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  • 1965-1969  (310)
  • Atomic, Molecular and Optical Physics  (246)
  • Electron Microscopy  (32)
  • Engineering General
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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 12 (1969), S. 329-338 
    ISSN: 1432-0533
    Keywords: Hypokalemic Periodic Paralysis ; Electron Microscopy ; Myopathy ; Sarcoplasmic Reticulum ; Glycogen, Muscular
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Licht- und elektronenoptische Untersuchungen wurden an Muskelbiopsien von 4 Fällen hypokaliämischer periodischer Paralyse durchgeführt. Die frühesten Veränderungen betreffen nach Meinung der Verfasser das sarkoplasmatische Reticulum: Vacuolisierung des Längssystems und vermutlich Multiplikation des Quersystems. Es wird vermutet, daß die Vacuolenbildung die Folge einer Fusion der Vesikeln des Quersystems darstellt. Destruktion von Myofibrillen und Vergrößerung der, interfibrillären Räume treten erst in späteren Phasen des Krankheitsprozesses auf. Ausdehnung und Intensität dieser Veränderungen bedingen das typische histologische Bild myogener Läsionen bei Fällen m klinisch fixierten Symptomen der Myopathie.
    Notes: Summary Light and electron-microscopic studies were performed on the muscles taken from 4 cases with hypokalemic periodic paralysis. The authors conclude that the earliest changes concern the sarcoplasmic reticulum: vacuolisation of the longitudinal system and probably, multiplication of the transverse system. It is suggested, that vacuoles are formed as a result of fusion of the vesicles of the transverse system. Destruction of myofibrilles and enlargement of the interfibrillar spaces appear at a later period of the disease process. Extensive and intensive changes of that kind present a typical appearance of myogenic changes in histological study observed in the cases with clinically fixed symptomes of myopathy.
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 13 (1969), S. 1-11 
    ISSN: 1432-0533
    Keywords: Whipple's Disease ; Granulomatous Encephalitis ; Electron Microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Von 21 Fällen von Whipplescher Krankheit in der Sammlung des Armed Forces Institute of Pathology zeigten 4 Fälle neurologische Symptome mit besonders ausgeprägten Hirnläsionen. Lichtmikroskopisch bestanden die Herde aus knötchenförmigen Anhäufungen von Makrophagen, deren Cytoplasma mit Hämatoxylin-Eosin eine charakteristische schwachblaue und nach Durchführung der Perjodsäure-Schiff-Reaktion eine stark rote Färbung zeigte. Elektronenmikroskopisch fanden sich in den Hirnläsionen Bacillen, die morphologisch den im Darm beschriebenen glichen und die auch dieselben Degenerationserscheinungen aufwiesen. Die Perjodsäure-Schiff-Reaktion färbt Kapselmaterial und Zellwände,die auch nach Untergang der Bacillen noch nachweisbar sind. Diese Beobachtungen werden als weiterer Beweis für die infektiöse Ätiologie der Whippleschen Krankheit angeführt.
    Notes: Summary Among the 21 autopsied cases of Whipple's disease on file at the Armed Forces Institute of Pathology, 4 had neurological symptoms and prominent involvement of the central nervous system, By light microscopy the lesions were composed of nodular aggregates of macrophages having cytoplasm that stained a distinctive pale blue with hematoxylin-eosin and bright red with the periodic acid-Schiff technique. By electron microscopy the cerebral lesions revealed bacilli morphologically identical to and undergoing the same sequence of degenerative changes as those observed in the intestine. The periodic acid-Schiff reaction stains the walls and the capsular material that persists even after intact organisms disappear. These observations further support the infectious nature of Whipple's disease.
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 13 (1969), S. 43-55 
    ISSN: 1432-0533
    Keywords: Subacute Dementia ; Jakob-Creutzfeldt Disease ; Brain Biopsy ; Histochemistry ; Electron Microscopy ; Basement Membrane ; Astroglia Dilatation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Die elektronenoptische und histochemische Untersuchung von Biopsiematerial bei zwei Fällen subakuter Demenz ergab Neurone mit reichlich Lipofuscin-Depots sowie erhöhter saurer Phosphatase-Aktivität. Obwohl diese Veränderungen eine Nervenzellerkrankung anzeigen dürften, werden sie wegen ihrer Ähnlichkeit sowie wegen des Vorliegens anderer, spezifischerer Zellveränderungen als Sekundärphänomene gedeutet. Im ersten Fall wird als primäre Läsion eine Verdickung der Basalmembran der Gefäße, im zweiten Fall eine Astrogliaschwellung angenommen. Da diese Strukturen wichtige Transportfunktionen haben dürften, könnten diese Anomalien leicht die neuronale Versorgung stören und dadurch die neuronalen Läsionen verursachen. Die Bedeutung des Glykogens in diesen Strukturen wird diskutiert.
    Notes: Summary The electron microscopic and histochemical findings in biopsies of two cases of subacute dementia have revealed neurons containing numerous lipofuscin bodies and increased acid phosphatase. Although these changes are considered to indicate neuron disease, they are believed to represent a secondary process because of their similarity and because other more distinctive cell alterations are present. In the first case, the primary abnormality is believed to be thickening of the vascular basement membrane, while in the second case, astroglial dilatation is considered a primary change. Since these structures appear to have important transport functions, these abnormalities could easily impair the nutrient supply to neurons and, in this way, produce the neuronal alteration. The significance of glycogen in these tissues is discussed.
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 13 (1969), S. 131-142 
    ISSN: 1432-0533
    Keywords: Neuropathy, Chronical ; Hypertrophic Neuritis ; Schwann-Cell ; Onion Bulb ; Electron Microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Die wesentlichen Veränderungen bei dem mitgeteilten Fall von chronischer frühinfantiler Neuropathie bestehen in einer Modifikation der Schwann-Zellen, die zur Bildung eines konzentrischen Netzwerkes von Lamellen führt. Dieses wird durch eine doppelkonturierte Hülle der Basalmembran um zahlreiche große bemarkte und unbemarkte Fasern gebildet. Die Anomalien der Markscheiden sowie die Häufigkeit von Desmosomen sind bemerkenswert. Diese Besonderheiten unterscheiden diesen Fall von anderen, bisher beschriebenen chronischen Neuropathien. Trotzdem erscheint es derzeit nicht möglich, eine Aussage über die Spezifität der ultrastrukturellen Befunde am untersuchten Nerven zu treffen.
    Notes: Summary The principal lesion in this case of chronic early infantile neuropathy is a modification of the Schwann cell resulting in the formation of a concentric network of lamellae formed by a double-layered sheet of basement membrane around numerous, large myelinated and unmyelinated fibers. The abnormalities in the myelin sheaths and the frequency of desmosomes are noteworthy. These peculiarities distinguish this case from other chronic neuropathies described up to now. Nevertheless, it is impossible to say at present whether the ultrastructural aspect of the nerve studied here is in any way specific.
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  • 5
    ISSN: 1432-0533
    Keywords: Subacute Sclerosing Leucoencephalitis ; Electron Microscopy ; Tubular Inclusions ; Inclusion Bodies (Cristalline Rods, Fibrillar Bundles, Nuclear Bodies, Osmiophilic Particles)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Les auteurs rapportent 4 observations caractéristiques de LESS: L'analyse ultra-structurale montre: 10 — des inclusions tubulaires intra-nucléaires neuronales ou gliales et intra-axonales de morphologie superposable à celle des nucléocapsides des myxo-virus, de la rougeole en particulier. 20 — des formations non spécifiques: corps nucléaires, faisceaux cristallins et fibrillaires traduisant un trouble métabolique nucléaire, particules osmiophiles liées à une hyperactivité cellulaire. Les inclusions tubulaires virales sont présentes quelque soit la durée de la maladie (3 mois à 5 ans) indiquant l'absence d'autostérilisation virale dans le S.N.C. La LESS apparaît liée au virus rougeoleux mais le mécanisme indirect immunitaire ou métabolique de cette action est inconnu.
