testing, namely an open field-test and a visual discrimination-learning task. Two learning-tasks of different complexity, i.e. orientation-and size-discrimination, were used. Data of 20 lead-treated animals were compared with those of 20 age-matched controls. In the open-field test lead-fed animals were significantly more restless than controls; an increase of ambulation, rearing and grooming was observed. In the difficult learning-task, i.e. size discrimination, only the controls did learn the problem, whereas only one of the lead-group did; there was, however, no difference between lead-and control-animals for the easy task, i.e. orientation-discrimination. The observed effects, namely overreaction in the open field and a deficit of visual discrimination learning, may be interpreted in terms of lead-induced CNS-dysfunction. They clearly suggest that the “no-response level” for neurobehavioral damage in the rat, subsequent to early lead-exposure, must be assumed to be lower than 35 μg/100ml.
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  • 33
    ISSN: 1432-1440
    Keywords: Histidin ; Gehirn ; Skelettmuskel ; Leber ; Urämie ; Ratte ; Histidine ; Brain ; Striated muscle ; Liver ; Uremia ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Summary Intracellular histidine levels were determined in brain, striated muscle and liver of rats with chronic renal insufficiency (5/6-nephrectomy) and compared both with normal rats and food-restricted (pair-fed) animals. There was no difference in plasma histidine concentration of the three groups whereas in the brain of the uremic rats histidine was significantly increased. Since there existed no alteration of the cerebral histidine in the corresponding pair-fed group, the finding of a raised histidine level in the renal insufficient rats seems to be due to a specific uremic disorder caused by a cerebral disturbance in histidine metabolism.
    Notes: Zusammenfassung Bei chronisch niereninsuffizienten Ratten (5/6-Nephrektomie) wurden die intrazellulären Histidin-Konzentrationen verschiedener Organe (Gehirn, Skelettmuskel und Leber) bestimmt. Als Vergleichsgruppen dienten gesunde Kontroll-Ratten sowie sog. „pair-fed“ Ratten, die entsprechend den niereninsuffizienten Tieren eine verminderte Nahrungsmenge zu sich nahmen. Während sich in den untersuchten Gruppen die Plasma-Histidin-Konzentration nicht unterschied, war Histidin im Gehirn der chronisch niereninsuffizienten Tiere signifikant erhöht. Dieser Konzentrations-Anstieg dürfte als urämie-spezifisch anzusehen sein, da die entsprechend minderernährten Kontrolltiere keine Alteration zeigten. Als Ursache ist in erster Linie eine cerebrale Störung des Histidin-Metabolismus zu diskutieren.
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  • 34
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    Psychopharmacology 51 (1977), S. 279-283 
    ISSN: 1432-2072
    Keywords: Morphine ; Naloxone ; Abstinence signs ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Morphine pellets (75 mg) were implanted subcutaneously in albino rats. Three days later, following 24 h without water, these rats (Group MSN) were given access to a saccharin solution for 30 min, then injected with naloxone hydrochloride. The classical abstinence signs, including “wet dog shakes” and weight loss, were noted in these subjects, but not in controls given placebo pellets and/or saline injections. In addition, when given an opportunity to drink either saccharine solution or water 24 h later, Group MSN rats drank significantly less saccharin than any of the control groups. Similar drinking patterns were found even when naloxone injection was delayed as long as 3 weeks after pellet implantation, when none of the classical abstinence signs were seen and serum levels of morphine and its metabolites were 100 times lower according to radioimmunoassay. This simple and objective technique is thus more sensitive as a measure of prior morphine exposure than any of the commonly used indices. The continued utility of a dependent-nondependent dichotomy is also examined in light of these and other findings.
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  • 35
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    Psychopharmacology 54 (1977), S. 139-143 
    ISSN: 1432-2072
    Keywords: Atropine ; Cholinergic mechanisms ; Learning ; Ontogeny ; Passive avoidance ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract The maturation of cholinergic inhibitory mechanisms that may be involved in passive-avoidance learning was studied in rats 14, 17, 21, 25, 28, and 34 days of age. Acquisition and extinction of the conditioned response were examined under saline and atropine sulfate (5 mg/kg). Learning was also tested following scopolamine hydrobromide injections (1, 4, 8 mg/kg) in rats 17 days of age and following α-methylatropine (5 mg/kg) in 17-and 34-day-old groups. In normal animals the rate of acquisition increased during ontogenesis, with a significant improvement between postnatal days 17 and 21, whereas the rate of extinction did not vary with age. Acquisition was impaired by atropine sulfate at all ages and even totally prevented in younger groups (14 and 17 days of age). It was also completely disrupted by scopolamine in 17-day-old rats. Extinction following acquisition under atropine was more rapid than after normal acquisition. Methyl-atropine was without effect. These results support the hypothesis of central cholinergic mechanisms involved in response suppression, already functioning in the rat 14 days of age and maturing mainly between the 17th and the 21st postnatal days.
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  • 36
    ISSN: 1432-2072
    Keywords: Rat ; Exploratory behaviour ; Stereotyped behaviour ; Hole-board ; dl-Amphetamine ; Haloperidol ; Apomorphine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Exploratory and stereotyped behaviour of Male Wistar rats was studied on a hole-board. The two forms of behaviour were differentiated according to the pattern of hole-dipping activity. Increasing doses of dl-amphetamine stimulated both forms of behaviour with stereotyped behaviour becoming predominant particularly at the higher dose levels. At the highest dose of amphetamine used (16 mg/kg) a gradual transition from exploratory to stereotyped behaviour was observed with time. As the drug wore off this transition was reversed. Haloperidol at a dosage of 0.1 and 0.05 mg/kg blocked the response to a high dose of amphetamine whereas a lower dose (0.02 mg/kg) blocked the stereotyped response to amphetamine while some exploratory behaviour still took place. Apomorphine inhibited hole-dipping but at lower doses another form of exploratory behaviour was induced, this behaviour becoming stereotyped as the dose was increased. It is concluded that there is a close relationship between exploratory and stereotyped behaviours. Monoamine systems appear to play a significant role in the regulation of both forms of behaviour.
