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  • 1985-1989
  • 1975-1979  (803)
  • 1975  (803)
  • Organic Chemistry  (659)
  • Atomic, Molecular and Optical Physics  (99)
  • Rat
Material
Years
  • 1985-1989
  • 1975-1979  (803)
Year
  • 1
    ISSN: 1432-2307
    Keywords: Lathyrism ; Capillaries ; Rat ; Ultrastructure ; Flavonoids
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The ultrastructure of rat myocardial capillaries was studied in the course of experimental lathyrism. Endothelial cells were hypertrophic, with a sinuous profile of the plasma membrane facing the lumen and with a consistent increase of pinocytotic vesicles; the nuclei were irregular in shape; ATPase activity was no more demonstrable. Therefore, various and well distinct structural endothelial mechanisms seem to be primarily involved, causing an alteration of the dynamics of transcellular exchanges and of the permeability of the vascular wall. Simultaneous treatment with certain flavonoids, (O-(β-hydroxyethyl)-rutosides and Na(+)-epicatechin-2-sulfonate), resulted in a less pronounced alteration and a more rapid recovery. The possibility of the existence of a common site of action of lathyrogens and flavonoids is raised in the discussion.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Research in experimental medicine 165 (1975), S. 213-217 
    ISSN: 1433-8580
    Keywords: Rat ; Lymph nodes ; lymphography
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Most the lymphatic system in the rat was directly observed in our experiment by radiological means. The lymphatics of the limbs were firstly revealed by subcutaneous injection of Patent Blue V. Lipiodol was used as radio-opaque compound injected by a micro-technique fully described by the authors.
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Mycopathologia 55 (1975), S. 53-55 
    ISSN: 1573-0832
    Keywords: Rubratoxine B ; Mitochondria ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract The in vitro effect of rubratoxin B on the electron transport system of rat liver mitochondria was investigated. This mycotoxin depressed oxygen consumption in ADP-lacking mitochondria and in ADP-coupled mitochondria, using succinate or β-hydroxybutyrate as substrats. Rubratoxin B is neither an oxidative-phosphorylation inhibitor nor uncoupling agent. Its effect is compared with aflatoxin B1.
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 148 (1975), S. 73-87 
    ISSN: 1432-0568
    Keywords: Rat ; Temporal cortex ; Synaptogenesis ; Retzius-Cajal cells ; Poly morphous cells
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The onset of synaptogenesis was studied in the temporal cortex of rat fetuses whose age ranged between 15 and 19 days of gestation. First synapses were found at a surprisingly early stage of cortical development: on day 16. These contacts showed relatively few vesicles and very inconspicuous membrane-thickenings. They were located in the marginal layer, above as well as below the narrow band formed by the newly arrived first neuroblasts of the prospective cortical plate. The postsynaptic structures were probably dendrites of the horizontally or obliquely orientated neurons scattered throughout the marginal layer (such neurons were seen even within the cell-dense band). On day 17, the cortical plate separated the differentiated cells definitely into a superficial and a deep population. As on the following days, synapses were found above and below the cortical plate but not within it. In addition to contacts showing the same features as those described on day 16, there were already synapses with numerous vesicles and clearly asymmetric membrane thickenings. On days 18 and 19 the borders of the cortical plate became more clear-cut. The well-differentiated neurons situated above and below this plate could now be identified as Retzius-Cajal cells of the prospective molecular layer and as polymorphous cells of the layer VI b respectively. The presence of axo-somatic contacts on these neurons provided direct evidence that both cell types are targets for synapses. Desmosome-like junctions were found even in the youngest fetuses studied. Their roughly symmetric membrane thickenings were clearly more conspicuous than those of earliest synapses. Desmosome-like junctions occurred very frequently between structures which subsequently were never seen to become synaptically linked. During the entire period studied, numerous coated vesicles fused with cell membranes were noted. Such “open” vesicles were seen on neurons (sometimes in the immediate vicinity of synapses) but also on non-nervous, extracortical as well as intracortical structures. Thus there does not seem to be a specific relationship between desmosome-like junctions and coated vesicles on the one hand and synapse formation on the other.
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 148 (1975), S. 47-58 
    ISSN: 1432-0568
    Keywords: Rat ; Endometrium ; Ultrastructure ; Progesterone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The effects of various dosages and of various time periods of treatment with progesterone have been studied in the spayed, mature rat. Test objects were the cells of the luminal epithelium and of the endometrial stroma which were examined by qualitative and quantitative electron microscopy. No significant response was observed in epithelial or stromal cells until after 12 hrs of progesterone treatment. The nuclei of both cell types were then more circular than earlier with reduced long diameters. The functional significance of this change in configuration is unclear since only in the stromal cells was it followed by nuclear growth. Further, after 12 hrs of treatment the relative amounts of mitochondria and granular endoplasmic reticulum of stromal cells were reduced while the volume of the stromal cell cytoplasm appeared enlarged. This is taken as evidence that progesterone causes an intracellular oedema probably by decreasing cell membrane permeability. This response is probably not specific for the stroma but also includes the luminal epithelium, although the volume of the epithelial cell cytoplasm could not be determined here. Nucleolar enlargement did occur in stromal cells and was observed after 12 hrs of treatment but was not significant until after 24 hrs. At this point of time the net amount of granular endoplasmic reticulum in stromal and epithelial cells was increased indicating an increased protein synthesis in both cell types. However, only in the stromal cells was this associated with nucleolar enlargement, which supports the idea that progesterone stimulates protein synthesis through different mechanisms in the two cell types. Testing various dosages of progesterone showed that 0.5 mg had an effect similar to 5 mg of progesterone. When 0.05 mg progesterone was injected the only effect observed was an increase in the amount of apical vesicles of the luminal epithelium, showing that the epithelium is more sensitive to progesterone than the stroma.
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Anatomy and embryology 148 (1975), S. 89-97 
    ISSN: 1432-0568
    Keywords: Superior cervical ganglion ; Paraganglionic cells ; Rat ; Guanethidine ; Catecholamines
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Paraganglionic cells in the rat superior cervical ganglion were investigated by fluorescence and electron microscopy following treatment with guanethidine for 5–30 days. Control animals received saline and guanidine. Fluorescence cytophotometric measurements revealed a general decrease in the catecholamine content of paraganglionic cells in guanethidine-treated animals. However a few cell clusters showed focal increases. Similarly by electron microscopy there was a general decrease in the number of dense core vesicles in the majority of paraganglionic cells with a minority of cell clusters showing increases.—guanethidine—as well as guanidine—treated animals showed non-specific cytological alterations such as mitochondrial swelling and increase of cytoplasmic glycogen. However no changes of catecholamine contents and of dense core vesicles were noted in control animals. These results confirm the conception that in rat paraganglionic cells the dense core vesicles are the main storage site of catecholamines. The marked difference in the response of some cell clusters to the experimental treatment can be considered as evidence of functional heterogeneity of this cell population in the rat superior cervical ganglion.
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  • 7
    ISSN: 1432-0568
    Keywords: Corticotropin releasing factor ; Neurosecretion ; Hypophysis ; X-irradiation ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In 195 female Wistar rats the influence of adrenalectomy, total body X-irradiation and dexamethasone treatment on the amount of CRF-granules in the external zone of the median eminence and “classical” neurosecretory material (NSM) in the internal zone of the median and in the posterior lobe of the hypophysis has been studied. In the normal rat only very few CRF-granules occur. 15 days after adrenalectomy increased amounts of CRF-granules but normal amounts of “classical” NSM are found. X-irradiation leads to a slight diminishment of “classical” NSM in normal rats. In adrenalectomized animals X-irradiation causes no changes in the amount of “classical” NSM but a marked decrease in the amount of CRF-granules. Application of dexamethasone from the 15th to 18th day after adrenalectomy enhances the augmentation of CRF-granules in irradiated and non-irradiated rats but does not influence the amount of “classical” NSM. The findings show that no correlation exists between the quantitative changes of CRF-granules and “classical” NSM under the experimental conditions used. Therefore it is to be assumed that the release of the two substances is regulated by different control mechanisms and that the substances have a different functional significance. The observations do not exclude the possibility that CRF-granules and “classical” NSM are biochemically identical.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Inflammation research 5 (1975), S. 57-61 
    ISSN: 1420-908X
    Keywords: Rat ; Lymphostatic encephalopathy ; Harmine ; Tremor ; Antiphlogistics ; Blood-brain barrier ; Permeability
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Injection of the tremorigenic alkaloid harmine into lymphostatic encephalopathic rats leads to a longer duration of tremor and higher brain concentrations than in shamoperated controls. In lymphostatic encephalopathic as well as in normal rats different antiphlogistics shorten the tremor duration and decrease harmine concentraion in brain. The antiphlogistics do not influence the plasma concentration of harmine, its protein binding and its tremorend concentration in brain. The effect of antiphlogistics in lymphostatic encephalopathic rats is considered as a consequence of the reduced blood-brain barrier permeability. Obviously in sick animals the blood-brain barrier permeability for harmine is not increased; the prolonged harmine tremor and the increased alkaloid concentration in the brain are consequences of the impaired cerebral lymphatic drainage only.
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  • 9
    ISSN: 1432-0533
    Keywords: Experimental CNS tumours ; Methylnitrosourea ; Ethylnitrosourea ; Clonal growth ; Serum-free culture ; db cAMP treatment ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Six clones from methylnitrosourea (MNU) or ethylnitrosourea (ENU) induced tumours obtained in the nervous system of the rat were cultured in serum-free medium or treated with dibutyryl cyclic AMP (db cAMP) in vitro. All clones originated from longterm cultures. Three clones forming sarcomas after syngeneic transplantation showed only very slight changes following treatment, whereas the three glioma clones showed striking alterations. They formed long processes or showed rounding of their perikarya. In serum-free medium the cellular shape is intermediate between that seen in normal conditions and that seen in db cAMP treated cultures. The altered cultures resemble the primary cultures of the respective tumours. The relationship of these alterations to tumour types are discussed.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Diabetologia 11 (1975), S. 49-55 
    ISSN: 1432-0428
    Keywords: Rat ; blood glucose ; plasma insulin ; pancreas perfusion ; insulin secretion ; thyroxine ; glucose ; tolbutamide ; pyruvate ; isoprenaline
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Thyroxine treatment increases blood glucose and plasma insulin levels in the rat. The hypoglycemic effect of tolbutamide is more pronounced in treated animals. The immediate insulin secretory response of the isolated perfused pancreas to maximal, but not to submaximal, glucose stimuli was increased after thyroxine treatment, especially in the lower dose range. However, as thyroxine treatment reduces insulin release during the prolonged late phase, the total amount of insulin released from the pancreas is reduced. Both the early response to tolbutamide and the subsequent basal secretion were increased after thyroxine treatment. When the pancreas of treated rats was exposed to glucose plus pyruvate the inhibition of the late phase was reversed. Isoprenaline did not overcome the inhibitory effect of thyroxine treatment on the late phase of glucose-induced insulin release. Thyroxine induces a selective inhibition of glucose induced insulin release which is reversed by pyruvate; this indicates that thyroxine interferes with the glycolysis in the beta cell.