    Notes: Summary Four cases of S.S.L.E are reported. The electron microscopy findings show: 1. Tubulary inclusion bodies: They appear in three cases out of four, either in neuronal and glial nucleus or in axis cylinders. Their morphological features are similar to the nucleocapsides of myxoviruses and particularly measles-virus. 2. Other different types of nonspecific inclusions: nuclear bodies, cristalline-like rods and fibrillar bundles which may be considered as the result of a nuclear metabolic disorder, osmiophilic particles which may be seen as the result of a cellular intracytoplasmic hyperactivity. The tubules are found whatever the duration of the disease (3 months up to 5 years) may be. This might indicate that there is no autosterilization of the virus in the C.N.S. during the course of S.S.L.E. According to the most recent papers, such a disease might be interpreted as an infection indirectly induced by measles-virus with an unknown immunologic or metabolic mechanism.
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  • 6
    ISSN: 1432-0533
    Keywords: Marginal Siderosis ; Electron Microscopy ; Myelin-Sheath-Like Structures ; Plaques Fibromyéliniques ; Gliosis, Perivascular, Subpial
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Bei Kaninchen mit einer experimentell erzeugten Randzonensiderose des Zentralnervensystems konnten elektronenmikroskopisch in der Großhirnrinde eigentümliche Spiralstrukturen beobachtet werden. Diese Spiralen fanden sich vornehmlich im Bereich von subpialen und perivasculären Gliosen vor. Sie bestanden aus äußerst dünnen lamellären Astrocytenausläufern, welche um andere astrocytäre Zellfortsätze oder um Dendriten aufgewickelt waren. Die spiralisierten Astrocytenausläufer wiesen in ihrem Inneren feine Filamente mit einer ziemlich regelmäßigen Anordnung auf. In radiärer Richtung ließen die astrocytären Lamellenspiralen eine periodische Schichtung erkennen, welche etwas an die von echten Markscheiden erinnerte. Es wird in Betracht gezogen, daß sie das submikroskopische Äquivalent der sog. Plaques fibromyéliniques darstellen.
    Notes: Summary Peculiar spiral structures could be observed by electron microscopy in the cerebral cortex of rabbits with an experimentally produced marginal siderosis of the central nervous system. These spirals were found predominantly within areas of subpial and perivascular gliosis. They consisted of extremely thin lamellar astrocyte extensions winding around other astroglial processes or dendrites. The spirally coiled astrocyte extensions exhibited within their interior fine filaments having a rather regular arrangement. In the radial direction, the astrocytic lamellae spirals showed a periodic stratification somewhat resembling that of true myelin-sheaths. They were considered to represent the submicroscopic equivalent of the socalled plaques fibromyéliniques.
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 12 (1969), S. 173-182 
    ISSN: 1432-0533
    Keywords: Sodium Deposits ; Electron Microscopy ; Perfusion with Hydroxyadipaldehyde-Antimonate ; Extracellular Space
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Eine Modifikation der Methode zur ultrastrukturellen Darstellung von Natrium wird beschrieben, die eine Perfusion mit leicht alkalischer Mischung von Hydroxydipaldehyd, Phosphatpuffer und Kalium-Pyro-Antimonat verwendet. Im normalen Gehirn werden keine Natrium-Deposite angetroffen. Das spricht dafür, daß im Gehirn keine intraoder extracelluläre Konzentration über 150 mM vorliegt. Bei Vorliegen hoher NaCl-Konzentration sieht man ein großes, dichtes Präcipitat, das nach direkter Injektion in den extracellulären Räumen, Neuronen und Astrocyten lokalisiert werden kann. Im Mark der vergifteten Ratten findet sich ähnlich wie nach direkter Natrium-Injektion ein diskretes, gleichfalls als Natrium aufgefaßtes Präcipitat an der Oberfläche von Oligodendrogliazellen, aber nicht innerhalb dieser Zellen. Ein elektronendichtes Deposit unklarer Herkunft findet sich in den Myelinspalten, die nach akuter TET-Vergiftung auftreten. Der Wechsel in Charakter und Lokalisation dieser elektronendichten Partikel mahnt zur Vorsicht in ihrer Interpretation bei histochemischen Untersuchungsmethoden.
    Notes: Summary A modification of the technique for the ultrastructural demonstration of sodium is described which involves a perfusion with a slightly alkaline mixture of hydroxyadipaldehyde, phosphate buffer and potassium pyroantimonate. No sodium deposits are found in normal brain indicating that no intra or extracellular concentration exceeding 150 mM is present in the brain. In the presence of high concentration of NaCl, a large dense precipitate can be seen which after a direct injection can be localized to extracellular spaces, neurons and astrocytes. In the white matter of tin poisoned rats, as well as after the direct injection of sodium, a discrete precipitate, also believed to represent sodium, is noted at the surface of oligodendrocytes but not within these cells. An electron dense deposit of dubious origin is present in the myelin clefts which occur as a result of acute triethyltin intoxication. The variations in the character and localization of these electron dense particles emphasize the caution which is required in their interpretation following histochemical procedures.
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 12 (1969), S. 307-313 
    ISSN: 1432-0533
    Keywords: Swayback of Lambs ; Electron Microscopy ; Corpus Callosum ; Myelogenesis ; Axonal Changes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Elektronenmikroskopische Untersuchung des Corpus callosum normaler Lämmer und von solchen mit „Swayback” (enzootische Ataxia) ergab den morphologischen Nachweis normaler Myelinentwicklung in beiden Tiergruppen. Von zwei Zellfortsätzen umgebene Axone wurden häufig beobachtet. Reaktive Veränderungen wurden in Axonen der „Swayback”-Lämmer gefunden. Die Bedeutung dieser Befunde wird besprochen.
    Notes: Summary An electron microscopic study of the corpus callosum of normal and swayback lambs has revealed morphological evidence of normal myelinogenesis in both groups of animals. Axons wrapped by two cell processes were frequently encountered. Reactive changes were found in axons in the swayback lambs. The significance of these findings is discussed.
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 12 (1969), S. 103-115 
    ISSN: 1432-0533
    Keywords: Spongy Degeneration of the CNS ; Van Bogaert-Bertrand-Disease ; Electron Microscopy ; Astrocytic Mitochondria ; Abnormal Cerebral Edema
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Es wird über licht- und elektronenoptische Untersuchungen an Muskel-und Hirnbiopsien eines Falles von spongiöser Degeneration des ZNS berichtet. Die in der grauen und weißen Hirnsubstanz enthaltenen Vacuolen entsprechen a) Spalten in den Markscheiden infolge Aufsplitterung an der intraperiodischen Linie und b) geschwollenen Astrocytenperikaryen und-fortsätzen. Ungewöhnliche Mitochondrien mit Gehalt an kristallinem Material fanden sich nur in Astrocyten. Die ultrastrukturellen Befunde entsprechen denen des Hirnödems. Es wird angenommen, daß die Astroglia eine primäre Rolle in der Flüssigkeitsansammlung spielt, während die Markscheidenschwellung als eine Sekundärläsion aufgefaßt wird. Die mögliche Bedeutung abnormer Astrocyten-Mitochondrien wird diskutiert.