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  • 37
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    Naunyn-Schmiedeberg's archives of pharmacology 300 (1977), S. 205-216 
    ISSN: 1432-1912
    Keywords: Chronic ethanol treatment ; Rat ; Behaviour ; Central monoamines
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Rats weaned at 16 days of age were treated with various ethanol concentrations (8–24% w/v) for 270 days. The effect of the chronic ethanol treatment on the growth rate, the diurnal pattern of drinking, the open field activity, and the conditioned avoidance acquisition and retention of the rats were studied. Termination of the chronic ethanol administration caused two types of withdrawal syndromes. The first, an acute withdrawal syndrome was observed within 12 h after the discontinuation of the ethanol treatment and was characterized by extreme hyperexcitability. The second, a delayed withdrawal syndrome was characterized by a more coordinated behavioural stimulation and developed first after about 3 days after the discontinuation of the ethanol treatment. Biochemically, the latter withdrawal syndrome was accompanied by an increased rate of tyrosine hydroxylation (measured as the accumulation of dopa after inhibition of aromatic amino acid decarboxylase) in the striatum and dopamine-rich limbic structures. No differences in the accumulation of 5-hydroxytryptophan were observed. Furthermore, there was an increased level of dopamine concomitant with a decreased level of noradrenaline in the limbic areas during ongoing ethanol treatment. On the 4th day after withdrawal of ethanol the endogenous levels of dopamine and noradrenaline were statistically significantly reduced in the limbic structures. The data of the present study indicate that chronic ethanol administration induces various kinds of behavioural changes and that these changes at least partially are mediated via central catecholamine mechanisms.
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  • 38
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    Cell & tissue research 182 (1977), S. 505-511 
    ISSN: 1432-0878
    Keywords: Endothelium ; Cerebral artery ; Filaments ; Rod-shaped inclusion ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Endothelia of the anterior cerebral arteries in rats aged 1 to 3 days were studied. Thin (about 50–90 Å) and thick (about 100–110 Å) filaments are present in the endothelia. Numerous spherical- or rod-shaped bodies, measuring approximately 0.07 to 0.3 μm in diameter and up to 0.6 μm in length occur in the endothelial cells. These bodies contain a tubular structure. The diameter of the individual tubules is about 200 Å. The present observations suggest that spherical- or rod-shaped inclusions are first synthesized in the rough endoplasmic reticulum and thereafter these materials are transported into the Golgi complex for maturation. A small number of the inclusions, however, may originate directly from the rough endoplasmic reticulum and not pass through the Golgi apparatus.
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  • 39
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    Cell & tissue research 176 (1977), S. 431-443 
    ISSN: 1432-0878
    Keywords: Cornea ; Rat ; NaK-ATPase ; K-NPPase ; Histochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The sodium-potassium activated adenosine triphosphatase (NaKATPase) activity of the rat cornea was investigated histochemically using a Pb2+-precipitation technique in which adenosine triphosphate (ATP) is used as substrate and two methods for potassium-dependent para-nitrophenyl-phosphatase (K-NPPase) activity. With all the three techniques used it was demonstrated that the sodium-potassium-activated adenosine triphosphatase (NaK-ATPase) activity is localized in the cell membranes of the endothelium whereas a much weaker activity was observed in the epithelium. When the Pb2+-technique was used, the epithelial cell membranes showed a weaker reaction in the presence of ouabain. This activity was only Mg2+-dependent and was presumably due to an Mg2+-dependent ATPase. The validity of the histochemical techniques for NaK-ATPase activity is discussed. The results emphasize the importance of the endothelium as the main site of Na+ transport in the cornea. Small amounts of the enzyme are also present in the epithelium, which seems to be rich in Mg2+-ATPase. Provided that careful controls are performed, all the methods give consistent results in the cornea.
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  • 40
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    Cell & tissue research 176 (1977), S. 131-142 
    ISSN: 1432-0878
    Keywords: Pineal gland ; Graft ; Ultrastructure ; Innervation ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Pineal glands were grafted under the kidney capsule of mature male rats for periods of 20, 40, 60 and 100 days. Each grafted gland was then excised and divided into two halves. One half was processed for conventional electron microscopy and the other was fixed in aldehydes and then incubated in a zinc iodide-osmium tetroxide mixture at pH 4.4 (A-ZIO-4.4). During the forty days following the operation pinealocytes showed the typical ultrastructural features associated with cells with a high protein and/or peptide secretory activity. On the other hand, during this period, the number of granular vesicles decreased progressively. From day 40 on, the grafted pinealocytes lacked granular vesicles. During the second half of the experimental period the ultrastructure of the pinealocytes indicated that their secretory activity was considerably decreased. During the acute phase of the experimental period numerous structures regarded as the tip of growing axons as well as typical nerve fibres appeared around blood vessels and within the parenchyma of the grafted gland. In the transplanted tissue obtained 60 and 100 days after the operation the growth cones were scarce, whereas typical nerve endings became numerous. These endings contained small clear vesicles which reacted positively when the tissue was treated with A-ZIO-4.4. The secretory activity of the grafted pineal gland and the nature of the nerve fibres which innervate the graft are discussed. The authors wish to thank Mrs. E.M. Rodríguez de Calderón for her valuable help
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  • 41
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    Cell & tissue research 177 (1977), S. 287-290 
    ISSN: 1432-0878
    Keywords: Liver ; Intralobular nerves ; Rat ; Cobalt and Procion Yellow staining
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary In a recent study (Skaaring and Bierring, 1976) we found cholinesterase positive nerve-like structures in the lobules of rat liver, and scanning electron microscopy revealed cords having a distribution pattern similar to that of the cholinesterase-positive structures. To obtain further evidence for an intralobular nerve supply the methods of cobalt and Procion Yellow nerve staining (Stretton and Kravitz, 1968; Iles and Mulloney, 1971; Pitman, Tweedle and Cohen, 1972) were adapted, iontophoretic introduction of the dyes being attempted through cut axonal ends in the surface of small excised blocks of rat liver.