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  • 11
    ISSN: 1432-0428
    Keywords: Rat ; ammonium infusion ; blood ammonia ; glucose metabolism ; plasma immunoreactive insulin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In order to explain the abnormalities of glucose metabolism previously observed in patients with blood ammonia elevation, the effect of a transitory hyperammonemia on I. V. glucose tolerance was investigated in rats. An I. V. glucose tolerance test was performed in 3 groups of 15 rats 60 min after the beginning of a 95 min infusion of either a 2 ml isotonic NaCl solution (control group) or ammonium acetate solutions at low (0.50 μmol/kg/min. NH4+) or high doses (1.70 μmol/kg/min NH4+). The “high” NH4+infusion produced an increase of blood ammonia to levels near 1000 μg/100 ml, a significant decrease in the K coefficient for glucose disappearance (2.53 × 10−2±0.20 compared to 4.92 × 10−2±0.13 in control group) and a suppression of the radioimmunological plasma insulin (I.R.I.) response to glucose. With the “low” NH4 + infusion the hyperammonemia was less pronounced (200–300 μg/100 ml), but the decrease in K(3.02 × 10−2±0.15) and in the first phase of I.R.I, release remained significant. The decrease in glucose disappearance rate could be accounted for by the proportional decrease in insulin secretion. Thus glucose intolerance induced by ammonium acetate infusions may be due to a direct effect of NH4 + on the pancreas. These abnormalities in glucose metabolism depend on the quantity of infused ammonium.
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  • 12
    Electronic Resource
    Electronic Resource
    Springer
    Experimental brain research 23 (1975), S. 157-166 
    ISSN: 1432-1106
    Keywords: Ventrobasal thalamus complex ; Thermosensitivity ; Burstactivity ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Recordings were made of spike-trains from 163 neurons of the rostral part of the ventrobasal thalamus complex of the rat while the temperature of the scrotal skin was altered. The following results were obtained: 55 neurons were nonthermosensitive, 7 neurons cold-sensitive and 101 neurons warm-sensitive. In the case of the warm-sensitive cells a definite discrimination was possible: 61.4% of the neurons altered their firing behavior during peripheral cooling, changing from relatively even spike frequency to burst firing. This change could be induced repeatedly by altering the temperature. 38.6% of the neurons, on the other hand, reacted to cooling by slowing down their frequency. By way of statistical methods the firing patterns of the two response-types were analyzed more precisely and the differences in response to temperature stimuli more exactly defined. Likewise, the spatial distribution of the two response-types of warm-sensitive cells exhibited differences; whereas the cells devoid of burst activity occured rather uniformly in the region of the thalamus studied, the cells with bursting activity were confined more to the mediocaudal region. These findings are discussed with regard to the phenomenon of peripheral bursts and to the projection of thermoafferent pathways onto the ventrobasal thalamus complex. The functional interpretation of the various cell reactions and their role in the central processing of thermoafferent signals still remains unexplained and requires comparative studies of peripheral and central parts of the thermoafferent system.
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  • 13
    Electronic Resource
    Electronic Resource
    Springer
    Experimental brain research 22 (1975), S. 175-183 
    ISSN: 1432-1106
    Keywords: Rat ; Hypoglossal nucleus ; Axotomy ; Subsurface cisterns
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A quantitative ultrastructural survey was made of subsurface cisterns and their association with overlying structures in the left hypoglossal nucleus of normal rats, and rats which had received left hypoglossal axotomies 7–84 days previously. Subsurface cisterns in normal rats occurred in some hypoglossal neurones, and, sporadically, in proximal dendrites. They were mostly subsynaptic, and often associated with Nissl substance. From 7–14 days postoperatively, when many somatic boutons temporarily lost contact with the perikaryal surface, and were replaced by a microglial sheath, the percentage of perikaryon with underlying cistern was significantly reduced. The Nissl substance was also dispersed at this stage, and not restored until 28 days postoperatively. At 21 days normal percentages of subsurface cistern were restored, but the cisterns were now mostly subastrocytic, an astrocytic sheath having replaced the microglial sheath. From 63 days onwards the cisterns were mostly subsynaptic again as boutons returned to the regenerating perikarya and the temporary astrocytic sheath disappeared. It is suggested that subsurface cisterns might alter the overlying perikaryal surface in some way during neuronal regeneration, causing certain boutons to adhere there.
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  • 14
    Electronic Resource
    Electronic Resource
    Springer
    Experimental brain research 22 (1975), S. 525-540 
    ISSN: 1432-1106
    Keywords: Supraoptic nucleus ; Quantitative electron microscopy ; Afferent fiber connections ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A quantitative electron microscopic study of synaptic terminal degeneration was performed in the supraoptic nucleus (NSO) after a variety of major transections or ablations, destroying or interrupting in different combinations the afferent pathways known from earlier and own light microscopic degeneration studies. Solutions of a set of equations, expressing the percentage degenerations in synaptic profiles after different combinations in which the several pathways are interrupted by the various interferences, enabled the authors to give the following percentage numbers for afferent synapses from different sources. 32.7% of supraoptic afferents originate from the brain stem probably representing the monoaminergic innervation of this nucleus. The medial basal hypothalamus (21.0%), amygdala (13.5%), septum (13.5%), hippocampus (8.5%) and olfactory tubercle and further rostral cortical region (17.0%) are the other main sites of origin of supraoptic nucleus afferents. There are no supraoptic afferents from the optic nerve, superior cervical ganglion or fimbria hippocampi.
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  • 15
    Electronic Resource
    Electronic Resource
    Springer
    International archives of occupational and environmental health 34 (1975), S. 167-175 
    ISSN: 1432-1246
    Keywords: N,N-Dimethylformamide ; Embryotoxicity ; Rat ; Inhalation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The purpose of this study, which was conducted for industrial toxicological reasons, was to investigate the possible embryotoxic and teratogenic effects after inhalation of dimethylformamide in rats. In a dynamic inhalation apparatus groups of 22–23 rats were subjected to approx. 18 ppm (maximum allowable concentration in the working area, MAC=20 ppm) and 172 ppm in the air for 6 hrs/day on 10 consecutive days, i.e. from the 6th to 15th day of gestation. The dimethylformamide inhalation did not cause any visible impairment to female rats as regards general behaviour, appearance or weight development during the treatment or the entire gestation period. The gestation rate was unchanged. The development of the fetuses was not influenced in any way by the exposure of the pregnant animals to approx. 18 ppm. In contrast the fetuses taken by caesarean section from the dams exposed to 172 ppm weighed significantly less than the fetuses of the control animals. Skeletal development of these fetuses, however, was normal. All other reproduction parameters were within the normal range for this strain. The study showed that the inhalation of dimethylformamide in concentration up to approx. 10 times the MAC had no teratogenic effect on rats.
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  • 16
    Electronic Resource
    Electronic Resource
    Springer
    Psychopharmacology 44 (1975), S. 287-289 
    ISSN: 1432-2072
    Keywords: Delta-9-tetrahydrocannabinol ; Social behaviour ; Mouse ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract The behavioural effects of delta-9-tetrahydrocannabinol in mice and rats have been studied by an ethological analysis of encounters between animals injected with the drug and partners injected with the solvent (Tween-saline). In both species, Immobility was increased and Non-Social Activity reduced after injections of 5 mg/kg of delta-9-tetrahydrocannabinol. Flight was increased in treated mice but not in treated rats. Aggression was not significantly altered in either species. Thus, in the mouse, the qualitative behavioural effects of delta-9-tetrahydrocannabinol were similar to those previously reported for crude cannabis resin. Comparison of the dose-response data indicated that some other constituents of cannabis may reduce the Flight reaction from delta-9-tetrahydrocannabinol although not interfering with Immobility.
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  • 17
    ISSN: 1432-2013
    Keywords: High Altitude ; Coronary Blood Flow ; Cardiac Output ; Cardiac Hypertrophy ; Rat ; TissueP O 2
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In rats exposed to a simulated high altitude of 3500 m for their whole prenatal and postnatal life a severe cardiac hypertrophy develops. In rats born and first staying 5 weeks at sea level and then being exposed to simulated high altitude, only a unilateral right cardiac hypertrophy occurs. In both groups nutritional coronary blood flow was estimated in left ventricle, right ventricle, and septum and was compared with control animals of similar age. Coronary blood flow was measured at hypoxia in all groups. At first cardiac output was determined by the Fick principle, then86Rb was applied and the animals were killed after 55 sec. Activity of86Rb was measured in both cardiac ventricles and septum and the fractional uptake was calculated. According to Sapirstein (1956, 1958) the distribution of86Rb follows the distribution of cardiac output and from both these data the nutritional blood flow to the parts of the heart may be estimated. Cardiac output was similar in rats exposed to simulated high altitude later in life (“newcomers”) and in control animals, but it was significantly lower in rats born in the low pressure chamber (“natives”). Fractions of cardiac output supplying cardiac ventricles and septum in rats from both hypoxic groups were significantly higher than in control animals. In the “natives” they were significantly higher than in the “newcomers”. The fractions of cardiac output in both “newcomers” and “natives” remained significantly higher than those of the control animals, also when calculated per gram of heart tissue. Nutritional coronary blood flow (in ml/min) was higher in both ventricles and septum of the “newcomers” and in the right ventricle of the “natives”, and lower in the septum of the “natives”, when compared with control animals. Coronary blood flow per gram of heart tissue (in ml/min·g) was significantly higher in all cardiac parts of the “newcomers”, but it was about the same in all cardiac parts of the “natives” when compared with controls. The importance of observed changes concerning myocardial tissue oxygenation is analyzed by using Krogh's cylindrical tissue model.
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  • 18
    Electronic Resource
    Electronic Resource
    Springer
    Pflügers Archiv 357 (1975), S. 201-207 
    ISSN: 1432-2013
    Keywords: Allantoin ; Uricase ; Kidney ; Clearance ; Micropuncture ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Renal excretion of allantoin was measured by tracer techniques. After injection of 2-C14 urate and H3 inulin, clearances of allantoin and inulin were measured and both proximal and distal tubules were micropunctured. In confirmation of earlier results 2-C14 urate injected into an intact animal is very rapidly converted to C14 allantoin: after 15 min more than 90% of urinary tracer is present as allantoin. It was further observed that 1) allantoin clearance is essentially identical with inulin clearance over a wide range of urine flows; 2) no net transport of allantoin occurs in either proximal or distal tubules. Clearly allantoin is handled by the rat kidney like inulin. The total excretion of filtered allantoin unlike that of filtered urate provides an easy and effective mechanism for animals possessing the enzyme uricase to dispose of their purine loads.