    Notes: Summary Light and electron microscopy study of skeletal muscle and cerebral biopsies from a case of spongy degeneration of central nervous system is reported. The multiple vacuoles present in cerebral gray and white matter correspond to (a) clefts within myelin sheaths resulting from splitting at the intraperiod line and (b) swollen astrocytic perikarya and processes. Unusual mitochondria containing crystalline-like material were observed only in astrocytes. The ultrastructural findings are consistent with cerebral edema. It is suggested that the astrocytes play a primary role in the fluid accumulation while the myelin swelling is a secondary lesion. The possible role of the abnormal astrocytic mitochondria is discussed.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 12 (1969), S. 183-188 
    ISSN: 1432-0533
    Keywords: Dystrophia myotonica ; Electron Microscopy ; Sarcolemmal Nuclei ; Myofibrillar Material
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung In fünf Fällen von Dystrophia myotonica zeigte die elektronenoptische Untersuchung von bioptisch entnommenem Material zentrale und subsarkolemmale Kerne, die komplexe vacuoläre Areale um myofibrilläres Material enthalten. Diese bisher nicht beobachtete Veränderung könnte durch Verlagerung von myofibrillärem Material in den Kern während seiner Wanderung in das Faserzentrum durch Invagination, aber nicht Durchbrechung der Kernmembran bedingt sein.
    Notes: Summary In five cases of dystrophia myotonica electron microscope preparations of muscle taken at biopsy showed both centrally placed and subsarcolemmal nuclei containing complex vacuolar areas enclosing myofibrillar material. It is suggested that this appearence, which has not been seen in any other condition, may be due to the forcing of myofibrillar material into the nucleus during its migration to the centre of the fibre invaginating but not breaching its membrane.
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  • 11
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 12 (1969), S. 276-299 
    ISSN: 1432-0533
    Keywords: Herpes simplex Virus ; CNS Tissue Culture ; Multiplication in vitro ; Cytopathic Alterations ; Electron Microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Die häufig diskutierte, (Mit)beteiligung von Herpes simplex-Virus (HSV) bei bestimmten Alterationen im ZNS sowie der hohe Neutropismus des HSV führte zur Frage, inwieweit sich HSV auch in in vitro gezüchteten, spezifischen Zellen vom Nerven-system vermehren und züchten läßt, und ob sich hierbei licht-und elektronenmikroskopisch charakteristische Alterationen nachweisen lassen. Es zeigte sich, daß sich das HSV in allen verschiedenen angezüchteten spezifischen Zellen (von Plexus chorioideus des Rhesusaffen, Kaninchenspinalganglien, menschlichen Oligodendrogliomen, Meningeomen sowie fibrillären und protoplasmatischen Astrocytomen) kultivieren und vermehren läßt. Hierbei kommt es in den spezifischen Zellen nicht nur lichtmikroskopisch zu charakteristischen cytopathischen Veränderungen, sondern auch biologisch zu einer signifikanten Vermehrung des Virus in diesen Zellen. Auch elektronenmikroskopisch lassen sich viele der charakteristischen Bildungs-, Reifungs- und Ausschleusungsstadien des Virus in den Kernen und im Cytoplasma der Zellen beobachten. Die Besonderheiten der elektronenmikroskopisch erhobenen ultrastrukturellen Befunde werden ausführlich beschrieben, und die sich daraus abzuleitenden Möglichkeiten werden im Hinblick auf die biologischen Eigenheiten des HSV bei in vivo-Infektionen, aber auch im Hinblick auf die Deutung lichtmikroskopisch histochemischer und immunhistologischer Befunde nach in vivo-Infektionen mit diesem Virus ausführlich diskutiert.
    Notes: Summary The participation of herpes simplex virus (HSV) in certain alterations of the CNS has been partially questioned and frequently discussed. Therefore, the question arose whether HSV can also be cultivated and multiplied in vitro in CNS specific cells, and if so, whether characteristic alterations and structures can be observed by means of light and electron-microscopic examinations. Our data demonstrate that HSV multiplies in all different specific cells originating from plexus chorioideus of rhesus monkeys, from spinal ganglia of rabbit, from human oligodendroglioma, meningeoma as well as from fibrillar and protoplasmatic astrocytoma. Characteristic cytopathic alterations of these specific cells and significant multiplication of the virus in these cells are to be found. Many of the characteristic forms of formation, maturation and release of HSV can be seen by electronmicroscopic examinations. The particular ultrastructural data observed by electron microscopy are described in detail and the resulting possibilities are broadly discussed not only with regard to the biologic particularity of HSV in in vivo infection but also in view of the interpretations, deriving from histochemical and immunohistological data obtained by light microscopy after in vivo infection.
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  • 12
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 13 (1969), S. 157-168 
    ISSN: 1432-0533
    Keywords: Gangliosides ; Tay-Sachs Disease ; Brain Subcellular Localization ; Hale Stain ; Electron Microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Die Reaktion von kolloidalem Eisen mit Sialomucinen (Hale stain) wurde zur elektronenmikroskopischen Darstellung der neuraminsäurehaltigen Ganglioside in den subcellulären Fraktionen des Gehirns angewandt. Zunächst wurde mit Hilfe tritiummarkierter Ganglioside überprüft, ob bei der Gewinnung subzellulärer Fraktionen Ganglioside nicht unspezifisch subcellulär adsorbiert werden. Eine nennenswerte Adsorption konnte ausgeschlossen werden. Das Verfahren wurde zuerst auf die aus Meerschweinchengehirnen isolierten Fraktionen angewandt. Da Nervenendigungen, Mitochondrien und Synapsenbläschen Hale-positiv reagierten, dienten Enzyminkubationen mit Neuraminidase und Hyaluronidase zur Differenzierung von anderen Hale-positiven sauren Substanzen. Schließlich wurde die Methode auf die cytoplasmatischen multilamellären Körperchen (MCB) übertragen, die aus Gehirnen an Tay-Sachs'scher Krankheit Verstorbener isoliert wurden. Aus den Versuchen konnte abgeleitet werden, a) daß die Hale-Färbung auch Ganglioside anfärbt, b) daß Ganglioside auf der Oberfläche der Membran von den multilamellären Körperchen und mit hoher Wahrscheinlichkeit auch auf der Membran der Nervenendigungen lokalisiert sind, c) daß die Synapsenbläschen eine positive Reaktion ergeben, die jedoch nicht mit Sicherheit auf vorhandene Ganglioside zurückgeführt werden kann, d) daß die äußere Mitochondrienmembran Hale-positive Substanzen enthält, deren Natur unbekannt ist.
    Notes: Summary The reaction of colloidal ferric oxide with sialomucins (Hale stain) was applied to sialic acid-containing gangliosides in subcellular fractions of the brain, in order to investigate their localization by electron microscopy. Prior to all experiments, a check was made, by means of tritium-labeled ganglioside, to confirm that the ganglioside content in the subcellular particles was not the result of an unspecific adsorption during the isolating procedure. No considerable unspecific adsorption could be registered. Hale stain was first applied to subcellular fractions obtained from guinea-pig brains. Since nerve-endings, mitochondria and synaptic vesicles gave a positive staining reaction, incubations with neuraminidase and hyaluronidase were carried out in order to achieve a differentiation. Finally, the method was applied to the membranous cytoplasmic bodies (MCB) which were isolated from the brain of a patient with Tay-Sachs disease. It was concluded that: a) Hale stain stains gangliosides also, b) gangliosides are localized in the membrane of membranous cytoplasmic bodies and also very probably in the membrane of nerve-endings, c) synaptic vesicles give a Hale-positive reaction which cannot with certainty be attributed to gangliosides, d) the outer membrane of mitochondria contains Hale-positive substances, the nature of which is not known.