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  • 42
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    Cell & tissue research 177 (1977), S. 159-180 
    ISSN: 1432-0878
    Keywords: Muscle transplantation ; Rat ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Rat soleus muscles were autografted from right to left legs, and regeneration following necrosis of all original myofibres was studied after 7 to 250 days. The best regenerates were from grafts replacing all calf muscles and sutured to the tendon stumps. After 30 days the size of such regenerates was equal to those from minced gastrocnemius muscles: the cross sectional area of muscle tissue was 30% (1.7 mm2) and the number of fibres was 180% (4500) of normal soleus muscles; the fibre diameters were 10 to 40 μm. To increase the number of myoblasts before grafting some muscles were injured by Ringer solution of 70° C and transplanted after 2 days. Nevertheless, this did not influence regeneration. After 7 days clusters of myotubes occurred in the periphery of the muscle. These myotubes originated from myoblasts growing like endothelial cells on the inner face of the persisting basal lamina tubes of necrotic fibres. After 30 days the muscles were vascularized. Fibres formed in a common basal lamina detached and so looked “split”. Satellite cells of new fibres came from undifferentiated cells associated with myotubes, i.e. from myoblasts. After 30 days and more regenerates contained three sorts of fibres. 1. Thin (5 to 20 μm) fibres resembling fetal muscle fibres. They were most prominent after 30 days, and probably not yet innervated. 2. Thin (10 μm) degenerating fibres as in long-time denervated muscles. 3. Thick (more than 30 μm) mature looking fibres which were innervated and revealed end-plates. Half of the grafts studied after 30 and 60 days contained unmyelinated and myelinated axons which had grown along strands of surviving Schwann cells. After 250 days, only two muscles were studied which both lacked innervation. Almost all regenerates contained muscle spindles, which, however, were not innervated. Within the persisting spindle capsules new muscle fibres had been formed from satellite cells of the former intrafusal fibres.
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    Cell & tissue research 178 (1977), S. 73-82 
    ISSN: 1432-0878
    Keywords: Atrioventricular node ; Rat ; Innervation ; Ultrastructure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The problem of development of the innervation of the rat atrioventricular node has been investigated by electron microscopy. Nerve bundles appear in relation to the node as early as the second postnatal day and vesiculated axons are seen throughout the entire node by the fourth day. Intimate contacts between nodal cells, axons and terminal varicosities are frequently observed. Use of the 5-hydroxydopamine tracer technique has enabled the identification of both cholinergic and adrenergic axons. It is concluded that the node has a dual innervation although cholinergic endings far outnumber those classified as adrenergic on the sixth postnatal day. These results are quite different to earlier findings made at the light microscope level and the discrepancies are discussed with respect to the histochemical techniques used. The suggestion that nodal differentiation is induced by nerves is considered in relation to the differences in cholinesterase activity exhibited by nodal cells during normal development and following neonatal sympathectomy.
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    Cell & tissue research 178 (1977), S. 143-153 
    ISSN: 1432-0878
    Keywords: Median eminence ; Tanycytes ; Gonadal function ; Rat ; Japanese quail
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The ependymal linings of the median eminence were destroyed by electric cautery or intraventricular injection of picric acid in the rat and Japanese quail. In these animals the ventricular lumen near the median eminence disappeared due to adhesion of lesioned walls on both sides of the third ventricle. Electric lesions of the ependymal layer containing tanycytes did not induce appreciable disturbance in the estrous cycles. Rats in which tanycytes were lesioned by picric acid displayed 4-day estrous cycles after prolonged diestrus (10–22 days). After destruction of tanycytes in the quail, a photostimulated gonadal growth was observed. It is concluded that the tanycyte transport of the ventricular fluid to capillaries of the portal vessels appears unnecessary for maintenance of adenohypophysial gonadotrophic activities.
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    Cell & tissue research 182 (1977), S. 193-204 
    ISSN: 1432-0878
    Keywords: Glucagon ; Exocrine pancreas ; Secretory process ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Glucagon was infused into conscious rats in doses of 10 to 80 μg/h for periods up to 24 h. The effect on the secretory process of the exocrine pancreas was studied in vitro using isolated pancreatic lobules. A pronounced inhibition of the rate of protein synthesis and discharge of stored and newly synthesized proteins combined with increased enzyme content in the pancreas were observed after 30 min infusion. This effect was absent after longer infusion periods of up to six hours. After 12 to 24 h infusions a marked degranulation and decrease in enzyme content was observed. While the rate of protein synthesis was not significantly enhanced, both the basal and stimulated discharge of enzymes from the pancreas were increased. The results suggest a biphasic response of the pancreas to prolonged glucagon infusion.
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  • 46
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    Keywords: Paraventricular nucleus ; Rat ; Types of neurons ; Secretory cycle ; Herring body
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The ultrastructure of the neurosecretory cells in the paraventricular nucleus of the normal male rat was studied by electron microscopy during various functional states. Four morphologically distinct types of neurosecretory cells were observed. It appears that they do not represent different classes of cells but different phases of secretory activity of a single cell type. The perikarya of the neurosecretory cells show a definite cycle of formation and transportation of secretory granules. We have designated the phases of this cycle as: (1) phase of synthesis, (2) phase of granule production, (3) phase of granule storage and (4) phase of granule transport. The neurosecretory granules appear to be moved in bulk into the axons, forming a large axonal swelling filled with granules as a result of one cycle in the neurosecretory process. Thus it may be postulated that a secretory cycle in the perikaryon of the neurosecretory cell seems to result in the formation of a Herring body in its axon, and that its content is then conveyed to the posterior pituitary.
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  • 47
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    Langenbeck's archives of surgery 344 (1977), S. 207-217 
    ISSN: 1435-2451
    Keywords: Gastroenterostomy ; Duodenal reflux ; Epithelial lesions ; Nitrosoguanidine ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Der Einfluß des chronischen duodenogastrischen Refluxes auf die Magenschleimhaut des nicht resezierten Magens wurde im Hinblick auf die Disposition der gastroenteralen Anastomose für die Krebsentstehung tierexperimentell an männlichen Wistarratten untersucht. Hierzu wurden Tiere mit einer Gastroenterostomie ohne Enteroanastomose und Tiere, bei denen ein Reflux durch eine Y-Gastroenterostomie nach Roux ausgeschlossen war, mit einer zeitlich unterschwelligen Cancerogendosis (Nitrosoguanidin) exponiert. Es wird gezeigt, daß auch unabhängig von der Cancerogenexposition ein chronischer duodenogastrischer Reflux zu adenomartigen Drüsenproliferationen mit z. T. atypischen Epithelregeneraten an der Anastomose führt, die durch eine Gastroenterostomie nach Roux verhindert werden können. Anastomosencarcinome, wie in früheren Untersuchungen am resezierten Magen bei sonst gleichen Versuchsbedingungen beschrieben, konnten nicht induziert werden. Somit spielen für die Krebsentstehung an der gastroenteralen Anastomose neben dem Reflux auch die durch die Magenresektion selbst hervorgerufenen Veränderungen eine nicht unwesentlilche Rolle.