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  • 19
    Electronic Resource
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    Springer
    Pflügers Archiv 353 (1975), S. 171-189 
    ISSN: 1432-2013
    Keywords: Enzyme Secretion ; Hormonal Stimulation ; Narcosis ; Pancreas ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary 1. A method for collecting duodenal juice and gastric content separately, in conscious rats, is described. Metal cannulas were implanted into the stomach fundus. For the main experiment a double lumen tube was inserted through the cannula via the pylorus into the duodenum. 2. The following secretion patterns were observed: a) In the resting state there was a constant flow rate of duodenal volume, bicarbonate, trypsin and amylase. b) Cholinergic stimuli were capable of increasing enzyme secretion as much as fourfold for a period of 30 to 40 min when administered as a single subcutaneous injection. This effect was annulled by atropine. c) Secretin and cholecystokinin-pancreozymin given together in a single injection s. c. or i. v., elicited a similarly strong response. d) Identical ranges of the secretion maxima were found with a tendency to decrease after the first hour, when the hormones were infused either s. c. or i. v. e) Doses from 0.5 to 25 U/100 g b. w./hr showed identical responses. Doses below 0.2 U/100 g/hr were without effect. 3. Narcosis (pentobarbital) inhibited markedly the resting and stimulated enzyme secretion. 4. The method is suitable for examination of physiological and pharmacological effects on resting and stimulated enzyme secretion of the rat pancreas.
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  • 20
    Electronic Resource
    Electronic Resource
    Springer
    Pflügers Archiv 353 (1975), S. 215-225 
    ISSN: 1432-2013
    Keywords: Muscle Regeneration ; Muscle Transplantation ; Contractile Properties of Muscle Transplants ; Denervation of Muscle ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The soleus or extensor digitorum longus muscles of young rats were freely grafted into the bed of the corresponding contralateral muscle. The grafts were of normal muscle or muscles which had been denervated for 14 days. Grafts of normal muscle were characterized by little or no contractile activity for the first 2–4 days after transplantation. In contrast, denervated grafts contracted weakly, but consistently, throughout this early period. The patterns of contraction were complex. In early transplants, the contractions were due entirely to surviving muscle fibers in the graft, and the contractile characteristics were those of denervated muscle fibers. After the first week, contractions of newly regenerating muscle fibers within the grafts were superimposed upon and later took over those from the fibers that survived the original transplantation. The contraction time approached those of the normal soleus or extensor muscles during the second month after grafting, and the grafts contracted like fast or slow muscles.
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  • 21
    Electronic Resource
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    Experimental brain research 23 (1975), S. 463-470 
    ISSN: 1432-1106
    Keywords: Rat ; Hypoglossal nucleus ; Axotomy ; Horseradish peroxidase
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The left hypoglossal nuclei of normal rats, and rats which had received left hypoglossal nerve axotomies 7–21 days previously, were studied by electron microscopy after injection of horseradish peroxidase as a marker of extracellular space and pinocytosis. Quantitative analysis showed that the number of pinocytotically-derived structures in presynaptic boutons was significantly increased in rats at 7, 14, and 21 days after axotomy when compared with normal rats. It was suggested that presynaptic boutons which became detached from injured neurones retracted by a membrane cycling mechanism involving pinocytotic uptake of bouton plasmalemma, without compensatory membrane production elsewhere. It was confirmed that the channels in the microglial cells communicated with the extracellular space.
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  • 22
    Electronic Resource
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    Archives of toxicology 34 (1975), S. 309-314 
    ISSN: 1432-0738
    Keywords: Glafenine ; Chloroquine ; 4-Amino-7-chloroquinoline ; Rat ; Glafenin ; Chloroquin ; 4-Amino-7-chlorchinolin ; Ratte
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Bei oraler Zufuhr in einer Dosierung von 150 bis 450 mg/kg 2 Tage hintereinander an etwa 100 g schweren Ratten bewirkt Glafenin eine vorübergehende Nephritis mit Steigerung von Blutharnstoff, Hypertrophie der Nebennieren und Veränderungen des Serumproteinogramms. An die 4-Amino-7-chlorochinolin-Struktur scheinen diese toxischen Wirkungen nicht gebunden zu sein, denn die ähnlichen Derivate, Chloroquin und Amodiaquin, rufen sie in äquimolekulären Dosen nicht hervor. Glycerol, ein im Organismus entstehendes Hydrolysisprodukt des Glafenins, zeigte sich auch wirkungslos. Die Toxicität ist wahrscheinlich auf das Glafenin selbst oder sein saures Abbauprodukt 4-(0-carboxyphenylammo-7-chlorochinolin, zurückzuführen.
    Notes: Abstract When given orally in elevated but nonlethal doses (150 to 450 mg/kg, on 2 consecutive days), glafenine induces in rats (body weight 100 g) a transient nephritis with an increase in blood urea, hypertrophy of adrenals, and some changes in the serum proteinogram. These effects do not appear to be due to the 4-amino-7-chloroquinoline structure from which glafenine is derived, as they are not observed with the structural analogue chloroquine given at equimolar doses under the same conditions. Further, they do not appear to be due to glycerol, the by-product of metabolic glafenine hydrolysis. The responsible molecule appears to be either glafenine itself or its acid metabolite 4-(0-carboxyphenylamino) 7-chloroquinoline.
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  • 23
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    Archives of toxicology 34 (1975), S. 213-225 
    ISSN: 1432-0738
    Keywords: Lead ; Chelating agents ; Toxicity ; Rat ; Blei ; Chelatbildner ; Toxicität ; Ratte
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Die intraperitoneale Verabfolgung von Pb-Acetat führt zu einer mäßigen und vorübergehenden hypochromen Anämie, zu einer lang dauernden erhöhten Ausscheidung der δ-Aminolävulinsäure mit dem Urin, während die Ausscheidung der alkalischen Phosphatase überhaupt nicht und die von Lactatdehydrogenase nur geringfügig beeinflußtwird. Es wird gefolgert, daß weder die hamatologische Reaktion noch die angedeutete Nephrotoxicität für die letale Wirkung von Pb verantwortlich sind. Die Chelattherapie begann 3 Tage nach der letzten Pb-Dosis und erstreckte sich auf 7 Wochen, wobei die intraperitoneale Tages-dosis 25, 50 bzw. 100 μmol/kg betrug. Die Wirksamkeit in bezug auf die Erhöhung der Pb-Ausscheidung mit dem Urin nahm in der Reihenfolge ab: Ca-Diäthylentriaminpentaacetat 〉 2,3-Dimercaptopropan-1-sulfonat 〉 Zn-Diäthylentriaminpentaacetat 〉 D-Penicillamin. Das vermehrt ausgeschiedene Pb stammt im wesentlichen aus dem Skelett. Die Chelatbildner erniedrigten ebenfalls die Ausscheidung der δ-Aminolävulinsäure, erwiesen sich aber als unwirksam, die hämatologische Reaktion und die letale Wirkung von Pb günstig zu beeinflussen. Durch diese negativen Ergebnisse wird der Wert der Chelatbehandlung von Fällen akuter Pb-Vergiftung in Frage gestellt.
    Notes: Abstract The intraperitoneal administration of Pb acetate (5 × 20 mg Pb/kg per day) evokes a moderate and transient hypochromic anemia, a long-lasting enhanced urinary excretion of δ-aminolevulinic acid whereas the urinary excretion of alkaline phosphatase is not affected and that of lactic debyhrogenase only marginally. It is concluded that neither the hematologic response nor the slight nephrotoxicity are responsible for the lethal action of Pb. Chelate treatment started 3 days after the last Pb dose and was continued over 7 weeks. The daily intraperitoneal dose was 25, 50, and 100 μmol/kg, respectively. The efficacy in promoting the urinary excretion of Pb decreased in the following order: Ca diethylenetriaminepentaacetate 〉 2,3-dimercaptopropane-1-sulfonate 〉 Zn diethylenetriaminepentaacetate 〉 D-penicillamine. This effect was mainly due to the mobilization of skeletal Pb. The chelating agents also lowered the excretion of δ-aminolevulinic acid but failed to exert a beneficial influence on the anemia and the lethal action of Pb. These negative results raise questions about the usefulness of chelation therapy in cases of acute Pb poisoning.
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  • 24
    ISSN: 1432-0738
    Keywords: Acrylonitrile ; Phenobarbital ; SKF 525-A ; Dimercaprol (BAL) ; Thiosulfate ; Cyanide-Thiocyanate ; Route of Administration ; Drug Biotransformation ; Rat ; Mouse ; Chinese Hamster ; Acrylonitril ; Phenobarbital ; SKF 525-A ; Dimercaprol (BAL) ; Thiosulfat ; Cyanid ; Thiocyanat ; Applikationsart ; Biotransformation ; Ratte ; Maus ; Chinesischer Hamster
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Wistar Ratten, Standard-Albinomäuse und chinesische Hamster (Weibchen) erhielten eine einmalige Dosis von Acrylonitril, 0,5 oder 0,75 mmol/kg Gewicht. Die Ausscheidung des Thiocyanats, Hauptmetaboliten des Acrylonitrils, wies bei Ratten nach einer oralen (20 %), intraperitonealen und subcutanen (2 bis 5%) und intravenösen (1 %) Applikation einen sinkenden Umwandlungsanteil auf. Auch bei Hamstern und Mäusen rief die orale Verabreichung eine höhere Umwandlung hervor als bei der intraperitonealen Zufuhr. Die Vorbehandlung von Ratten mit Phenobarbital, SKF 525-A, Cystein oder Dimercaptopropanol, hatte keinen signifikanten Einfluß auf die Ausscheidung von Thiocyanat im Harn. Hingegen erhöhte die gleichzeitige Applikation von Thiosulfat bedeutend den Anteil von Thiocyanat, und zwar bei Ratten fast zweifach, bei Mäusen mehr als dreifach. Die Studie bestätigt den ausgeprägten Einfluß der Verteilung (first pass metabolic phenomenon) auf das metabolische Schicksal von Acrylonitril. Anscheinend ist die starke Bindung von Acrylonitril und die Cyanoethylierung für den so markanten Einfluß der Applikationsart verantwortlich. Nach oraler, intraperitonealer und intravenöser Applikation von Acrylonitril wurde dieser bei Mäusen effektiver in Thiocyanat metabolisiert als bei Ratten. Die größere Umwandlung von Acrylonitril in Thiocyanat und die stärkere Senkung seiner akuten Toxicität nach Thiosulfat deuten auf eventuelle Unterschiede im Mechanismus der toxischen Wirkung von Acrylonitril bei Mäusen und Ratten hin. In der Toxicität des Acrylonitrils für Ratten spielt Cyanid anscheinend eine kleine Rolle, wohl aber für Mäuse.