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  • 13
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 13 (1969), S. 197-216 
    ISSN: 1432-0533
    Keywords: Peripheral Nerves ; Axons ; Myelin Sheaths ; Schwann Cells ; Electron Microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Eine kombinierte licht- und elektronenmikroskopische Untersuchung am normalen N. suralis von 7 Menschen im Alter von 15–59 Jahren wurde vorgenommen. Qualitative und quantitative Beobachtungen an Schwann-Zellen und Fibroblasten, markhaltigen und marklosen Fasern wurden an isolierten Faszikeln durchgeführt. Schwannzellen überwiegen gegenüber Fibroblasten im Verhältnis von etwa 9:1. Die meisten Schwannzellen (etwa 80%) liegen an marklosen Fasern. Die Faktoren, welche die Dichte dieser Zellen pro Querschnittsareal beeinflußen, werden diskutiert. Einige ultrastrukturelle Befunde an bemarkten Fasern werden beschrieben und ihre Zahl pro mm2 sowie die Häufigkeitsverteilung ihrer Dicke wird angegeben. Eine indirekte Methode zur Bestimmung der mittleren Internodienlänge für jede der Markfasergrößenpopulationen an Querschnitten von Faszikeln normaler Nerven durch Bestimmung des Verhältnisses der markhaltigen Fasersegmente zu ihrer Kernzahl wird vorgeschlagen. Die Ultrastruktur der marklosen Nervenfaern wird beschrieben und die Identifizierung dieser Axone mit extremen Durchmessern diskutiert. Ihre Dichte und Größenfrequenzhistogramme sind die ersten, die am Menschen durch systematische elektronenoptische Untersuchungen veröffentlicht werden. Das mittlere Verhältnis von marklosen zu bemarkten Fasern ist etwa 3,7:1 und schwankt in den Faszikeln der Einzelindividuen.
    Notes: Summary A combined light and electron microscope study of the normal sural nerve in 7 people aged 15–59 years is reported. Qualitative and quantitative studies of the Schwann cells and fibroblasts, myelinated and unmyelinated fibres are made in isolated fascicles. Schwann cells predominate over fibroblasts in the ratio of about 9-1. Most Schwann cells, almost 80%, are attached to unmyelinated fibres. Factors influencing the densities of these cells per cross sectional area are discussed. Some ultrastructural features of the myelinated fibres are described and their numbers per sq.mm and frequency distribution of their sizes are produced. An indirect method is proposed for assessing the mean internodal length for earch of the myelinated fibre size populations in cross sections of fascicles of normal nerves by estimating the proportion of myelinated segments cut through their nucleus. The ultrastructure of unmyelinated fibres is described and the identification of axons of extreme diameter is discussed. Their densities and size frequency histograms are the first to be reported in man by systematic electron microscope studies. The average ratio of unmyelinated to myelinated fibre density is about 3.7:1 though it varies in the fascicles of the different individuals. The implications of axonal diameter in the presence of myelin are commented on.
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  • 14
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 13 (1969), S. 289-293 
    ISSN: 1432-0533
    Keywords: Oligodendroglioma ; Nuclear Inclusions ; Electron Microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Es wird die Ultrastruktur von intranucleären stabförmigen Gebilden bei einem Oligodendrogliom beschrieben.
    Notes: Summary Ultrastructure of intranuclear rodlets in an oligodendroglioma is described.
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  • 15
    Electronic Resource
    Electronic Resource
    Springer
    Acta neuropathologica 14 (1969), S. 118-125 
    ISSN: 1432-0533
    Keywords: Carbon Monoxide Poisoning ; Electron Microscopy ; Myelin Disintegration ; Cerebral Anoxia
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Nach experimenteller CO-Vergiftung fanden sich schwerere und ausgedehntere Läsionen in der weißen als in der grauen Hirnsubstanz. Zwischen akuter und chronischer CO-Vergiftung ergaben sich keine wesentlichen qualitativen Unterschiede der Hirnveränderungen. Die Läsionen nach chronischer Intoxikation waren jedoch schwerer als nach akuter Vergiftung. Die Nervenzellen zeigten leicht dilatiertes oder fragmentiertes EPR und Golgi-Komplexe, doch boten die Mitochondrien meist keine pathologischen Veränderungen. Bei chronischen Fällen fand sich gelegentlich eine deutliche Schwellung des EPR von Oligodendrogliazellen. Die Capillaren blieben intakt und die perivasalen Astrogliaendfüßchen waren nicht geschwollen. Im Mark kam es zu teilweisem Ausfall der normalen Markscheidenbestandteile. Die Marklamellen zeigten mäßige Exfoliation sowie eine Umwandlung in homogene oder strukturlose Substanz. Bemarkte Axone waren teilweise kontrahiert und zeigten auf Querschnitten unregelmäßige Form. Gelegentlich fand sich eine Vergrößerung der axonalen Mitochondrien und Zerstörung ihrer inneren Parallelstrukturen. Als Hauptfaktoren in der Pathogenese der Hirnveränderungen nach experimenteller CO_Vergiftung werden zerebrale Anoxie infolge CO-Hämoglobinbildung, cytotoxische Wirkung von CO auf das Hirngewebe und eine Störung der Blutzirkulation angenommen.
    Notes: Summary In experimental carbon monoxide poisoning, more marked and widespread pathological changes in the brain were seen in the white matter as compared with the gray matter. No essential difference, in the appearance of cerebral alterations, was detected between acute and chronic carbon monoxide poisoning. It was confirmed that the changes resulting from chronic poisoning showed a higher degree of severity as compared with those resulting from acute poisoning. Nerve cells with slightly dilated or fragmented endoplasmic reticulum and Golgi complex in the gray matter were found infrequently. However, most mitochondria did not show any kind of abnormality in such cells. A remarkable dilatation of the endoplasmic reticulum of oligodendrocytes was sometimes seen in chronic cases. Capillaries remained intact and astrocytic perivascular foot-plates were not swollen. In the white matter, the normal constituents of the myelin sheath were partially lost and the myelin lamellae showed moderate exfoliation, or a change into homogenous or structureless substance. Myelinated axons were partially contracted and showed an irregularity in shape in transverse sections. Enlargement of occasional axonal mitochondria and the destruction of their internal parallel structures were observed. Cerebral anoxia caused by carboxyhaemoglobin, together with the cytotoxic action of carbon monoxide on the brain tissue and the disturbance of blood circulation in the brain are suggested as the chief factors in the pathogenesis of the cerebral alterations induced by experimental carbon monoxide poisoning.
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  • 16
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    Acta neuropathologica 14 (1969), S. 185-193 
    ISSN: 1432-0533
    Keywords: Hypoxia ; Sodium Azide ; Electron Microscopy ; Ferritin ; Capillary Permeability
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Experimentelle histotoxische Hypoxämie wurde in Ratten durch Natriumacid-Vergiftung erzeugt. Die mikroskopische Untersuchung der Hirne ergab keine Veränderung, aber bei der elektronenmikroskopischen Untersuchung fanden sich als Frühveränderungen in der Hirnrinde und im Subcortex eine Erweiterung der intercellulären Räume und eine Anschwellung der pericapillären Astrocytenfortsätze. Ferritinalbumin-Mischung, die als Indicator des Eiweißtransportes benutzt wurde, zeigte keine Vermehrung der Capillarpermeabilität. Es wird vermutet, daß Natriumacid den Wasserstoffwechsel beeinträchtigt, wobei es eine osmotische Ausgleichstörung im Gehirn erzeugt.