    Notes: Summary The cancerogenic effect of continous duodenal reflux on the gastric mucosa has been investigated in male Wistar-rats after gastrointestinal anastomosis. Groups of animals with gastroenterostomy without enteroenteral anastomosis and with Roux-en-y-anastomosis preventing duodenal reflux were treated with lower dosages of the cancerogenic Nitrosoguanidine. Proliferative mucosal alterations near the gastroenteral anastomosis were observed. In addition the gastric mucosa was characterized by adenomatous lesions caused by duodenal reflux. The changes detected were not influenced by Nitrosoguanidine and did not appear in cases of Roux-en-y-anastomosis.
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    Langenbeck's archives of surgery 344 (1977), S. 71-82 
    ISSN: 1435-2451
    Keywords: Cancer risk ; Resected stomach ; Rat ; Duodenogastric reflux ; N-methyl-N′-nitro-N-nitrosoguanidine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Es wurde die Frage geprüft, ob obligater duodenogastrischer Reflux unter Langzeitbedingungen das Wachstum von Carcinomen oder Sarkomen im resezierten Magen beeinflußt. 72 männliche Wistarratten wurden einer Magenresektion unterworfen. Die erforderliche Gastroenteroanastomose wurde bei 39 Tieren als short loop GE (Billroth II) mit obligatem Reflux von Galle und Duodenalsekret in den Restmagen angelegt. Die restlichen 33 Tiere erhielten eine Y-förmige GE (nach Roux) mit seitlicher Einmündung des Duodenum in den Dünndarm; Reflux von Galle in den resezierten Magen war dadurch unmöglich. Die Carcinominduktion erfolgte durch kontinuierliche Gabe von N-Methyl-N'-Nitro-N-Nitrosoguanidin im Trinkwasser. Bei der Sektion der Tiere mit Reflux 33 Wochen nach Carcinogengabe fand sich die Mehrzahl der malignen Tumore von Magenstumpf, Anastomose (GE) und angrenzendem Dünndarm in der Tiergruppe mit obligatem Reflux (13 von 22). Die Tiergruppe ohne Reflux (Y-Roux GE) wies demgegenüber signifikant weniger Carcinome auf (7 von 21); die Tumorincidenz dieser Gruppe entsprach derjenigen eines nicht operierten Kontrollkollektives (5 von 22). - Die Ergebnisse unserer Untersuchungen zeigen, daß die in der Technik des short loop durchgeführte Gastroenteroanastomose des Billroth 11-Magens das Krebswachstum im Anastomosengebiet in besonders ausgeprägtem Maße fördert. Ausschlaggebend für die gesteigerte Carcinominduktion ist der chronische Reflux von Galle und Duodenalsekret, der bei der short loop-GE obligat über den Magnrest fließt.
    Notes: Summary The purpose of this study was to find whether the reflux of bile and pancreatic juices following stomach resection (duodenogastric reflux) enhances the incidence of carcinomas near the gastroenteric anastomosis. 72 male Wistar rats were subjected to stomach resection. The gastroenteric anastomosis (GE) was performed either as short loop anastomosis (Billroth II;n = 39), thus providing a continuous duodenogastric reflux, or as Y-shaped GE (according to Roux;n = 33). By the latter technique, bile and pancreatic juices are derived quantitatively into the jejunum without coming into contact with the remaining part of the stomach. During a period of 33 weeks, operated rats as well as intact animals were given the carcinogen N-methyl-N′-nitro-N-nitrosoguanidine (NG; 120 mg/1) in the drinking water. At autopsy, 33 to 36 weeks after daily oral administration of NG, most of the tumours were found in operated rats undergoing continuous ref lux (Billroth II group). In contrast to these findings, the incidence of carcinomas was significantly lower in animals without reflux (Roux group or intact control rats).-The results of our experiments demonstrate that, in rats, the duodenogastric reflux contributes substantially to the development of carcinomas of the resected stomach.
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    Langenbeck's archives of surgery 344 (1977), S. 109-114 
    ISSN: 1435-2451
    Keywords: Gastric carcinoma ; Gastroenterostomy ; Bacterial flora ; Nitrit ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Die Anlage einer Gastroenterostomie ohne Enteroanastomose führt zu einer Veränderung der bakteriellen Magenbesiedlung, wobei besonders der Anteil nitritspaltender Bakterien erhöht ist. Dies hat ein Ansteigen der Nitrit-Konzentration im Magensaft zur Folge. Die hierdurch mögliche vermehrte Bildung carcinogener Nitrosamine wird im Hinblick auf das Entstehen eines Carcinoms im operierten Magen diskutiert. Da die beschriebenen Veränderungen durch eine Gastroenterostomie nach Roux weitgehend verhindert werden, soll dies bei der Passagewiederherstellung nach Operation am Magen berücksichtigt werden.
    Notes: Summary A gastroenterostomy without enteroanastomosis leads to a change in the bacterial flora of the stomach, where-by in particular the proportion of nitrite-decomposing bacteria, is enhanced. This results in an increase of nitrite concentration in the gastric fluid, which may possibly be accompanied by an augmented production of carcinogenic nitrosoamine. This latter aspect is considered with respect to the origin of carcinoma in the operated stomach. Since the reported changes will be largely prevented by a Roux-Y-gastroenterostomy, this should be taken into consideration for reconstruction of the alimentary tract after gastric surgery.
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  • 50
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    International Journal of Quantum Chemistry 11 (1977), S. 189-211 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The theory of pth-order singular differential equations is adaptable to the study of the system of recurrence relations occurring in the problem of a one-dimensional chain with pth-neighbor interactions. By using Green's formula, a mapping is defined between the space Vn of eigenvectors to the dynamical matrix and the symplectic space V2p of boundary conditions for the recurrence equations. The properties of the resolvent are obtained from an analysis of the solutions of a system of inhomogeneous equations and Green's matrix is constructed for the case of standard Sturm-Liouvilletype boundary conditions. The Weyl surface is discussed and its properties used for the construction of square summable sequences which in turn can be employed in expansion formulas. The generalization of Weyl's m-function in the second-order case (p = 1) becomes for p ≥ 2 a p × p matrix M(λ), where λ is a complex parameter. The imaginary part Im {M(λ)} is related to the spectral properties and serves as basis for the discussion of different concepts of spectral density for the normal modes of lattice dynamical problems. An important practical result is the equation M = -Ψa-1Φa valid in the limit point case, generalizing the corresponding second-order formula.