    Notes: Abstract Female Wistar rats, conventional albino mice, and Chinese hamsters were given a single dose of acrylonitrile, 0.5 or 0.75 mM/kg body weight. The elimination in the urine of thiocyanate, which is the main metabolite of acrylonitrile, indicated a decreasing proportion of biotransformation after oral (over 20 %), intraperitoneal, or subcutaneous (2 to 5 %), and intravenous (1 %) administration in rats. Oral administration of acrylonitrile in hamsters and mice was also followed by higher biotransformation than intraperitoneal administration. Pretreatment of rats with phenobarbital, SKF 525 A, cysteine, or dimercaprol did not significantly influence elimination of thiocyanate in the urine after the administration of acrylonitrile, but simultaneous administration of thiosulfate significantly increased the metabolized portion of acrylonitrile given intraperitoneally in rats (almost twice) and mice (more than three times). Acrylonitrile was found to be strongly bound in blood. The study confirmed the marked effect of distribution (first-pass metabolic phenomenon) on the metabolic fate of foreign compounds. The strong acrylonitrile binding and cyanoethylation are apparently responsible for the unusually high influence of the different routes of administration on the metabolic fate of acrylonitrile. Acrylonitrile was more effectively metabolized to thiocyanate in mice than in rats after oral, intraperitoneal, and intravenous administration. A greater response of acrylonitrile to thiocyanate metabolism and a larger decrease in its acute toxicity after thiosulfate in mice than in rats indicate possible differences in the mechanism of acrylonitrile toxicity in these animals. Cyanide apparently plays a minor role in the acrylonitrile toxicity in rats, but may play quite an important one in mice.
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  • 25
    ISSN: 1432-1750
    Keywords: Lung fibrosis ; Rat ; Paraquat ; Lungenfibrose ; Ratte ; Paraquatlunge
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Es wird die Erzeugung einer Lungenfibrose bei Spraque-Dawley-Ratten mittels mehrfacher Injektion von Paraquat intraperitoneal beschrieben. Notwendige Dosierungen, Intervalle zwischen den Injektionen sowie der zeitliche Ablauf der histologischen Veränderungen werden dargelegt.
    Notes: Summary An experimental model of lung fibrosis by multiple i.p. injections of the herbicide Paraquat is described. The schedules, intervals between injections and histological changes are described.
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  • 26
    ISSN: 1432-2072
    Keywords: LSD-25 ; UML ; Acute ; Chronic ; Behaviour ; 5-HT ; Brain ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Successive daily injections of LSD-25 and UML (1-methyl-d-lysergic acid butanolamide) caused progressive depression of brain 5-HT levels in the rat. On the fourth day, the decrease was significant with respect to the highly significant fall observed after a single administration, whereas it had been shown earlier that conditioned behaviour is no longer affected by LSD-25 after 3 days and that simultaneous administration of a single dose of LSD-25 and UML is equally ineffective in this respect. Its depression of 5-HT levels, however, has now been shown to be equal to that of LSD-25 alone at doses that influence conditioned behaviour. The findings indicate that changes in such behaviour are not dependent on brain 5-HT levels and that no link exists between such levels and the psychotomimetic effect of LSD-25 in man.
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  • 27
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    Psychopharmacology 41 (1975), S. 301-304 
    ISSN: 1432-2072
    Keywords: Mescaline ; Anti-Drug Antibody ; Hapten ; Immunopharmacology ; Rabbit ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Antibodies with mescaline binding specificity were raised in rabbits by immunization with conjugates of bovine serum albumin with mescaline or its analogue 3,4,5-trimethoxyphenylacetic acid. Immunized rats were given mescaline and their behavior was compared to that of non-immunized controls.
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  • 28
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    Psychopharmacology 42 (1975), S. 147-152 
    ISSN: 1432-2072
    Keywords: Nicotine ; Selection ; Avoidance Conditioning ; Rat ; Latency ; Freezing
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Rats of both sexes from the genetically selected Roman High Avoidance (RHA), the Roman Low Avoidance (RLA) and the Roman Control (RCA) strains were given one 30-min session of two-way escape-avoidance conditioning (30 trials) in a shuttle box with a buzzer as the conditioned stimulus and shock as the unconditioned stimulus in a factorial design involving three time intervals (0,15 and 30 min) following one subcutaneous injection of saline or of nicotine in five doses (0.05, 0.1, 0.2, 0.4, or 0.8 mg/kg of body weight). Six measures relating to performance were analysed in whole or part. While the number of avoidance responses showed the expected strain differences, no effect of dose or delay interval could be detected. Avoidance and escape latencies and intertriai activity showed some effects of these variables, especially in interaction with sex and strain. Dose determined pre-sessional activity, but its effect was strain dependent. The failure to confirm previous findings is discussed in the context of other instances in the literature, and the results of an operant experiment confirming the continuing sensitivity of the Roman strains to the effects of nicotine are reported.
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  • 29
    ISSN: 1432-2072
    Keywords: p-CPA ; Ethanol ; Pentobarbital ; Tolerance ; Brain 5-HT ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Rats were rendered tolerant to ethanol or pentobarbital by daily oral administration. Motor impairments after test doses of ethanol or pentobarbital were measured prior to and at various times during chronic treatment in order to assess the degree of tolerance development. Chronic administration of p-chlorophenylalanine (p-CPA) in a dosage regimen which produced and maintained approximately 95% depletion of brain serotonin (5-HT) did not alter motor impairment after initial acute administration of ethanol or pentobarbital. However, the rate of tolerance development to the motor-impairing effects of both drugs was slowed down in p-CPA-treated rats. p-CPA did not appear to exert this effect by altering the disposition of ethanol or pentobarbital, since blood levels determined 20 min after administration of the test doses were similar in animals treated with p-CPA and in controls. These findings suggest that brain 5-HT may have a role in tolerance development to ethanol and pentobarbital.
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  • 30
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    Psychopharmacology 42 (1975), S. 231-234 
    ISSN: 1432-2072
    Keywords: Heroin ; Self-Stimulation ; Water Intake ; Food Intake ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Male rats maintained with continuous access to levers for intracranial self-stimulation (ICSS), water, and food were subjected to five consecutive daily injections of heroin (5 mg/kg). Rates of lever pressing for ICSS were increased in 8 rats, 2–6 hrs after administration of heroin. Rates of lever pressing for water and food were not significantly changed during this period. Naloxone (5 mg/kg) pretreatment attenuated by 82% the facilitative effect of heroin on ICSS. A second group of 8 rats maintained at reduced ICSS rates failed to show an increase in lever pressing for ICSS with heroin. The facilitative effect of heroin described in this study is consistent with previously reported studies describing the effects of morphine on ICSS.
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  • 31
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    Psychopharmacology 42 (1975), S. 255-261 
    ISSN: 1432-2072
    Keywords: Methadone ; Mode of Withdrawal ; Body Weight ; Relapse ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Physical dependence on methadone was induced in rats by an initial “forced drinking” procedure and subsequently by i.p. administration of the drug. In a subsequent Experimental Phase of the study the physical dependence of one group was sustained by a “methadone maintenance” treatment, while two other groups were withdrawn from the drug, one gradually and one abruptly. When relapse trials were carried out during a Readdiction Phase it was found that the maintained group voluntarily consumed significantly greater amounts of methadone than did the two withdrawal groups. These groups did not differ between themselves but did in turn ingest significantly more methadone than a control group with no prior exposure to the drug. The characteristic loss of body weight reliably found during withdrawal from morphine was not demonstrated. This may have been due to the unexpected weight loss which occurred during the last stage of the initial Addiction Phase. The dependent variables of amount of methadone solution and the percentage of fluid consumed as methadone solution correlated highly. However the amount of methadone solution ingested was a better indicator of addiction liability as it was not influenced by fluctuations in the amount of water consumed by the animals.
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  • 32
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    Naunyn-Schmiedeberg's archives of pharmacology 288 (1975), S. 109-121 
    ISSN: 1432-1912
    Keywords: Halothane and Nitrous Oxide Anaesthesia ; 5-HT Turn-Over ; Brain ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The effects of anaesthesia with halothane and nitrous oxide on the turn-over of 5-HT in the rat brain were analysed. The rate of 5-HT synthesis was estimated on the basis of 5-HTP accumulation following 5-HTP decarboxylase inhibition. Inhalation anaesthetics reduced the rate of 5-HT synthesis in the whole brain, this effect being particularly marked in the forebrain. In addition, the reduction of the rate of 5-HT synthesis was still detected after a large tryptophan loading indicating that halothane and nitrous oxide anaesthesia reduced the activity of tryptophan hydroxylase in vivo. The utilization of 5-HT was also delayed during anaesthesia since the rate of 5-HT disappearance following the inhibition of its synthesis at the decarboxylation step was decreased in the whole brain. In spite of this reduced turnover of 5-HT in the brain of rats exposed to inhalation anaesthetics, the 5-HIAA levels were permanently elevated. This was the result of a partial inhibition of the active elimination of the acidic metabolite from the brain during this kind of anaesthesia.
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  • 33
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    Naunyn-Schmiedeberg's archives of pharmacology 287 (1975), S. 1-10 
    ISSN: 1432-1912
    Keywords: Dopamine ; Adrenomedullary Hormones ; Synthesis ; Rat ; Adrenals ; Subcellular Distribution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Rats received intravenous injections of3H-tyrosine and were killed at various time intervals thereafter.3H-dopamine (DA) in the adrenals reached a maximum within 1.5 min after the administration of3H-tyrosine. From the 15th min it disappeared with an apparent half life of 90 min.3H-Adrenaline (A) +3H-noradrenaline(NA) increased much more slowly and reached a plateau 120–240 min after the injection. The approximate synthesis rate of adrenal A+NA, calculated from the specific activity curves, ranged from 9.3 to 2.2 nmoles/h per kg b.w. The highest value was noted the first few minutes, the lowest 1–2 hrs after the administration of3H-tyrosine. In some experiments subcellular fractionation of the adrenals was performed. In untreated animals the amount of DA and A+NA recovered from the supernatant fraction was about 10 and 8 per cent, respectively, of the total amount recovered from the supernatant and particulate fractions. In the adrenals of animals receiving3H-tyrosine 3.75 or 60 min beforehand these figures were significantly elevated whereas the DA and A+NA of the particulate fraction did not deviate significantly from control values. The specific activities of3H-DA were the same in the supernatant and particulate fractions within 3.75 min after the injection of3H-tyrosine.
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  • 34
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    Naunyn-Schmiedeberg's archives of pharmacology 288 (1975), S. 147-153 
    ISSN: 1432-1912
    Keywords: Adenylate Cyclase ; Phosphodiesterase ; cAMP ; Gastric Mucosa ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The effects of starvation, feeding and pentagastrin on gastric mucosal adenylate cyclase (AC) and phosphodiesterase (PDE) activity were studied in the rat. 1. Starvation for 24 hrs and 48 hrs reduced both NaF stimulated and basal AC activities. 2. Feeding of starved rats slowly raised the AC activity up to 430% within 4 hrs after feeding. This effect was more pronounced under basal conditions than with NaF stimulation. 3. A single i.p. injection of pentagastrin (125 μg/kg) caused a stimulation of basal AC lasting 45 min, which was followed by a subsequent decrease in the basal and NaF stimulated enzyme activity. 4. PDE activity was not influenced by starvation and feeding but underwent a transient inhibition by pentagastrin. Accordingly gastric mucosal cAMP levels after starvation, feeding and pentagastrin are regulated by changes in AC and not in PDE activity. The rise in AC activity after feeding appears to be related to functions other than H+ and pepsin secretion.