    Notes: Summary Histotoxic hypoxia was experimentally produced in the rat brain by sodium azide intoxication. In spite of the absence of light microscopic alterations, electron micrographs showed the early changes in the cerebral cortex and subcortex which consisted of widening of the intercellular space and swelling of the pericapillary astrocytic end-feet. However, ferritin-albumin mixture, used for the tracer of protein transport, did not show any increase in the capillary permeability. Sodium azide was considered to disturb the water metabolism, producing osmotic unbalance in the brain.
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  • 17
    ISSN: 1432-0533
    Keywords: Methamphetamine Poisoning (Artificial Psychosis) ; Synapses ; Nerve Conduction and Transmission ; Electron Microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Amphetaminchlorid in Mengen von 1 mg pro kg pro Tag wurde 8 männlichen Meerschweinchen ungefähr 1 Jahr lang täglich injiziert, um eine chronische Amphetaminvergiftung zu erzeugen. Bei jedem vergifteten Tier wurde die Feinstruktur des Gehirns elektronenmikroskopisch untersucht. Die Befunde waren folgende: 1. Verschmelzung der Membranen zwischen Axonen in den Nervenendigungen sowie zwischen Axonen und Dendriten wurden in der Großhirnrinde, im limbischen System, im Thalamus und Hypothalmus beobachtet; ferner wurde eine sich vom Cytoplasma bis zur Nervenendigung erstreckende Membranstruktur in diesen Hirnbereichen festgestellt. 2. Im Frontal-, Parietal-, Temporal- und Occipitalhirn sowie im limbischen System fanden sich vermehrt membranbegrenzte Vesikel im Cytoplasma der Nervenzellen und verdicktes und vermehrtes ER in den Nervenfasern. In Anbetracht klinischer Symptome der Patienten mit Amphetaminvergiftung wurde angenommen, daß die Verschmelzung von Membranen zwischen Nervenfortsätzen und das Auftreten der Membranstrukturen in allen Teilen des Nervenzellcytoplasmas vom Perikaryon bis zur Nervenendigung die wichtigsten Befunde sind, die darauf hindeuten, daß die Vergiftungsvorgänge einen wesentlichen Einfluß auf das Leitungssystem der Nerven ausüben können.
    Notes: Summary In 8 male albino strain guinea pigs, 1 mg/kg of methamphetamine HCl was injected daily for 7 months to 1 year to produce chronic methamphetamine intoxication and to study the fine structure of the brain electron microscopically. The following results were obtained: 1. Coalescence of membranes, between axons at the nerve endings and between axons and dendrites, was found in the cortex of the cerebrum and limbic system, in the thalamus and hypothalamus. Membranous structures were found in all portions of the cytoplasm of the nerve cells. 2. Within the cytoplasm of the nerve cell, coated vesicles were increased in number with hypertrophy and increase of endoplasmic reticulum within nerve fibres in the frontal, parietal, temporal and occipital regions, and in the limbic system. In view of these findings, as well as the clinical neurological symptoms in patients with methamphetamine poisoning, the coalescence of membranes between nerve processes and the appearance of membranous structures in all portions of nerve cell cytoplasm from body to nerve endings appear to represent the most important findings, they probably produce a profound disturbance in the system of nerve conduction and transmission.
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  • 18
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    Acta neuropathologica 14 (1969), S. 237-249 
    ISSN: 1432-0533
    Keywords: Electron Microscopy ; Wallerian Degeneration ; Nodal Changes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Es wird über ultrastrukturelle Veränderungen in den Ranvierschen Knoten des N.suralis der Ratte im Laufe der Wallerschen Degeneration berichtet. Die Untersuchungen erfolgten 12 und 120 Std nach einer örtlichen Quetschungsverletzung. Die ersten bemerkbaren Veränderungen finden sich im Axon. Nodale und paranodale Anhäufungen von Mitochondrien, multivesikulären und lamellären Körpern, wie auch kleinen blasen- und röhrenartigen Bildungen sind teilweise in den Knoten sichtbar und am deutlichsten nach 24–36 Std erkennbar. Gleichzeitig erfolgt eine Aufsplitterung der Neurofilamente und Neurotubuli, die ihre Liniengestaltung verlieren und sich zusammenballen. Die Zone der erhöhten Dichte gerade unterhalb des nodalen Axolemmas bleibt erhalten. Veränderungen im Myelin beginnen etwas später und bestehen in einem vesikulären Verfall der Endomyelinlamellen und einer Trennung der Endomyelinschlaufen vom Axolemma durch Schwannzellenfortsätze. Dieser Vorgang schien mit einem Zurückziehen des Myelins vom Knoten im Zusammenhang zu stehen. Schwannzellenfortsätze erstrecken sich auch so weit, daß sie das nodale Axon bedecken, wobei sie die nodalen Schwannzellenfortsätze vom Axolemma trennen. Das Endstadium ist die Unterbrechung des nodalen Axons und die Verschmelzung der Myelinenden als Teil der Ovoidbildung.
    Notes: Summary Observations are reported on the ultrastructural alterations at the nodes of Ranvier in the rat sural nerve during the course of Wallerian degeneration. These were examined between 12 and 120 hours after a localized crush injury. The earliest detectable changes are in the axon. Nodal and paranodal accumulations of mitochondria, multivesicular bodies, lamellar bodies and small vesicular and tubular profiles are seen at a proportion of the nodes and are most evident at 24–36 hours. Concomitantly with this, the neurofilaments and neurotubulus fragment, lose their alignment and clump together. The zone of increased density just beneath the nodal axolemma is preserved. Changes in the myelin begin slightly later and consist of vesicular breakdown of the terminal myelin lamellae, and separation of the terminal myelin loops from the axolemma by Schwann cell processes. The latter event appeared to be associated with retraction of the myelin from the node. Schwann cell processes also extend to cover the nodal axon, separating the Schwann cell nodal processes from the axolemma. The final stage is the interruption of the nodal axon and the fusion of the ends of the myelin as part of ovoid formation.
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  • 19
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    Acta neuropathologica 13 (1969), S. 149-156 
    ISSN: 1432-0533
    Keywords: Electron Microscopy ; Leucodystrophy, Metachromatic ; Enzyme Histochemistry, Electronmicroscopical ; Lysosomes ; Neurochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Dans la leucodystrophie métachromatique, les lipides anormaux s'accumulent dans les lysosomes des cellules gliales et des phagocytes. Les inclusions lipidiques les moins organisées sont les plus riches en phosphatases acides. Celles dont l'ultrastructure est prismatique ont une activité enzymatique très faible et semblent plus proches de corps résiduels que de lysosomes actifs. Il semble que l'absence d'arylsulfatase lysosomiale induise la persistance des sulfatides accumulés dans les lysosomes alors que les autres lipides provenant de la dégénérescence myélinique, seraient normalement catabolisés. Un remaniement progressif de l'ultrastructure du contenu des lysosomes en est la conséquence.
    Notes: Summary In metachromatic leucodystrophy abnormal lipids are stored within the lysosomes of the glial cells and phagocytes. The lipid inclusions which are the less structured are the richest in acid phosphatases. Those of which the ultrastructure is prismatic show a very low enzymatic activity and are more similar to residual bodies than to active lysosomes. It appears that the lack in lysosomal arylsulfatase leads to an accumulation of the sulfatide moiety of the stored lipids while the other lipids originating from the myelin breakdown, would be normally catabolized. This leads to a progressive transformation of the ultrastructure of the lysosome contents.