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    International Journal of Quantum Chemistry 11 (1977), S. 271-276 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An electrostatic correction to the energy of the EH method is deduced from the Hartree energy. A recent correction, due to Anderson and Hoffmann, is easily deduced as a particular case. Some calculations show how the correction can improve the description of stretching problems by EH calculations but poor results are obtained in bending and torsion problems.
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  • 52
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    International Journal of Quantum Chemistry 11 (1977), S. 317-324 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The basis set dependency of the core ionization potential of water was investigated for atomic optimized Cartesian Gaussian basis sets. Basis set parameters optimized for oxygen yielded better IP's than basis set parameters optimized for fluorine. Not much was gained by using different parameters for the ground state and for the 1s hole state.
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    International Journal of Quantum Chemistry 11 (1977), S. 325-339 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A recursive numerical integration scheme based on the method of Clenshaw and Curtis is proposed for the efficient implementation of the variation-iteration procedure for the computation of approximate energies and wave functions for atomic systems. Extensive numerical tests are carried out to assess the accuracy and efficiency of the method and inaccuracies in some earlier calculations are pointed out.
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  • 54
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    International Journal of Quantum Chemistry 11 (1977), S. 359-379 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The formalism described in the first paper of this series is applied to the chain SU(2) ⊃ D′∞ ⊃ D′4 ⊃ D′2, the covering of SO(3) ⊃ D∞ ⊃ D4 ⊃ D2. The state vectors (|αJaΓγ) adapted to each link of the chain under consideration and the corresponding coupling coefficients \documentclass{article}\pagestyle{empty}\begin{document}$ f\left( {\begin{array}{*{20}c} {J_1 } & {J_2 } & J \\ {a_1 \Gamma _1 \gamma _1 } & {a_2 \Gamma _2 \gamma _2 } & {a\Gamma \gamma } \\ \end{array}} \right) $\end{document} are given in analytical form. The material reported here is very convenient for a quantum-mechanical description of molecular and nuclear systems with linear, tetragonal, or orthorhombic symmetry. In this respect, we present an outline for its applications to the electronic and vibrational-rotational spectroscopy of molecular aggregates and to the rotational spectroscopy of molecules or nuclei. In addition, we briefly show how the material may simplify the second-order non-Lie subgroup type approach to the representation theory of SU(2).
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    International Journal of Quantum Chemistry 11 (1977), S. 415-425 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The transferability of bonds in a set of small molecules has been explored. The molecular wave-functions have been calculated from the group (or loge) function method, via a construction based on Gaussian functions. The transferability is very good and the effect of lone pairs on adjacent bonds has been analysed. Furthermore, a very simple procedure has been proposed to estimate the frontiers of the bonds.
    Additional Material: 5 Ill.
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    International Journal of Quantum Chemistry 11 (1977), S. 441-450 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A series of LCAO-MO-SCF calculations, using various basis sets of Gaussian-type functions, has been made in order to study the effects of p, d, and f polarization functions for a 10-electron isoelectronic series of oxygen hydrides and for an 18-electron isoelectronic series of sulfur hydrides. Conclusions from these results suggest that meaningful proton affinities cannot be calculated without the inclusion of a d function on the heavy atom and a p function on the hydrogen atoms.
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  • 57
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    International Journal of Quantum Chemistry 11 (1977) 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 58
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    International Journal of Quantum Chemistry 11 (1977), S. 759-766 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A two-parameter ω-technique for MO calculations is proposed. The parameters ω and ω′ are chosen empirically to obtain a good agreement between calculated and observed bond lengths. The method amounts to an inclusion of the effect of nearest-neighbour electronic repulsion integrals into the conventional ω-technique.
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    International Journal of Quantum Chemistry 11 (1977), S. 907-916 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
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    International Journal of Quantum Chemistry 11 (1977), S. 1001-1004 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    International Journal of Quantum Chemistry 11 (1977), S. 1043-1043 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
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  • 62
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    International Journal of Quantum Chemistry 12 (1977), S. 593-608 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Floating spherical Gaussian orbital (FSGO) open-shell calculations have been made to determine the potential energy surface of planar square and rectangular arrangements of the four-electron system H4. This surface is discussed in relation to the bimolecular isotope exchange reaction H2+D2-→ 2HD. The changes in energy and geometry accompanying the coplanar approach of two hydrogen molecules interacting chemically have also been investigated. Calculations on the electronic energies of planar T-shaped and kite arrangements of H4 of various sizes show that it is unlikely that these configurations can serve as transition states for the exchange reaction. However, the energy curve for linear configurations of H4 (H—H—H … H), calculated as a function of the H3 … H distance with the symmetric linear H3 (H-H-H) unit fixed at the internuclear distance of 1.9080 a.u., is found to have a deep minimum (-1.9176 a.u.) at an r(H3 … H) distance of 1.5846 a.u. The overall results suggest that the following mechanism for the exchange reaction, H2+H2→H2+H+H→H3+H→H+H2+ H→H2+H2 could be advantageous as it requires a barrier height of 0.1604 a.u. which is significantly lower than that calculated from the saddle point energy (0.1950 a.u.). However, the problem of reconciling this with the experimental activation energy of 0.0685 a.u. still remains.
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  • 63
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    International Journal of Quantum Chemistry 12 (1977), S. 655-670 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Excitation energies and transition moments have been determined from a second order polarization propagator and the effect of including energy shifted denominators has been investigated. Results for Be and CH+ show a change of 2-5% for the transition moments and of 0-20% for the singlet excitation energies in a second order approach compared to a first order (time-dependent Hartree-Fock) approximation. Both Be and CH+ are triplet unstable in the time-dependent Hartree-Fock approximation. The triplet instability is removed for Be but not for CH+ in a second order polarization propagator approach.
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  • 64
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    International Journal of Quantum Chemistry 12 (1977), S. 759-763 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The spherical limit of a single particle in the field of three nuclei is shown to exhibit a variety of phenomena associated with the stability of the various extrema involved. Some consequences with respect to the general problem of detecting broken symmetry solutions of variational problems are pointed out.