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  • 35
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    Naunyn-Schmiedeberg's archives of pharmacology 288 (1975), S. 185-193 
    ISSN: 1432-1912
    Keywords: Avoidance Acquisition ; Development ; Pimozide ; d-Amphetamine ; Catecholamines ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The acquisition of a conditioned avoidance response (CAR) was investigated in rats of nursing mothers given pimozide 0.5 mg/kg on days 1, 2, 3, 4, 5, 6, and 7 after delivery. Four weeks after birth, the male litter-mates were tested for CAR acquisition in a two-way avoidance situation or for correct CAR acquisition in a brightness discrimination situation. Offspring of mothers treated with pimozide were markedly inferior in the CAR acquisition in both behavioural situations as compared to those of mothers given glucose. The administration of d-amphetamine 15 min prior to the training session specifically counteracted the behavioural impairment obtained in the offspring of pimozide-treated mothers. The results obtained in the present investigation lend further support to the contention that the behavioural deficits in offspring of nursing mothers treated with neuroleptic agents are due to a developmental disturbance in central catecholamine neurones.
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  • 36
    ISSN: 1432-0878
    Keywords: Median eminence ; Rat ; Populations of axonal granules ; Electron microscopy, morphometry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Description / Table of Contents: Zusammenfassung In Fortsetzung einer früheren Arbeit wurde die Eminentia mediana von männlichen und weiblichen Ratten, sowie die trächtiger und durstender Tiere auf die Fragestellung hin untersucht, ob 1. die Eminentia mediana der erste Ort ist, wo die beiden Neurohormone Oxytocin und Vasopressin freigesetzt werden, und 2. ob sich die Axone in der externen Schicht der Eminentia mediana aufgrund der mittleren Durchmesser ihrer Granula in verschiedene Populationen differenzieren lassen. Bei männlichen und weiblichen Kontrolltieren haben die Oxytocin-bzw. Vasopressin-granula in der Eminentia mediana bereits ihre endgültige Größe erreicht; ihr mittlerer Durchmesser ändert sich nicht mehr wesentlich bis zum Hypophysenhinterlappen. Allerdings gibt der unterschiedliche prozentuale Anteil beider Populationen in der Eminentia mediana, in Zusammenhang mit den früher bestimmten Werten für die jeweiligen Kerne und die Neurohypophyse, Hinweise auf gewisse Unterschiede im turnover beider Hormone bei männlichen und weiblichen Tieren. Bei graviden und durstenden Ratten findet sich eine scheinbare Abnahme der Granula Durchmesser in den oxytocin-bzw. vasopressinführenden Axonen. In Verbindung mit sehr charakteristischen morphologischen Befunden, besonders bei langdurstenden Tieren, sprechen die morphometrischen Ergebnisse dafür, daß in der Eminentia mediana bereits Neurohormon freigesetzt wird, wenn eine schnelle Deckung des peripheren Bedarfes notwendig ist. Die Axone mit Granula, die kleiner sind als 115 nm, lassen sich in der internen Schicht der Eminentia mediana aufgrund der mittleren Durchmesser ihrer Granula in vier Populationen aufteilen. Ihre mittleren Granula-Durchmesser liegen bei etwa 84 nm, 96 nm, 103 nm und 110 nm. Dieselben vier Populationen finden sich sowohl in der Zona palisadica als auch in der perikapillären Schicht der Eminentia mediana. Im Unterschied zur Zona interna findet sich aber in diesen beiden Schichten noch eine fünfte Population von Axonen mit einem mittleren Granula-Durchmesser von etwa 70–75 nm. Der mengenmäßige Anteil dieser fünf Populationen aber ist unterschiedlich in der Zona palisadica und in der perikapillären Schicht einerseits und in den verschiedenen Tiergruppen andererseits. Einige morphologische Befunde an den Tanycyten werden im Zusammenhang mit der neueren Literatur diskutiert.
    Notes: Summary In connection with previous studies (Krisch, 1974), a morphologic analysis of the median eminence of male, female, pregnant, and thirsting rats has been made, in order to evaluate: 1. whether the median eminence is an additional area where oxytocin and vasopressin may be released from neurosecretory axons in the zona interna; 2. whether it is possible to distinguish different populations of axons according to the mean diameters of their granules in the external zone of the median eminence. In the zona interna of the male and the female control animals, the oxytocin-and vasopressin-containing granules have already reached their final diameters, i.e. their size remains constant until they reach and are stored in the neurohypophysis. However, the relative proportions of these populations in the fibre layer of the median eminence indicate certain differences between male and female animals, concerning the turnover of oxytocin and vasopressin. In pregnant, as well as in thirsting animals, there is an apparent decrease of the mean granule diameters in oxytocin and vasopressin-containing axons. In particular in the latter group, ballooned axons in the fibre layer of the median eminence, containing disintegrating granules, tubular structures filled with electron dense material, and fine-flocculent material in the axoplasm, together with the morphometric results, support our concept that in case of highly increased peripheral demand the contents of the mature, large granules are released into the axoplasm of the fibre layer in the median eminence. In addition, axons containing granules smaller than 115 nm may be classified into four populations with mean diameters of 84 nm, 96 nm, 103 nm, and 110 nm. The same populations are found in the palisade zone of the median eminence as well as in the pericapillary zone, but in contrast to the zona interna there is a fifth population of axons containing very small granules with a mean diameter of about 70–75 nm. The relative proportions of these five populations differ between the zona palisadica and the pericapillary zone on the one hand and between the experimental groups on the other hand. Some morphological findings concerning the tanycytes are discussed with respect to previously published data.
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  • 37
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    Cell & tissue research 164 (1975), S. 447-456 
    ISSN: 1432-0878
    Keywords: Protein secretion ; Protein synthesis ; Salivary glands ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The effect of pilocarpine and food uptake on the rate of incorporation of [3H]-leucine in vivo was measured by means of quantitative radioautography in three exocrine cells of the rat: the acinar and the granular duct cells of the submandibular and the acinar cells of the parotid gland. The three cell types react differently. The submandibular acinar cells showed a decrease in incorporation rate after pilocarpine administration but not after feeding. The incorporation rate of the granular duct cells of the submandibular gland remains constant after both stimulations. The acinar cells of the parotid gland show an increase in incorporation rate of [3H]-leucine in response to both. The contrast between the submandibular and the parotid gland could also be demonstrated radiobiochemically, the results reflecting the incorporation rates of the acinar cells of both glands, giving no information on the contribution of other cell types. The decrease in incorporation rate of the submandibular gland acinar cells is accompanied by a shift of polyribosomes towards monomers.
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  • 38
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    Cell & tissue research 164 (1975), S. 457-466 
    ISSN: 1432-0878
    Keywords: Protein secretion ; Protein synthesis ; Salivary glands ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary After stimulation of the protein secretion by pilocarpine or feeding the rate of incorporation of [3H]-leucine increases in the acinar cells of the parotid gland of the rat while the secretory cells of the submandibular gland show a moderate decrease (Kuijper et al., 1975b). Since the rate of labelled amino acid incorporation depends on the specific radioactivity of the amino acid used, which is not easy to determine in vivo, experiments in vitro were performed to get an idea of the influence of this factor on the measured changes in [3H]-leucine incorporation. In vitro both cell types showed a more pronounced but essentially identical reaction as in vivo. Since in these experiments the specific radioactivity of the extracellular leucine is the same whether fragments of stimulated or unstimulated glands incorporate the radioactive amino acid, the increase of incorporation in the parotid and the decrease in the submandibular cells cannot be ascribed to differences in specific radioactivity of leucine, unless the intracellular leucine pool should show great differences between secreting and non-secreting cells. However, in vitro the submandibular gland cells under both conditions appear to use the extracellular leucine for their protein synthesis (or a small compartmentalized pool in rapid exchange with the extracellular pool). In the parotid cells the whole intracellular pool showed such a rapid exchange with the extracellular one that for practical reasons one may say that these cells, too, rely on the extracellular specific radioactivity of leucine in their protein synthesis. We conclude that the rat parotid gland cells show a rapid and substantial increase of protein synthesis after stimulation of their enzyme secretion, while the submandibular gland cells do not.
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  • 39
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    Cell & tissue research 164 (1975), S. 435-446 
    ISSN: 1432-0878
    Keywords: Protein secretion ; Protein synthesis ; Salivary glands ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary In untreated, fasting animals the cells of the serous demilunes of the sublingual gland incorporate [3H]-leucine at a higher rate than any other of the 5 main cell types of the 3 major salivary glands. The acinar cells of the submandibular and the mucous cells of the sublingual gland show intermediate values, while the cells of the granular ducts of the submandibular and the acini of the parotid gland have a low rate of incorporation. In fasting animals extrusion of newly synthesized protein starts early in the cells of the serous demilunes. It starts between 4 and 7 hrs after [3H]-leucine injection in the acinar cells of the submandibular gland, while the other cell types did not lose substantial amounts of labelled (glyco)protein within 7 hrs. The secretion of protein is stimulated by the cholinergic drug pilocarpine in all but one of the 5 types of salivary gland cells studied. The acinar cells of the submandibular gland react strongly, the granular duct cells less strongly. Still less are the reactions of the acinar cells of the parotid and of the mucous cells of the sublingual gland. The cells of the serous demilunes of the latter appear to be insensible to pilocarpine. The effect of food uptake on secretion does not differ from pilocarpine stimulation, with one exception: the acinar cells of the parotid gland react more strongly on food uptake than on cholinergic stimulation.
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  • 40
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    Cell & tissue research 163 (1975), S. 249-262 
    ISSN: 1432-0878
    Keywords: Superior cervical ganglion ; Rat ; Catecholamines ; p-Chlorophenylalanine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Ganglion cells and paraganglionic (PG) cells in the developing rat superior cervical ganglion were studied following postnatal treatment with p-chlorophenylalanine (pCPA) for 5 to 8 days. Litter mates, injected with saline solution, served as controls. Ganglion cells of control animals were differentiated ultrastructurally according to L. Eränkö (1972 a) into late sympathicoblasts and young sympathetic nerve cells. In both maturation stages treatment with pCPA caused marked swelling of mitochondria, concomitant with minor changes of other cell organelles. Parallel to the ultrastructural alterations, fluorescence microscopy and cytophotometry revealed a slight diminution of diffuse fluorescence intensity in sympathetic neurons as the expression of a mainly extragranular amine depletion. In distinction from ganglion blocking agents the alterations are regarded as a general toxic effect of pCPA upon maturing sympathetic neurons, which secondarily influences catecholamine storage sites. Following treatment with pCPA, in PG-cells an alteration of mitochondria was scarcely to recognize. Specific granules were distinctly decreased in number, in some cases to an almost complete degree. Concordant to ultrastructural observations a marked diminution of fluorescence intensity was demonstrable in SIF-cells. In addition in these elements the fluorescence spectrum shifted towards the green field. Fluorescence cytophotometric evaluations confirmed the optical impression. Provided, that PG-cells, demonstrated with electron microscopy, are identical with SIF-cells in fluorescence microscopy, the results are discussed on the basis of a specific decrease of primary catecholamines due to an enzyme inhibition involved in catecholamine synthesis.