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  • 20
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    Acta neuropathologica 13 (1969), S. 169-181 
    ISSN: 1432-0533
    Keywords: Japanese Encephalitis ; Experimental ; Electron Microscopy ; Virus Particles in Neurons
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Groß- und Kleinhirnrinde, Plexus chorioideus und Rückenmark von Mäusen wurden nach intracerebraler Inoculation einer Hirnemulsion mit Virus der Encephalitis japonica (JEV) elektronenoptisch untersucht, um den Ort der JEV-Replikation zu bostimmen. 72 Std nach der Inoculation bei Beginn der encephalitischen Symptome enthielten 70 bis 80% aller Rindenneurone und Vorderhornzellen viele sphärische Partikel, die meist im zarten endoplasmatischen Reticulum (EPR) und vereinzelt im granulären EPR lokalisiert waren. Die Einzelpartikel zeigten eine gleichförmige Substruktur aus einem elektronendichten zentralen Hof von 25–30 mμ Durchmesser, einer äußeren, weniger elektronendichten Zone und einer äußersten Grenzmembran von 40 mμ Durchmesser. 96 Std nach der Inoculation zeigte das Cytoplasma der Rinden- und Vorderhornneurone sehr viele Vacuolen und Vesiceln. Partikel wurden weit verstreut in den Vacuolen und Vesiceln sowie erstmals im ERP der Sternzellen und Purkinjezellen angetroffen, allerdings in geringerer Zahl. Keine derartigen Partikel wurden in Kontrolltieren und normalen Mäusegruppen angetroffen. Sogenannte eosinophile intranucleäre Einschlüsse in Epithelzellen des Plexus chorioideus zeigten keine derartigen Partikel im Kern oder in den cytoplasmatischen Bläschen. Nachdem keine als JEV identifizierbaren Partikel in Glia- und Endothelzellen nachzuweisen waren, wird angenommen, daß das JEV echt neurotrop ist und sich im EPR der Nervenzellen repliziert.
    Notes: Summary Cerebral and cerebellar cortices, choroid plexus and spinal cord of mice, inoculated intracerebrally with a brain emulsion containing Japanese encephalitis virus (JEV), were studied electronmicroscopically to determine the cell type and the site of JEV replication. 72 hours after inoculation, when the mice began to show encephalitic symptoms, 70 to 80% of all cortical neurons and anterior horn cells contained many spherical particles mostly located in the smooth endoplasmic reticulum and a few in the granular endoplasmic reticulum. The individual particles demonstrated an uniform substructure consisting of an electron dense central core of 25–30 mμ diameter, an outer less electron dense zone and an outermost limiting membrane of 40 mμ diameter. 96 hours after inoculation, the cytoplasm of cortical neurons and anterior horn cells was observed to contain very many vacuoles and vesicles. Particles were found widely scattered throughout the vacuoles and vesicles, and were observed for the first time in the endoplasmic reticulum of the stellate neurons and in Purkinje cells, though fewer. No such particles were observed in control and normal mouse groups. So-called eosinophic intranuclear inclusions of epithelial cells of choroid plexus failed to show any particles in their nuclei or cytoplasmic vesicles. Considering that no particulate matter, identifiable as JEV, was identified within any of the glial cells or endothelium in this examination, it was concluded that JEV was really neurotropic and replicates in the endoplasmic reticulum of the neurons.
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  • 21
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    Acta neuropathologica 13 (1969), S. 250-266 
    ISSN: 1432-0533
    Keywords: Electron Microscopy ; Congenital Myopathy ; Nemaline Myopathy ; Z-band Structure ; Sarcoplasmic Masses
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé L'étude ultrastructurale d'une observation de «Nemaline-Myopathy» a été centrée sur les rapports structurels entre bâtonnets et stries Z normales dans différentes conditions de fixation. L'aspect des stries Z, en section transversale, varie en effet avec la fixation: réseau de ponts «obliques» (par rapport à l'alignement quadratique régulier des terminaisons des filaments fins) après fixation osmiée, réseau de ponts «transversaux», isolé ou superposé au premier réseau, après fixation aldéhydique initiale. L'aspect des bâtonnets en section transversale varie également avec la fixation; la disposition quadratique des filaments constitutifs des bâtonnets est visible après l'une et l'autre fixation, mais un réseau quadratique régulier, de 75 Å de côté, n'est clairement apparent qu'après fixation aldéhydique. Le point important est que ce dernier aspect diffère complètement du réseau «oblique» des stries Z normales, et peut être rapproché au contraire du réseau «transversal» de la strie Z obtenu après fixation aldéhydique; l'hypothèse est ainsi soulevée de la constitution des ponts dans les bâtonnets aux dépens d'un seul des deux constituants morphologiques de la strie Z. La topographie des bâtonnets a été également étudiée: tantôt périphérique, au sein de masses sarcoplasmiques latérales, tantôt centrale, au sein de petits foyers de désintégration myofibrillaire. La structure des plaques motrices visibles dans les préparations était normale. La spécificité de la lésion élémentaire et l'autonomie de ce type de myopathie sont ensuite discutées.
    Notes: Summary Ultrastructural study of an observation of “Nemaline Myopathy” has been focused on structural relationships between rods and normal Z-bands in different conditions of fixation. The Z-band structure studied in transversal section, varies with the fixation: network of “oblique” (relative to the regular quadratic pattern of the thin filament endings) bridges after osmic fixation; network of “transversal” bridges, alone or associated to the first network, after aldehydic fixation. The rod structure, in transversal section, is also varying with the fixation: a quadratic disposal of the filamentary content is visible after both fixations, but a regular quadratic network, 75–85 Å side, is clearly appearent only after aldehydic fixation. This last network differs from the “oblique” network of the normal Z-band; it can be compared to the “transversal” one obtained in the Z-band after aldehydic fixation. The hypothesis that bridges in the rods are formed only by one of the two normal morphological components of the Z-band, is raised. Topography of the rods in muscle fibers has been studied: either in peripheral sarcoplasmic masses, or in small central-located foci of myofibrillar disintegration. The end-plates structure was normal. Specificity of the elementary lesion, and autonomy of that type of myopathy is discussed.
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  • 22
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    Acta neuropathologica 13 (1969), S. 301-323 
    ISSN: 1432-0533
    Keywords: Meningiomas ; Electron Microscopy ; Endotheliomatous, Fibromatous Type ; Light Cells ; Dark Cells ; Histogenesis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung 17 chirurgisch entfernte Meningiome vom endotheliomatösen und 5 vom fibromatösen Typ wurden elektronenmikroskopisch untersucht. Unterschiede im Entwicklungsgrad der cytoplasmatischen Fortsätze und der Beziehungen zwischen den Plasmamembranen der Tumorzellen wurden in den endotheliomatösen Meningeomen beobachtet. In 4 fibromatösen Tumoren sind die zelligen Areale von bindegewebigen Räumen umgeben. Auch wenn die meisten Tumorzellen helle Zellen sind und sich nicht wesentlich von den Tumorzellen der endotheliomatösen Meningiome unterscheiden, ist die histologische Anordnung der fibromatösen klar von derjenigen der endotheliomatösen Meningeome zu trennen. Ausschlaggebend dafür ist die starke Entwicklung des Bindegewebes. Die Dunkelzellen lassen sich in zwei Typen gliedern: Typ I wird in vier Tumoren mit stark ausgebildetem Bindegewebe angetroffen. Die Analyse der inneren Zellstruktur sowie das Vorliegen von Übergängen zwischen hellen und dunklen Zellen machen es wahrscheinlich, daß diese nur verschiedene Typen einer einzigen Ursprungszelle darstellen. Die Bedeutung dieser verschiedenen Erscheinungsformen der Meningiomzellen wird diskutiert. Die Ultrastruktur der Tumorzellen ähnelt derjenigen der normalen arachnoidalen Zellen. Rückschlüsse auf die blastodermale Herkunft der normalen und tumoralen meninigalen Zellen auf Grund ihrer ultrastrukturellen Merkmale erscheinen verfrüht.