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  • 65
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    International Journal of Quantum Chemistry 11 (1977), S. 895-895 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 66
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    International Journal of Quantum Chemistry 11 (1977), S. 931-941 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: One of the variants of Löwdin's partitioning technique that makes use of a Brillouin-type perturbation expansion for the study of lower bounds to the eigenvalues of a Hamiltonian has not been applied to any practical quantum mechanical problem so far. To illustrate how powerful this method can be, an application is made to the rigid rotator in an electric field, which has already been studied by Choi and Smith using the bracketing function of an intermediate Hamiltonian. It turns out that for a given order of the basis set of the Bazley space the Brillouin-Löwdin perturbation expansion gives closer bounds than the method of Choi and Smith, except for the case l = m, where the procedures can be shown to be mathematically equivalent. Especially for high l - m the number of basis functions needed to attain the same accuracy is by far larger for the method of Choi and Smith than for the Brillouin-Löwdin method.
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  • 67
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    International Journal of Quantum Chemistry 11 (1977), S. 991-1000 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The solution of the quantum-mechanical one-particle problem involving a Coulomb potential with a cut-off contains Whittaker functions, difficult to evaluate individually. However, the energy expression involves a ratio of two contiguous Whittaker functions, and the entire ratio is easily expressed as a convergent continued fraction. Representative energy eigenvalues are calculated, correcting the errors due to an earlier Bessel function approximation by Wannier.
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  • 68
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    International Journal of Quantum Chemistry 11 (1977), S. 380-380 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 69
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    International Journal of Quantum Chemistry 11 (1977), S. 1005-1015 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have explored two areas of approximately rigorous calculations for computing nonempirical wave functions for heavy and/or large molecules orders of magnitude faster than with conventional ab-initio methods but with the same chemical accuracy.First, we have developed and used a series of programs (starting from our new fast sets of ab-initio Gaussian SCF and SCF-CI programs) incorporating ab-initio effective core model potentials (MOD-POT) which allow one to treat only the valence electrons explicitly, plus a charge conserving integral prescreening, which cuts down significantly on the number of integrals that have to be calculated, stored, or processed for a large molecule. We have named this latter procedure VRDDO (variable retention of diatomic differential overlap). With these MODPOT and MODPOT/VRDDO methods we have explored a variety of small, medium, and large systems ranging from electron affinities of atoms through to molecules of biological interest and large boron hydrides. The results compared to ab-initio SCF or SCF/CI calcuations are very good, usually within 0.001 to 0.002 a.u. for orbital energies and gross atomic populations (GAPS) and even better along potential energy curves.Secondly, we have explored the use of the MS-Xα method for less conventional molecules and properties than those for which it is customarily employed.
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  • 70
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    International Journal of Quantum Chemistry 12 (1977), S. 11-17 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The AMO function of the hydrogen molecule ψ = ψc + η ψi, where ψc is the covalent part and ψi the ionic part, is investigated for small internuclear distances R. We found η → -1 as R →,-1 as R → 0, contrary to the intuitively expected limit η → 1. However, near R = 0 an analytical expression of ψ is derived, showing that ψ reduces to the helium ground state as R → 0. We have proved that the empirical concept „covalent and ionic character“ should be replaced by the symmetry argument in the case of small R.
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  • 71
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    International Journal of Quantum Chemistry 11 (1977), S. 561-576 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is known that the 2l+1 spherical harmonics Ylm can be transformed into cyclically equivalent orbitals, of which only a few examples have so far been given explicitly. In this article the totality of such cyclic sets is derived.It is demonstrated that other kinds of equivalent spherical harmonics do not exist.Finally a set of five equivalent d orbitals related to icosahedral symmetry is introduced.
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  • 72
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    International Journal of Quantum Chemistry 11 (1977), S. 605-611 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The parameter optimization method of Part I is applied to the exponents of real STOS of first row atoms. In addition to minimum basis ground states, some independently optimized excited states are discussed in the case of Be. Local minima on the energy versus parameter surface are found in 4-configuration functions for the ground state of N. They are not present in either the simpler minimum basis function or in a more complete 8-configuration function.
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  • 73
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    International Journal of Quantum Chemistry 11 (1977), S. 849-867 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A time independent diagrammatic technique based on the Wick theorem and graphical methods of spin algebras, as outlined in Part I, is applied to a simple open shell case having one unpaired electron in addition to the pure singlet closed shell. Compact explicit expressions for the matrix elements of a spin independent Hamiltonian between conveniently chosen spin symmetry adapted states are given for the ground, mono- and bi-excited configurations.
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  • 74
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    International Journal of Quantum Chemistry 11 (1977), S. 885-894 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Gaussian orbitals are used to calculate Temple lower bounds for H2+, HeH++, and H3++. Molecular orbitals are constructed from individual Gaussian-type orbitals (GTO) and from GTO contractions adapted for either upper or lower bounds of the hydrogen atoms. The MOS are optimized by minimizing either the upper bound, 〈H〉, or the variance, 〈(H - E)2〉. The best Temple lower bounds achieved by these methods are -0.60336 a.u. for 2+, - 1.06224 a.u. for HeH++, and -0.13003 a.u. for H3++. Comparison is made with other types of molecular orbitals and with the exact wave functions for 2+, HeH++. Analysis of the nuclear cusps is given. A prescription for constructing lower bound molecular orbitals is offered.
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  • 75
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    International Journal of Quantum Chemistry 12 (1977), S. 1-9 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this paper static dipole polarizabilities and shielding factors of 3p open-shell atomic systems from A1 to C1 are presented using coupled Hartree-Fock theory in the Roothaan scheme. The calculation was made for the ground as well as for some valence excited states of the ions. A variational approach was adopted to obtain the polarizability values and the results are compared with the existing data wherever possible. The shielding factor values are in good agreement with the theoretical N/Z ratio.
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  • 76
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    International Journal of Quantum Chemistry 12 (1977), S. 61-81 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: New, more accurate, Hartree-Fock limit energies (EHF) for ethane and ethylene are obtained from SCF total molecular energie using Ermler and Kern's procedure. These results, together with EHF values for other small closed shell molecules, are employed to calculate correlation energy (Ec) contributions to reaction heats. Cancellation to within 98% of the total Ec involved, and often to more than 99%, is found for a wide variety of chemical reactions, which strongly suggests that there are systematic regularities in the contribution to Ec from the different kinds of electron pairs in the valence shell. Assuming trictly localized pairs occupying orbitals having strongly directional character, Ec for the valence shell is evaluated in terms of Ec per lone pair, Ec per X—H bond, and Ec per X/X shared pair for Ne and for molecules containing first row atoms, where X is C, N, O, and F.