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  • 41
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    Cell & tissue research 161 (1975), S. 183-191 
    ISSN: 1432-0878
    Keywords: Hypothalamus ; Pituitary ; Rat ; Localization of 3H-dexamethasone ; Radioautography
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The central nervous system and the pituitary of adrenalectomized male rats injected with 3H-dexamethasone were examined by radioautography. At 1 hr after the injection, radioactivity concentration was high in the medial basal hypothalamus, the pituitary and the pineal gland. In the hypothalamus, radioactive material was found to be selectively concentrated in neurons in the ventral part of nucleus arcuatus and in the infundibular region. In the anterior pituitary, a large proportion of cells showed silver grains both in the cytoplasm and over the cell nuclei. However, in a small number of cells, the radioactive material was associated with the cell nuclei. Less radioactivity was present in the intermediate and posterior lobes. The pineal gland contained more silver grains than did other regions of the brain. The results obtained in the present study suggest essentially an action of dexamethasone in the medial basal hypothalamus and at the level of the pituitary.
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  • 42
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    Cell & tissue research 158 (1975), S. 281-283 
    ISSN: 1432-0878
    Keywords: Glycocalyx ; Urinary bladder ; Ruthenium red ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Earlier statements to the contrary, the present study demonstrates the presence of a cell surface coat (glycocalyx) on the luminal plasma membrane of the super ficial transitional epithelial cells lining the urinary bladder of male Buffalo rats. This coat was demonstrated with ruthenium red, an electron dense stain, which revealed a surface layer, 60–80 Å thick, separated from the outer leaflet of the plasma membrane by an electron lucent layer, approximately 30 Å thick. The structure of the glycocalyx was not affected by 12 weeks of treatment with dibutylnitrosamine, a known bladder carcinogen.
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  • 43
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    Cell & tissue research 159 (1975), S. 49-62 
    ISSN: 1432-0878
    Keywords: Autonomic ganglia ; Pelvic plexus ; SIF cells ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary To further evaluate the role of autonomic ganglia in the regulation of pelvic visceral activity, the neural elements in the major pelvic ganglion of the male rat have been studied with histochemical and electron microscopic techniques. The principal findings are that the ganglion is composed of cholinergic and adrenergic ganglion cells as well as small intensely fluorescent (SIF) cells. Polarity in the ganglion is indicated by clustering of small ganglion cells which stain intensely for acetylcholinesterase (AChE) along the pelvic nerve while larger cells, with weak to moderate AChE activity, collect near small branches of the hypogastric nerve. Some cholinergic ganglion cells are enclosed by a plexus of adrenergic terminals. SIF cells appear to be in contact with both cholinergic and adrenergic cells, although many of the fluorescent beads around adrenergic neurons may be short dendrites of ganglion cells, rather than processes of SIF cells. Two types of SIF cells may be distinguished on the basis of size and morphology of their granulated vesicles. Afferent synapses of the cholinergic type were common on SIF cells of the large granule and small granule type. Portions of SIF cells with large granules occur within the capsule of ganglion cells. Contacts seen here were interpreted as efferent synapses from SIF cells to the dendrites of ganglion cells.
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  • 44
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    Cell & tissue research 156 (1975), S. 377-380 
    ISSN: 1432-0878
    Keywords: Vasopressin-neurophysin neurons ; Suprachiasmatic nuclei ; Immunoenzyme histochemistry ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Immuno-enzyme histochemical investigations on the hypothalamus of the normal rat showed (1) that the Suprachiasmatic nuclei produce vasopressin; (2) that it is highly probable that these nuclei do not produce oxytocin. From the present and previous investigations it may be concluded that the Suprachiasmatic neurons produce a vasopressin-neurophysin complex.
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  • 45
    ISSN: 1432-0878
    Keywords: Adenohypophysis ; Rat ; L-dopa ; Fluorescence histochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The uptake of L-dopa into the cells of the adenohypophysis of the rat was studied during the postnatal development and at adult age using the formaldehyde-induced fluorescence method (FIF). The cells taking up L-dopa were classified by Alcian blue-PAS-Orange G staining. The correlation between the cells taking up L-dopa and those containing tryptophyl-peptide was estimated during the postnatal period and in adult rats. The cells containing tryptophyl-peptide were demonstrated using fluorescence induced by treatment with combined formaldehyde and acetyl chloride vapour. The following observations were made: 1) Great majority of the cells taking up L-dopa did not contain tryptophyl-peptide. Thus the accumulation of L-dopa into the cells of pars distalis is not due to accumulation of L-dopa into the cells by the same transport mechanism as the amino acids for tryptophyl-peptide. 2) Of the cells taking up L-dopa in the adult rats 96% were chromophobes, 2.0% acidophilic cells (somatotrophs and cells producing prolactin), 0.9% R-mucoid cells (corticotrophs), and 1.2% S1- and S2-mucoid cells (gonadotrophs and thyrotrophs). At 10 and 25 days' age the relative numbers of the cells taking up L-dopa were about the same. 3) Pretreatment with nialamide caused only a slight increase in the number of the cells taking up L-dopa. The decrease in the number of the cells uptaking L-dopa of the pars distalis, which takes place after 5 weeks' age is thus not caused by the increased MAO-activity. 4) Strongly chromophilic cells did not take up L-dopa. At the light of our results it seems evident that L-dopa is taken up by the chromophobic cells when these differentiate into chromophilic cells. The accumulation of L-dopa may be a sign of an active transport of amino acids into the cells. The accumulation of L-dopa into the chromophobic stellate and follicular cells may reflect their metabolic activity. These cells probably have an important role in the production of the hormones of the pars distalis.
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  • 46
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    International Journal of Quantum Chemistry 9 (1975), S. 1-8 
    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 a calculation of the static quadrupole polarizabilities and the shielding factors of the atoms and ions of the 2p open shell systems is presented. A fully coupled Hartree-Fock method using the Roothaan formalism is adopted. Calculations have been done for the ground as well as for some valence excited states. An antishielding effect is observed for all the atoms and ions under study.
    Additional Material: 1 Ill.
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  • 47
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    International Journal of Quantum Chemistry 9 (1975), S. 67-74 
    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 integral transform function: \documentclass{article}\pagestyle{empty}\begin{document}$$ {\rm exp }\left({{\rm - }\zeta {\rm r}} \right)\int_0^\infty {s(n)r^n dn} $$\end{document} where s(n) is a positive definite shape function, is proposed and investigated. A test on H2+ shows that it does not suffer from the inadequacies of earlier integral transform functions, of the form: \documentclass{article}\pagestyle{empty}\begin{document}$$ r^n \int_0^\infty {c(\zeta ){\rm exp}({{-}\xi r})d\zeta } $$\end{document} where c(ζ) is a positive definite shape function.
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  • 48
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    International Journal of Quantum Chemistry 9 (1975), S. 103-117 
    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: Weyl's eigenvalue theory for ordinary second-order differential equations is discussed for the case of a continuous spectrum. It is demonstrated that the spectral density function obtained from a suitably averaged Green's function, equal to the Weinstein function, can be directly related to the Weyl-Titchmarsh m-function. The explicit connections with scattering theory are derived and it is found that the Weyl and Jost solutions are proportional; the proportionality factor being the reciprocal value of the latter at the origin. The physical interpretation of the complex poles of the spectral density is discussed in relation to Gamow's exponentially growing functions. The advantage of using a formulation that allows for a “perturbation” of boundary conditions is pointed out.
    Additional Material: 4 Ill.
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  • 49
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    International Journal of Quantum Chemistry 9 (1975), S. 149-156 
    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: Combined CI-HY method techniques have been employed in obtaining a 57-term CI-HY wave function with an energy of -14.66632 a.u. A method due to Brown has been adopted for obtaining this wave function and various shorter expansions. A 44-term expansion with an energy of -14.66606 a.u. is analyzed in terms of various pair effects, and qualitative arguments are presented for understanding these effects.
    Additional Material: 2 Tab.
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  • 50
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    International Journal of Quantum Chemistry 9 (1975), S. 229-236 
    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: Mø-Plesset theory, in which electron correlation energy is calculated by perturbation techniques, is used in second order to calculate energies of the ground states of atoms up to neon. The unrestricted Hartree-Fock (UHF) Hamiltonian is used as the unperturbed system and the technique is then described as unrestricted Mø-Plesset to second order (UMP2). Use of large Gaussian basis sets suggests that the limiting UMP2 energies with a complete basis of s, p, and d functions account for 75-84% of the correlation energy. Preliminary estimates of the contributions of basis functions with higher angular quantum numbers indicate that full UMP2 limits give even more accurate total energies.
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  • 51
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    International Journal of Quantum Chemistry 9 (1975), S. 789-795 
    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 smooth interpolation method for the calculation of Fourier transforms of numerical atomic orbitals is presented and the method is used to calculate two-center overlap integrals. Examples applying various definitions of smoothness are given.
    Additional Material: 3 Tab.
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  • 52
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    International Journal of Quantum Chemistry 9 (1975), S. 825-834 
    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 general variational principle for transition and density matrices is proposed. The principle is closely related to Rowe's variational treatment of the equations-of-motion method. It permits the simultaneous construction of coupled approximations for two eigenstates, and it is a straightforward extension of the usual variational method.
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  • 53
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    International Journal of Quantum Chemistry 9 (1975), S. 887-900 
    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 we discuss an extension of the standard multiple scattered wave method for molecular electronic structure calculations to the case of arbitrarily shaped molecules. A general theory is presented where the difficulties arising from the matching problem across an arbitrary boundary are avoided. The secular equation to determine the energy spectrum is obtained and the wave functions are calculated in all regions.
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  • 54
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    International Journal of Quantum Chemistry 9 (1975) 
    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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  • 55
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    International Journal of Quantum Chemistry 9 (1975), S. 969-973 
    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: Reformulation, generalization, and application of Löwdin's symmetric orthonormalization, of orthogonalization of two sets of vectors, and of McWeeny's variational method of a density matrix, etc., by means of an operator for forming ket vectors on which are imposed some conditions, are presented.
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  • 56
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    International Journal of Quantum Chemistry 9 (1975), S. 1055-1067 
    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: Analytical formulas are derived for integrals of the orbit-orbit operator in the Breit-Pauli Hamiltonian. The present method differs from an earlier one in the introduction of a new auxiliary function Gn(a) which is an integral of Shavitt's Fm(t) function. A method for its evaluation is discussed and some numerical examples are given.
    Additional Material: 2 Ill.
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  • 57
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    International Journal of Quantum Chemistry 9 (1975), S. 1109-1112 
    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 method is presented for obtaining the spin eigenfunctions of 2n electron systems in the spin state S and MS = 0. Using a modified Young operator the function for the state S, MS ( = S) of the system is first projected out. The projected function is then symmetrized over the last n particles and the weight lowering operator Š-S is then applied to it, resulting in a projection of the state S, 0. To within a multiplicative factor, the resulting function is identical with the one resulting from the vector coupling methods.