    Notes: Summary Seventeen surgically removed meningiomas of the endotheliomatous and five of the fibromatous type were investigated with an electron microscope. Differences of the development of cytoplasmic processes and the relations between plasma membranes of blastomatous cells were observed in endotheliomatous meningiomas. In four of the fibromatous tumors the cell groups were surrounded by spaces of connective tissue. Although most of the tumor cells were light cells and are not essentially different from the tumor cells of the endotheliomatous meningiomas, the histological structure of fibromatous meningiomas is clearly distinguished from the endotheliomatous type, because of the greater amount of connective tissue. The dark cells may be divided into two types: the first was found in those four tumors, where the connective tissue is well developed, while the second one only occurred in one of the tumors. The analysis of the inner cell structure as well as the presence of interstages between dark and light cells makes it probable that dark and light cells are different types of one original cell. The cause of this different appearance of the menigioma cells is discussed. The fine structure of the tumor cells showed a great similarity with that of normal arachnoidal cells. Conclusions on the blastodermic origin of normal and blastomatous meningial cells on the basis of ultrastructural characteristics, however, seem to be premature.
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  • 23
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    Acta neuropathologica 14 (1969), S. 201-214 
    ISSN: 1432-0533
    Keywords: Electron Microscopy ; Epilepsy, Experimental ; Focus ; Cobalt Gelatine ; Plasmatic Infiltration ; Brain Edema
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Bei 25 erwachsenen Ratten wurde ein epileptogener Kobaltgelatineherd in einer Standardregion der Hirnrinde erzeugt. Die Tiere wurden am 1., 3., 5., 8., 14. 21. und 28. Tag nach der Operation getötet. Das Gebiet des epileptogenen Herdes wurde elektronenmikroskopisch untersucht. Die frühesten Veränderungen bestanden in ödem. Später traten Veränderungen der Astrocytenfortsätze auf, die sich an die Basalmembranen der Capillaren anlegten; die Intercellularräume erweiterten sich, füllten sich mit elektronenoptisch dichten Massen und entwickelten ein “plasmatisches Infiltrat”. Allmählich breitete sich dieses Exsudat weiter um die Capillaren aus; es trat an Orten auf, wo die Astrocytenfortsätze und die Dendriten schwer geschädigt waren und erfüllte die weiteren Intercellularräume des Neuropils. Die Nervenzellen zeigten eine auffallende Widerstandsfähigkeit gegenüber diesem pathologischen Prozeß. Manchmal waren sie umschlossen von Exsudatmassen und zum Teil oder ganz der zarten neuralen und Astrocytenfortsätze beraubt, von denen sie normalerweise umgeben sind. Unsere Befunde werden als das ultrastrukturelle Korrelat der Schols'schen “plasmatischen Infiltration” interpretiert.
    Notes: Summary In 25 adult rats an epileptogenic cobalt-gelatine focus was produced in a standard region of the cerebral cortex. The animals were killed successively on the 1st, 3rd, 5th, 8th, 14th, 21st and 28th day after operation and the region of the epileptogenic focus was examined electron microscopically. The earliest changes were those of oedema. Later there occurred disturbances of the astrocytic processes which cling to the basement membranes of the capillaries; the intercellular spaces widened and filled with rather E. M. dense masses and a “plasmatic infiltrate” developed. Gradually this exudative substance spread even further from the capillaries. It appeared in places where the astrocytic processes were severely demaged and the dendrites were partly dissipated and it filled out the wide intercellular spaces of the neuropil. The nerve cells showed a striking resistance toward this pathological process. Sometimes they floated in the exudative masses but were partly or totally deprived of the fine neural and astrocytic processes which normally surround them. Our findings are interpreted as the ultrastructural correlate of Scholz's “plasmatic infiltration”.
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  • 24
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    Calcified tissue international 3 (1969), S. 151-162 
    ISSN: 1432-0827
    Keywords: Calcification ; Physiologic ; Phosphonic Acids ; Phosphates ; Crystallization ; Electron Microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine , Physics
    Description / Table of Contents: Résumé On a étudié la formation de l'hydroxyapatite de calcium cristallin à partir de solutions d'ions de calcium et de phosphate et l'inhibition de la croissance de cristaux de l'hydroxyapatite de calcium au moyen de polyphosphonates et de polyphosphates. Les polyphosphonates, éthane hydroxy-1-diphosphonate-1,1 de disodium et dichlorométhanediphosphonate de disodium, sont inhibiteurs efficaces contre la croissance de cristaux de l'hydroxyapatite de calcium. Les polyphosphates sont aussi inhibiteurs efficaces contre la croissance de cristaux de l'hydroxyapatite de calcium tant que le niveau exigé de polyphosphate intact est présent dans le système. Cependant, à cause de leur instabilité hydrolytique, qui est soulignée par une température élevée, valeur de pH basse, et certaines enzymes, la concentration du polyphosphate diminue avec le tempsin vitro, et son activité comme inhibiteur est perdue. Au contraire aux polyphosphates, les polyphosphonates sont hydrolytiquement stables. Les polyphosphonates sont chimiosorbés sur la surface des microcristallites de l'hydroxyapatite de calcium, ainsi empêchant l'occurrence d'autre croissance de cristaux semblable à l'action d'autres poisons connus de croissance de cristaux. On propose l'extension de cette action sur la formation de l'apatite et cette stabilité des polyphosphonates aux applications médicales et dentaires concernant le metabolisme pathologique de calcium et de phosphate.
    Abstract: Zusammenfassung Die Bildung des kristallinen Calciumhydroxyapatit aus Lösungen, welche Calcium- und Phosphationen enthalten, und die Hemmung der Bildung von kristallinen Calciumhydroxyapatit durch Polyphosphonate und Polyphosphate wurden untersucht. Polyphosphonate, Dinatriumäthan-1-hydroxyl-1,1-diphosphonat und Dinatriumdichloromethandiphosphonate verhindern das Kristallwachstum des Calciumhydroxyapatits. Die Polyphosphate verhindern ebenfalls das Kristallwachstum des Calciumhydroxyapatits, solange die notwendige Konzentration des nicht hydrolysierten Polyphosphats vorhanden ist. Wegen ihrer hydrolytischen Unbeständigkeit, die durch hohe Temperatur, niedrige pH und bestimmte Enzyme erhöht wird, vermindert sich jedoch die Konzentration des Polyphosphats allmählichin vitro, und ihre Hemmungsaktivität geht verloren. Im Gegensatz zu den Polyphosphaten sind die Polyphosphonate hydrolytisch beständig. Die Polyphosphonate werden an der Oberfläche der Mikrokristallite des Calciumhydroxyapatits chemisorbiert und verhindern, wie andere bekannte Kristallwachstumsgifte, auf diese Weise weiteres Kristallwachstum. Die Beständigkeit der Polyphosphonate und ihre Chemisorption an dem Apatit empfehlen ihren Gebrauch in der ärztlichen und zahnärztlichen Praxis, soweit sie den pathologischen Calcium- und Phosphatstoffwechsel betreffen.