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  • 77
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    International Journal of Quantum Chemistry 12 (1977), S. 83-92 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Hartree-Fock and first natural spin determinants were compared as reference determinants for calculating various one-electron properties such as ρ(0), 〈½∇〉, 〈r-2〉,…, 〈r3〉, and r-112〉. Calculations were made on various small atoms and their positive and negative ions. For nearly all the expectation values studied, the first natural spin orbital determinant gave consistently superior results. In particular, the Hartree-Fock functions gave markedly inferior results for some long range properties such as the magnentic susceptibilities of negative ions. The major correlation error in the expectation values is primarily an orbital effect which may be accounted for by including correlation terms in the one-particle Hamiltonian. Such approximate Brueckner or best overlap orbitals should reproduce most one-electron expectation values accurately.
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  • 78
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    International Journal of Quantum Chemistry 11 (1977), S. 1021-1033 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We describe an attempt to use the AMO method for the investigation of insulator metal transitions. One of the main features of the calculation is that it permits an extension of the AMO method to finite temperatures.The ability of the model to account for such transitions is emphasized for the special case of linear antiferromagnetic systems. We discuss possible generalizations by pointing out that there exists a connection with Peierls' model.
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  • 79
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    International Journal of Quantum Chemistry 12 (1977), S. 19-28 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The theory for treating exchange interactions between atoms or molecules as a perturbation, which was first propoed by Jansen, is extended to general cases by the use of the group algebraic technique and a nonorthogonal basis set. As a result, a new expresion for the perturbation ket and energy of each order is obtained. A comparion of the expression with those presented by other investigators is made.
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  • 80
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    International Journal of Quantum Chemistry 12 (1977), S. 105-113 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Momentum densities obtained from the Heitler-London (HL) wave functions for diatomic molecules and those from the corresponding valence-bond (VB) wave functions including ionic terms are compared. In each case they shown maxima in the direction perpendicular to the bond. However, the dependence of momentum densities on mutual orientations of the two electronic momenta is quite complex in the latter case. The improvement in the Compton profile on including the ionic terms is illustrated with the example of H2. The momentum denmsities obtained from the VB wave function constructed from orthogonalized atomic orbitals (OAO) have also been examined. The HL wave function with OAOS leads to the same momentum distribution as the repulsive state HL wave function constructed from overlapping AOS.
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  • 81
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    International Journal of Quantum Chemistry 12 (1977), S. 161-191 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A unitary group formulation of the many-electron problem is employed to give explicit representations of state vectors which are convenient for the discussion of progerties derived from propagatorcalculations. New results are obtained concerning the nature of various random-phase-like approximations and ground state representatives are generated from consistency requirements for the spectral resolution of the polarization propagator. The explicit solution admits the calculation of ground state average values for arbitrary operators and a variational upper bound to the ground state energy.
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  • 82
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    International Journal of Quantum Chemistry 12 (1977), S. 215-223 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The invariance question int he CNDO and INDO levels of approximation is discussed with particular reference to one-center and two-center two-electron integrals and rotation of molecule-fixed coordinate axes. It is shown that asufficient condition for rotational invariance for the cone-center two-electron integrals is Jμμ = Jμμ, +2Kμμ, where J and K are the Coulomb and exchange integrals over orbitals μ μ′ with the same azimuthal quantum number. CNDO and INDO procedures, which explicitly employ Löwdin's orthogonalized basis set of atomic ortbitals (OAO) and differentiate between s-, p-, and d-orbitals on an atom in calculating various integrals, have also been examined in relation to the rotational invariance requirement. An expression which satisfies rotational invariance for two-electron Coulomb repulsion integrals over OAOS is also given.
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  • 83
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    International Journal of Quantum Chemistry 12 (1977), S. 227-229 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 84
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    International Journal of Quantum Chemistry 12 (1977), S. 291-303 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We investigate the total spin structure of an approximate localized-site wave function for a collection of paramagnetic sites interacting so as to favor a singlet ground state. As the number of sites becomes infinite we obtain the distribution of weights of the different symmetry components of the localized site wave function; further, although only a very small fraction of such nonsymmetric wave functions is actually singlet, we find that it generally yields the same bulk property expectation values as its singlet-projected component.
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  • 85
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    International Journal of Quantum Chemistry 12 (1977), S. 317-326 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By use of the pseudo-inverse matrix technique the generalization of the Löwdin orthogonalization, given by Kashiwagi and Sasaki, is shown to be valid in a case of singular metric matrices for two basis sets of functions. The application of the same idea to the inverse vibrational problem brings about new procedures for solving this problem in an iterative way.
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  • 86
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    International Journal of Quantum Chemistry 12 (1977), S. 431-431 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 87
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    International Journal of Quantum Chemistry 12 (1977), S. 397-426 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Klein has pointed out that des Cloizeaux's orthonormalization is just another formulation of Löwdin's symmetric orthonormalization. We demonstrate that des Cloizeaux's formulation is convenient for theoretical discussions and that it is intimately connected with polar decomposition--which is a generalization to operators of the fact that any complex number z can be written r exp (iθ) where r is positive and θ real. We generalize two other properties for z and find an interpretation of the Carlson-Keller theorem. Recently Lathouwers found that Löwdin's canonical orthonormalization leads to the eigenvectors of a positive operator. This operator is des Cloizeaux's. We discuss some variational theorems on this background and find the Courant-Hilbert-Löwdin “measure of linear independence” from a simple least squares consideration, closely related to Lathouwers' results.An orthonormalization due to Schweinler and Wigner (1970) is observed to be Löwdin's canonical. The Schweinler-Wigner maximum characterization is referred to a simple general theorem, which also implies a new maximum characterization.In Sections 6 and 7 we consider transformation to an effective Hamiltonian from the point of view of polar decomposition and symmetric orthonormalization. It turns out that the polar part of Bloch's transformation is des Cloizeaux's. The characterizations of this by both Klein and Jørgensen are visualized in a simple way.
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  • 88
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    International Journal of Quantum Chemistry 12 (1977), S. 457-469 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The method of fractional parentage is extended to the general case of mixed configurations in arbitrary nonsimply reducible groups, G ⊂ SO(3). Particular attention is devoted to the calculation of coefficients of fractional parentage (CFP) and expressions are provided for the matrix elements of F and G type operators between N electron functions.