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  • 58
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    International Journal of Quantum Chemistry 9 (1975), S. 379-381 
    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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  • 59
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    International Journal of Quantum Chemistry 9 (1975), S. 385-392 
    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 communication we discuss a method of incorporating corrections to the coupled Hartree-Fock (CHF) formalism by introducing the so-called “rearrangement effect.” In this we take account of the relaxation of the core orbitals when excitations from a starting Hartree-Fock wave function occur. The magnitude of this correction numerically is found to be quite significant for the polarizabilities of two-electron atomic systems, results for which are reported.
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  • 60
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    International Journal of Quantum Chemistry 9 (1975), S. 431-443 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A perturbation approach based on resolvent technique and Padé approximants is proposed. The eigenvalue of interest is part of a solution of two nonlinear algebraic equations. The nonlinear equations are arrived at by considering two different expression of the expectation value of the resolvent of an outer projection of the Hamiltonian. The first expression is based on the spectral resolution of the resolvent, and the second one is obtained by a power series expansion analogous to that applied in the derivation of the energy expression in the Brillouin-Wigner perturbation theory. The truncated power series is extrapolated by Padé approximants of type II. The method is tested on a CI calculation of the energy of the lowest 1Σ state of the B2 molecule.
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  • 61
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    International Journal of Quantum Chemistry 9 (1975), S. 479-487 
    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: Complementary variational functionals are derived which impose upper and lower bounds on transition probabilities. These functionals are used to yield bounds in terms of sets of sum rules, and illustrative calculations are presented for hydrogen, helium and krypton atoms.
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  • 62
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    International Journal of Quantum Chemistry 9 (1975), S. 505-516 
    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: Dynamical screening in π-electron systems is studied by the equations of motion method. By using a partitioning technique on the equations of motion we can obtain simple expressions for the effect of dynamical screening directly on the transition energies and transition moments in π-electron systems. These results are used to study the effect of such screening in the N → V transition in ethylene. This procedure can be used to extend the equations-of-motion method to larger π-electron systems.
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  • 63
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    International Journal of Quantum Chemistry 9 (1975), S. 557-557 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 64
    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 report an attempt of ab initio computation for the ground-state wave-function of a few organic semiconductors (namely TCNQ salts and the PDC charge transfer complex) for which we show that electrical conduction appears to look strongly like that of a band-gap semiconductor.
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  • 65
    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: Some applications of an optimization technique due to Levenberg in theoretical submolecular biology are described. This technique has proved a very useful tool for the generation of three-dimensional structures of molecules having cyclic components or other constrained regions. The generated molecular structures provide the starting point for quantum chemical calculations of great value in solving problems of biological interest. The mechanism of transport of alkali metal cations by valinomycin is one such example and this paper describes briefly how various conformations of valinomycin were obtained using the optimization technique. A variant of the same method has been suggested as a new technique for the detection of topographical similarities between apparently dissimilar molecules which are substrates for the same enzyme or receptor site. The technique is illustrated with a comparison of a tricyclic antidepressant with norepinephrine both of which have been postulated to compete for a common receptor site in the “amine pump” of peripheral adrenergic nerve cell membranes. Another area in which the optimization technique has proved useful is in developing an optimum separable localized bond function method designed for rigorous calculations on large saturated molecules. This method is briefly described.
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  • 66
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    International Journal of Quantum Chemistry 9 (1975), S. 459-471 
    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: Ab initio SCF-LCAO-MO calculations have been performed for TCNQ and its positive and negative ions in various electronic states. A basis set consisting of 412 primitive Gaussian type orbitals contracted to 180 was used in the investigation. The electron density distribution in TCNQ and the negative ions, and the redistribution upon ionization has been illustrated by plotting difference density contour maps. The quinone structure of the neutral TCNQ system undergoes a transformation to a benzenoid structure when electrons are added. Electronic transitions, ionization potentials and electron affinities have also been calculated.
    Additional Material: 7 Ill.
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  • 67
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    International Journal of Quantum Chemistry 9 (1975), S. 517-526 
    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 extended Hartree-Fock equations of the spin-projected scheme are derived in a form suitable for the construction of a surely convergent method of solution using successive optimization of the individual orbitals. The derivation is based on a specific form of the generalized Brillouin theorem.
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  • 68
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    International Journal of Quantum Chemistry 9 (1975), S. 1113-1129 
    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: Valence-bond type wavefunctions based on contracted Gaussian atomic orbitals afford an adequate description of the potential of the ground 1Σg+ state of H2 for a wide range of internuclear separations. Semiempirical techniques for scaling the potential curve are evaluated. An efficient method for optimizing non-linear variables in the wavefunctions is explored.
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  • 69
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    International Journal of Quantum Chemistry 9 (1975), S. 325-377 
    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 theoretical study is made of the states of nonrigid molecules, extending earlier work to apply Longuet-Higgins' symmetry group of feasible permutation/inversions in two previously untreated cases. The first involves nonrigid molecule processes between different stereoisomers, that is between molecular equilibrium configurations of different geometrical shapes. The second takes into account nonrigid molecule processes in linear molecules. The theory is applied to the specific case of nonrigid molecule effects in the butyl ion C4H9+ (case i), and the form of the nonrigid molecule energy levels and spectra are determined. The theory is also applied to determine the nonrigid molecule energy levels in linear H2F2 (case ii).
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  • 70
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    International Journal of Quantum Chemistry 9 (1975), S. 495-504 
    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 we include the rearrangement correction (discussed in the preceding paper) in a coupled Hartree-Fock (CHF) calculation of atomic hyperpolarizabilities and other related properties. We have studied the effect of these corrections on properties like electric dipole hyperpolarizabilities, uniform electric field quadrupole polarizabilities and shielding factors in two-electron ions and have noticed significant changes in the computed values over the CHF results.
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  • 71
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    International Journal of Quantum Chemistry 9 (1975), S. 555-555 
    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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  • 72
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    International Journal of Quantum Chemistry 9 (1975), S. 545-554 
    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 introduce here a new partitioning of the Hamiltonian in calculating pair-correlation energies using many-body perturbation theory, by which we are able to eliminate the off-diagonal particle-hole (p-h) ladders exactly to all orders in the perturbation expansion. In this formulation, the particle states turn out to be different for each distinct pair of hole states in the correlation energy calculation. We have also included the contributions of the diagonal particle-particle (p-p) and hole-hole ladders exactly to all orders. The effect of the off-diagonal p-p ladders has been estimated for each pair by computing the third-, foruth- and fifth-order energies. For highly symmetric systems the present partitioning yields in general symmetry-broken orbitals. Here one may use an average kind of partitioning for all the partners of the degenerate sets, which restores the symmetry and at the same time ensures cancellation of the p-h ladders exactly at the lowest order and approximately at the higher orders. Results are presented for a selection of 6π-electron conjugated systems. The correlation energy for each pair is in excellent agreement with that obtained from a partial CI calculation involving all double excitations from this pair. The advantages of implementing the present scheme in larger systems has been discussed.
    Additional Material: 6 Ill.
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  • 73
    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 self-correlated field method is based on the insertion in the group product wave function of pair functions built upon a set of correlated “local” functions and of “nonlocal” functions. This work is an application to three-electron systems. The effects of the outer electron on the inner pair are studied. The total electronic energy and some intermediary results such as pair energies, Coulomb and exchange “correlated” integrals, are given. The results are always better than those given by conventional SCF computations and reach the same level of accuracy as those given by more laborious methods used in correlation studies.
    Additional Material: 4 Tab.
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  • 74
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    International Journal of Quantum Chemistry 9 (1975), S. 669-681 
    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 modification of the concept of “seniority” for the classification of the permitted terms and the effective operators in complexes and molecules is presented. Tables of the states of complexes of impurity orbital nondegenerate ions (N = 3, 4) with spin S (\documentclass{article}\pagestyle{empty}\begin{document}$ S = \frac{1}{2} - \frac{7}{2} $\end{document}) and the corresponding tensorial operators are given.
    Additional Material: 6 Tab.
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  • 75
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    International Journal of Quantum Chemistry 9 (1975), S. 711-719 
    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 first few terms of the perturbation expansions for the function and the energy shift of a degenerate state of an arbitrary quantum mechanical system are obtained using the adiabatic formula. It is shown how the expansion for the secular operator may be obtained from the expansion for the function. The results are used to calculate energies of the ground and some excited states and multiplet splittings of some beryllium-like ions.
    Additional Material: 2 Tab.
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  • 76
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    International Journal of Quantum Chemistry 9 (1975) 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 77
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    International Journal of Quantum Chemistry 9 (1975), S. 583-604 
    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: Recent advances in the statistical exchange approximation to the one-electron potential and in the use of general potentials in multiple scattering are studied numerically and combined in a cellular multiple scattering calculation of the electronic structure of molecules. The particular examples of these calculations are SF6, H2+, and H2, the results being compared with those of previous approximations and other techniques. It is first seen that the Xαβ approximation or a similar one based on the use of a universal parametrization of the statistical exchange (and some effects of correlation) part of the potential will provide the maximum of freedom in the partition of the real space of the molecules into cells. This avoids arbitrariness in the assumed value of the parameters to be used in every cell. The usefulness of the Xαβ approximation in a muffin-tin and in a cellular calculation is discussed. It is also found that the usual limitation to muffin-tin-like potentials, while simpler as a first approximation, can be removed without unduly increasing the computing effort. However, an accurate evaluation of the real self-consistent potential in each cell (or even in a muffin-tin) will increase the length of the program, the storage necessities and the computing time by a factor estimated to be between three and ten according to the geometry considered. It is concluded that the cellular multiple scattering method offers the best possibilities for a systematic use of multiple scattering techniques in molecular calculations.
    Additional Material: 7 Ill.
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  • 78
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    International Journal of Quantum Chemistry 9 (1975), S. 605-625 
    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: Electronic structure and collective excitations of long molecules with conjugated bonds in the main chain (linear polyene, cyclic polyene, polyphenylacetylene (PPA)) are considered. The electronic structure of these polymers is investigated by the generalized Hartree-Fock method. The first triplet collective excitations are derived using the compact technique of the Green's functions. This approach is shown to be equivalent to the random phase approximation. The problem of the triplet collective excitations in long cyclic polyenes is solved analytically and good agreement with the exact results is found. The effects of the free ends in a linear polyene are considered. The approach developed for PPA and polyene may be applied to an investigation of any polymer molecule with equivalent unit cells.
    Additional Material: 5 Ill.
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  • 79
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    International Journal of Quantum Chemistry 9 (1975), S. 657-668 
    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 concept of a “multi-centered plethysm” for multinuclear problems is defined and studied. Schemes of links of atoms in molecules or complexes and corresponding schemes of the group reductions are considered.
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  • 80
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    International Journal of Quantum Chemistry 9 (1975), S. 701-710 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Three different forms of perturbation theories, variational perturbation, finite perturbation and second-order, are evaluated regarding their value for calculation of electronic polarizabilities of small and intermediate size molecules. It is concluded that with the practical constraint of a small basis set the variational perturbation method is the most promising alternative for calculation of polarizabilities. For several small molecules, our calculated polarizabilities indicate that both IEHT and ab initio wave functions give values in close agreement with each other. Variational perturbation calculations of polarizabilities with IEHT wave functions also include the DNA bases.
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  • 81
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    International Journal of Quantum Chemistry 9 (1975), S. 755-757 
    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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  • 82
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    International Journal of Quantum Chemistry 9 (1975), S. 761-773 
    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: All the second-order density matrix spin components for the spin-projected Slater determinant are presented as expansions in direct products of powers of unprojected spin- and residual electron density matrices. Spin components of the second-order transition density matrices between spin-projected Slater determinants built of orthogonal orbitals are also obtained.
    Additional Material: 2 Tab.
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  • 83
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    International Journal of Quantum Chemistry 9 (1975), S. 287-299 
    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 order to test the effect of a removal of an “equivalence” restriction, some excited states of B, C+ and C arising from the configuration 1s22s2pn (n = 2, 3) are calculated by the use of a one-diffuse-electron model with the optimal spin coupling (DO), in which the freedom of the spin coupling is fully used. The configuration employed is 1s22s2pn-12p′ (n = 2, 3).The DO method gives a good agreement with the term energies especially for boron (4P → 2P) and carbon (5S° → 3S°). A diffuse 3p natural orbital with a large occupation number is found for boron 2P and carbon 3S° by DO. This result is confirmed by configuration interaction calculations.Using the same configuration as above, we also examine a one-diffuse-electron model with a fixed spin coupling for boron. This method almost reproduces the results of restricted Hartree-Fock and the effect of a removal of an “equivalence” restriction is not found.The importance of utilizing the freedom of the spin coupling in a one-diffuse-electron model is strongly indicated in this article.
    Additional Material: 3 Ill.
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  • 84
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    International Journal of Quantum Chemistry 9 (1975), S. 855-870 
    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 comprehensive review of the attempts to rephrase molecular quantum mechanics in terms of the particle density operator and the current density or phase density operator is given. All pertinent investigations which have come to our attention suffer from severe mathematical inconsistencies and are not adequate to the few-body problem of quantum chemistry. The origin of the failure of these attempts is investigated and it is shown that a realization of a local quantum field theory of molecular matter in terms of observables would presuppose the solution of many highly nontrivial mathematical problems.
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  • 85
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    International Journal of Quantum Chemistry 9 (1975), S. 901-916 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We present a method for calculating the one-particle Green's function for molecules. The scheme is essentially that proposed by Schneider and Taylor [1]. The Green's function is obtained through the Dyson equation. Closed expressions result by using the functional derivation technique to truncate an infinite set of coupled equations. A physical interpretation of the approximation is given and a connection with the equations-of-motion method is pointed out. In a numerical application the ionization potentials are obtained for the molecules N2, H2O, NH3 and CH4.
    Additional Material: 2 Ill.
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  • 86
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    International Journal of Quantum Chemistry 9 (1975), S. 923-940 
    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: Results of semiempirical calculations (CNDO/2-FK and MINDO/2 methods) for the σ-π complex problem on protonated benzene are given and compared with previous ones. The semiempirical methods were chosen according to the agreement of their results with new theoretical energy data (EHF + Ekorrel) concerning the classical-nonclassical problem of protonated ethylene. By these methods the corresponding part of the energy surface of the benzene/H+ system is simulated. The stationary points of this surface are found by a gradient method with complete optimization of the geometry. On the basis of this method we determined the energy profile of a reaction coordinate between the classical (σ-complex) and nonclassical (π-complex) cation. The so called strong π-complex is a saddle point between two σ-complex minima and can be interpreted as transition state of 1,2-proton shifts. Hypotheses for possible minimum energy paths of electrophilic attacks in the given region of the surface are discussed.
    Additional Material: 5 Ill.
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  • 87
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    International Journal of Quantum Chemistry 9 (1975), S. 975-980 
    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 convergence behavior of an iterative procedure proposed by Frost, Kellogg, and Curtis for solution of variance minimization equations is discussed. Use of particular sets of initial parameters in the iterative procedure is shown to yield rapid convergence.
    Additional Material: 3 Ill.
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  • 88
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    International Journal of Quantum Chemistry 9 (1975), S. 1021-1031 
    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 technique within the Extended Hückel frame-work for the calculation of the hydrogen-molecule interaction energy is described. The procedure is ten times faster than the usual diagonalization procedure.The algorithm consists of transforming the generalized secular equation to give a bordered-diagonal matrix secular equation, which is solved by means of an efficient bisection technique.As an example, two problems are discussed: (i) glycine intra-molecular proton transfer process; (ii) interaction of the molecular fragments CH and OH.An atomic SCF Gaussian basis set was used instead of the usual Slater type basis set.
    Additional Material: 4 Ill.
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  • 89
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    International Journal of Quantum Chemistry 9 (1975), S. 1069-1085 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Using the variational method advanced by McCavert and Rudge, we obtain the independent particle model variational principle for loge localized discontinuous wave functions. The transformation of the variational expressions into matrix form when the loge localized discontinuous orbitals are expanded in finite basis sets is discussed. The simplifications brought about by this new method in the evaluation of molecular integrals are indicated.
    Additional Material: 1 Ill.
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  • 90
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    International Journal of Quantum Chemistry 9 (1975) 
    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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  • 91
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    International Journal of Quantum Chemistry 9 (1975), S. 215-227 
    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 calculated the energies of the (7s) and (8s) states of the valence electron in the K atom by making use of a pseudopotential based on recently obtained variational solutions of the Thomas-Fermi (TF) equation for neutral atoms, and positive ions. We have chosen trial wave functions, with appropriate parameters, for the valence electron and then minimized the energies of the respective states using the pseudoHamiltonian. The exchange interaction between the K+ core and the valence electron has also been considered as a perturbation. Comparison of the calculated (7s) and (8s) energies with the experimental values shows an agreement of about 6% for the former one and of about 5% for the latter one, respectively. With the exchange correction both of these discrepancies are reduced to less than 2%. We conclude that the procedure outlined here is a promising one in dealing with problems involving a highly excited electron outside of a closed-shell ion core, a system for which a more exact quantum-mechanical treatment would be much more difficult.
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  • 92
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    International Journal of Quantum Chemistry 9 (1975), S. 537-544 
    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: Spin-orbit interactions among the ground and the first few excited electronic states of SO2, are computed with ab initio molecular wave functions and Gaussian atomic orbitals. All spin-other orbits contributions to the matrix elements are included.The computed intensity of the first singlet-triplet transition is found to be in broad agreement with experiment and sensitive to an extension of the configuration interaction expansion of molecular wave functions. Also, the splitting of sulfur LII,III states in SO2 is derived as an example of large spin-orbit interactions among electronic states.
    Additional Material: 4 Tab.
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  • 93
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    International Journal of Quantum Chemistry 9 (1975), S. 561-581 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Using the super-secular equation, as defined by Löwdin, this study gives a numerical illustration of the difficulties involved in the solution of the Schrödinger equation with approximate linear dependence in the basis set. The harmonic oscillator is chosen as the model problem and the main part of the study is made for Gaussians as basis set. For comparison some calculations are also reported for another basis set, exponentials. The results show that, with the numerical precision available on present computers, the numerical accuracy for the calculated eigenvalues is critically small also for rather small orders of the basis set - and that the accuracy decreases rapidly with increasing order.
    Additional Material: 6 Ill.
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  • 94
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    International Journal of Quantum Chemistry 9 (1975), S. 635-647 
    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: Formulas are derived for all Hamiltonian integrals required for molecular computations using a novel basis for single-center expansions. The basis orbitals depend exponentially upon α(r - ρ)2 where r and ρ are the distance from center to electron and to a variationally scaled spherical shell, respectively. Comparisons are made between these so-called Gaussian shell orbitals (GSO) and the conventional GTO and STO bases for single-center calculations. A preliminary comparison on H2+ using a single GSO, a non-integer STO, and a GTO gives the optimized energies: -0.51089 a.u., -0.50504 a.u., and -0.50422 a.u., respectively.
    Additional Material: 1 Tab.
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  • 95
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    International Journal of Quantum Chemistry 9 (1975), S. 683-689 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Using the method of alternant molecular orbitals (AMO) it is shown that the energies of AMO's (Ek), for any alternant homonuclear molecule having a singlet ground state, are connected with the energies of the MO's (ek) obtained by the conventional Hartree-Fock (HF) method by the formula \documentclass{article}\pagestyle{empty}\begin{document}$ E_{k\alpha (\beta )} = \pm \sqrt {\Delta ^2 + e_k ^2 } $\end{document}, where Δ is the correlation correction. The formula is applicable in the semiempirical LCAO form used in the Pariser-Parr-Pople theory, by Hubbard's approximation of γ integrals.
    Additional Material: 2 Tab.
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  • 96
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    International Journal of Quantum Chemistry 9 (1975), S. 721-741 
    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 treating the configuration n0l04l0+2n1lNn2l by means of nonorthogonal radial orbitals is described. The expressions for the matrix elements of the nonrelativistic Hamiltonian are deduced. A table that enables one to obtain these expressions in terms of radial integrals for l = 0 and 1 are given. Numerical calculations are performed for the configuration 1s22s22p3p using generalized hydrogen-like radial orbitals. The numerical values of the inter-term energy differences are given and discussed.
    Additional Material: 3 Tab.
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  • 97
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    International Journal of Quantum Chemistry 9 (1975), S. 743-754 
    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: Formulas for the calculation of matrix elements of the simplified operator of the spin-orbit interaction for the configuration n1lNn2l are deduced for the case when radial orbitals are nonorthogonal. The coefficients of the radial integrals are tabulated for the configuration pNp. The fine structure of the excited configuration of the carbon atom is calculated.
    Additional Material: 2 Tab.
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  • 98
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 99
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    International Journal of Quantum Chemistry 9 (1975) 
    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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  • 100
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    International Journal of Quantum Chemistry 9 (1975), S. 9-21 
    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 type of wave function is proposed for atomic and molecular systems. This all-pair function is constructed of N(N - 1)/2 identical geminals for N electrons. For systems with the highest multiplicity this is the full space part of the wave function. For closed shell systems it has to be multiplied by a Slater determinant according to the antisymmetry condition. In the case of maximal multiplicity a reduced variational equation is derived for the geminal. This equation is independent of the dimensionality of the system and contains the particle number as a multiplicative factor only. The method is extended to the closed shell case where a restriction has to be fulfilled. The reduction of the variational equation can be done only approximately. The use of identical geminals can be treated as a first approximation. An extension of the method, called the pair interdependent configuration interaction (PICI), is proposed. The special features of the method are discussed briefly.
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