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  • 89
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    International Journal of Quantum Chemistry 12 (1977), S. 495-503 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An exact collision theory of unimolecular and bimolecular gas phase reactions is derived from a general quantum-mechanical formulation of reactions rates based on the assumption that the reactants are in thermal equilibrium. In this way the quantum corrections to the classical collision theory expressions are rigorously defined. Approximate formulas for these corrections make it possible to determine well the temperature ranges within which the classical and the semiclassical approximations are valid. A comparison is made between the collision and the transition state theory with emphasis on some conceptual difficulties of the latter in treating the simple decomposition and recombination reactions. It is shown that in the classical (high temperature) limit these theories are incompatible except when the reaction coordinate is entirely separable (i.e., when the transition state theory is no longer useful).
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  • 90
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Further developments of a recent semiempirical, variable effective charge MO theory for calculation of ionization potentials (IP) and electron affinities (EA) as energy differences between separately minimized ground and ionized states are reported. The method is extended to adiabatic as well as vertical IPS and EAS by including core repulsion and σ bond compression energies in the total energy. The method is generalized to heteroatomic systems and is simplified by neglecting penetration integrals. As before, only two molecular parameters, the vertical IPS of benzene and naphthalene, are required to set the magnitude of the σ changes associated with the polarization of the core during loss or gain of a π charge. Twenty-seven aromatic molecules are studied, including polyacenes, condensed ring compounds, nonbenzenoids with five and seven member rings, nonplanar molecules, and heteroatomics with N+, as in pyridine, N+2, as in pyrrole, and O+2, as in furan. The results are within 0.2 eV of the photoelectron spectroscopic vertical IPS and the predicted vertical-adiabatic separation is consistent with the shape of the first band. The calculated EAS are within 0.2 eV of the observed values.The calculation is used to predict the IP and EA of the ionic photosensitizing cyanine dye, pinacyanol. The values obtained are consistent with the latest measured IP and EA of the adsorbed dye, corrected for surface and aggregation polarization effects.
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  • 91
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    International Journal of Quantum Chemistry 11 (1977) 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 92
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    International Journal of Quantum Chemistry 11 (1977), S. 21-47 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A full set of harmonics which are at the basis of all irreducible representations of the cubic point group and having order l ≤ 16 has been calculated in terms of Cartesian coordinates. Due to their complication, former calculations of harmonics in Cartesian coordinates for half of the irreducible representations did not exceed l = 6. The method presented in this paper is a modification of that originally given by Von der Lage and Bethe; it can be readily applied to the calculation of harmonics of arbitrary order for any irreducible representation of the cubic point group.
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  • 93
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Following Kohn (reference 4), Schlosser and Marcus (reference 3), and Weare and Parr (reference 2), an energy functional is defined for a molecular problem which is stationary in the neighborhood of the exact solution and permits the use of trial functions that are discontinuous. The functional differs from the functional of the standard Rayleigh-Ritz method in the replacement of the usual kinetic energy operators T̂(μ) with operators T̂′(μ) = T̂(μ) + Î(μ), where Î(μ) generates contributions from surfaces of nonsmooth behavior. If one uses the ∇Ψ · ∇Ψ way of writing the usual kinetic energy contributions, one must add surface integrals of the product of the average of ∇Ψ and the change of ∇Ψ across surfaces of discontinuity.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 94
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 149-161 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for calculating the vertical ionization potentials and electron affinities according to their fundamental definition as differences between energies of the singlet ground and doublet ionized states is developed for cyclic hydrocarbons. The method adopts a new approach based on the central idea of a recent ab initio IP and EA calculation in which orbital exponents are optimized for both ground and ionized states. Hence, all the semi-empirical parameters of the MO theory are written as functions of the effective nuclear charge which, in turn, is made self-consistent with the molecular electronic charge distribution of the species. Although the MO theory is developed in the π electron approximation, the changes in the σ electron density, resulting from the loss or gain of a π electron, are explicitly considered in the calculation. The theory is compared to the earlier work of Hoyland and Goodman and tested against the first five polyacenes and on the condensed ring aromatics phenanthrene, pyrene, and perylene. Except for perylene, the results are in close agreement with the latest photoelectron spectroscopic measurements.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 95
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A computational procedure which introduces some electron correlation into quantum mechanical calculations is described. Diverse applications are given. Among these, the method gives values of 65.6 kcal/mole for the dissociation energy of LiH, 62.0 kcal/mole for the ring-opening energy of cyclopropane, and 9.123 × 155 dynes/cm for the O-H stretching force constant of H2O. These results, and others given, suggest that our procedure has great potential and provides a very economical method for introducing electron correlation into a wave-function.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 96
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 277-281 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Parseval's identity for orthonormal bases in Hilbert space is generalised to characterise uniquely biorthonormal bases among biorthonormal systems.
    Type of Medium: Electronic Resource
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  • 97
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 301-315 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper studies the decay, due to the spin-lattice coupling, of two ½ spins with slightly different Zeeman energies when the lattice is thermally excited. The analysis is based on obtaining, by means of the Nakajima-Zwanzig projection operator technique, an equation for the evolution of the reduced density operator of the spin system which manifests the influence of one spin on the relaxation process of the other. The zero-order solutions obtained for the evolution of the expectation values of the spin dynamics operators are essentially equivalent to the Bloch equations; higher order solutions are also obtained.
    Type of Medium: Electronic Resource
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  • 98
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 349-358 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new algorithm for the computation of the density of states distributions of stereoregular polymers is presented. It is related to the Gilat-Raubenheimer technique for three dimensional systems. Its application to polyethylene is briefly described.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 99
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 1-15 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The influence of errors in molecular integrals on the calculated RHF energy values is considered for two models which correspond to round-off and shift errors. The energy variations induced by errors in elements of one- and two-electron matrices and the overlap matrix are represented in a quadratic approximation and the same degree of accuracy is maintained for mean values and standard deviations. The formulas given point out that mean values are less than zero when some of the errors are non-shifted. Special care is required when Gaussian lobe functions are used.
    Type of Medium: Electronic Resource
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  • 100
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 17-20 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A derivation of most general existence conditions for surface states of a semi-infinite Kronig-Penney crystal is reported. They reduce to Steslicka's conditions under a subsidiary restriction and also indicate that the surface-state energies may lie in the allowed bulk bands. Numerical computations supporting the qualitative conclusions are provided.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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