    Notes: Abstract The formation of crystalline calcium hydroxyapatite from solutions of calcium and phosphate ions and the inhibition of calcium hydroxyapatite crystal growth by polyphosphonates and polyphosphates have been studied. The polyphosphonates, disodium ethane-1-hydroxy-1,1-diphosphonate and disodium dichloromethane diphosphonate, are effective inhibitors of calcium hydroxyapatite crystal growth. The polyphosphates are also effective inhibitors of calcium hydroxyapatite crystal growth as long as the required level of intact polyphosphate is present in the system. However, because of their hydrolytic instability, which is enhanced by high temperature, low pH, and certain enzymes, the concentration of the polyphosphate decreases with timein vitro, and its activity as an inhibitor is lost. In contrast to the polyphosphates, the polyphosphonates are hydrolytically stable. The polyphosphonates are chemisorbed on the surface of the microcrystallites of calcium hydroxyapatite and, in the manner of other known crystal growth poisons, thus prevent further crystal growth. The stability of the polyphosphonates and their chemisorption on apatite suggest their use in medical and dental applications involving pathological calcium and phosphate metabolism.
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  • 25
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    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 25-32 
    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 method of calculating wave functions for an electron-nucleon system by a variational method originally suggested by Born and Oppenheimer [1] is rigorously investigated. As an application we sketch the calculation of a simple nonadiabatic wave function for the system.
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  • 26
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    International Journal of Quantum Chemistry 3 (1969), S. 247-247 
    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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  • 27
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    International Journal of Quantum Chemistry 3 (1969), S. 249-267 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Results obtained by various quantum-mechanical approaches in studying localized states on crystal surfaces are summarized and discussed. The one- and many-electron aspects of the problem are compared and shown to lead to similar results. Emphasis is laid upon localized chemisorption states on intrinsic semiconductors. The problem of the calculation of chemisorption heat on solid surfaces is also mentioned.
    Additional Material: 6 Ill.
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  • 28
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    International Journal of Quantum Chemistry 3 (1969), S. 297-301 
    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 expansion of the wave function for the 23S state of the two-electron atom in the neighbourhood of the singularity at r1 = r2 = 0 is considered. The restrictions imposed on the variational functions by this expansion are discussed. For the 23S state of He, Li+, N5+ the behaviour of the variational function based on the Fock expansion in the neighbourhood of this singularity is investigated. The agreement of the variational coefficients with the theoretical coefficients is satisfactory. The calculated values of E and 〈δ(r2)〉 for He, Li+, N5+ are given.
    Additional Material: 1 Tab.
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  • 29
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    International Journal of Quantum Chemistry 3 (1969), S. 317-325 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method of calculating the energy of the long-range interaction between atoms and charges is presented. Simplification of the solution of the perturbation equations is achieved by a formal use of the “Double-Perturbation Method”. Numerical results for the energies of the 2pσ state of HeH+2 are obtained.
    Additional Material: 1 Tab.
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  • 30
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    International Journal of Quantum Chemistry 3 (1969), S. 371-373 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown that the familiar Temple, Stevenson-Crawford, and Weinstein lower bound formulas for eigenvalues are consequences of a much stronger general lower bound formula and the weak “Eckart criterion” for the overlap of the approximate and true wave functions.
    Additional Material: 1 Ill.
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  • 31
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    International Journal of Quantum Chemistry 3 (1969), S. 349-370 
    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 radius of the series expansion for the energy of H2+ in the δ-function model (in terms of the perturbation parameter μ/λ, where μ is the charge of the perturbing nucleus and λ the fixed charge of the other nucleus) is investigated. A lower bound of this convergence radius (possibly equal to it) previously defined by Robinson [5] is studied analytically as a function of the internuclear distance R and computed numerically. The results differ strikingly from those previously obtained by Robinson who used a simplified but poorer lower bound: in contrast with this poorer bound, the one studied in the present paper is larger than for I every R, from which fact it may be concluded that, contrary to Robinson's previous result, the series expansion of the energy, in the δ-function model under consideration, still converges when μ = λ for every R.
    Additional Material: 4 Ill.
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  • 32
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electronic spectrum of biphenylene has been studied theoretically. The investigation is based on the semi-empirical LCAO SCF MO method with various degrees of approximations. The results have been analysed with regard to the following two factors: (a) The difference in effective electronegativity between the carbon atoms in the four-membered ring and the other carbon atoms in the molecule. (b) The inclusion of doubly excited configurations in the description of the π-electronic molecular states. The theory satisfactorily interprets the excitation energies and the nature of the electronic transitions. The predictions are particularly affected by the inclusion of the doubly excited configurations. On the basis of these results, the empirical parameters used are discussed.
    Additional Material: 4 Ill.
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  • 33
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    International Journal of Quantum Chemistry 3 (1969), S. 723-730 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Energy relations are derived for neutral atoms and isoelectronic sequences. It is shown that the field of the electrons at the position of the nucleus follows a very simple law and the diamagnetic shielding constant may be given in simple analytic form as a function of the atomic number.
    Additional Material: 2 Ill.
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  • 34
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    International Journal of Quantum Chemistry 3 (1969), S. 1027-1043 
    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 wave function defining a quantum-mechanical system is considered as the Laplace transform of some distribution and the consequent form of the Variational Principle derived; an integral equation defines the eigenfunctions of a certain subclass. The model of the hydrogen-like atom is used to test the theory; the eigenfunctions and associated energy levels of the ground and excited states are obtained for arbitrary values of the orbital quantum number.
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  • 35
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Expressions of the matrix elements of the spin-other-orbit and spin-orbit interactions for the various multiplets of all the states of ƒ2- and ƒ3-electron configurations are reported and used to evaluate the Hartree-Fock values of these interactions in the neutral atoms Ce(4ƒ2), Pr(4ƒ3), Ho(4ƒ11) and Er(4ƒ12). The required values of the spin-spin parameters M(K)s, and the spin-orbit parameter ζ for these atoms were obtained using numerical Hartree-Fock wave functions.
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  • 36
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    International Journal of Quantum Chemistry 3 (1969), S. 1061-1064 
    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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  • 37
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    International Journal of Quantum Chemistry 3 (1969), S. 1067-1068 
    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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  • 38
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    International Journal of Quantum Chemistry 3 (1969), S. 1069-1070 
    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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  • 39
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for the determination of the virtual orbitals for configuration interaction is described. This method is a generalization of the one used by Watson in 1960 for the ground state of the beryllium atom. The important point in the method is to complete the set of functions used successively. As an illustration the method is applied to the ground state of the beryllium atom. The method seems to be efficient.
    Additional Material: 6 Tab.
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  • 40
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    International Journal of Quantum Chemistry 3 (1969), S. 45-56 
    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 configuration interaction method has been applied to the H2 and H3 systems. The effect of increasing the size of the atomic Slater-type orbital basis has been studied. A minimization procedure with respect to orbital exponents has been carried out.
    Additional Material: 4 Ill.
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  • 41
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    International Journal of Quantum Chemistry 3 (1969), S. 107-113 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Using the natural orbital representation and optimizing the exponents in the Slater-type orbital basis, configuration interaction type wave functions for the helium atom are given which combine compactness and high accuracy.
    Additional Material: 5 Tab.
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  • 42
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    International Journal of Quantum Chemistry 3 (1969), S. 141-143 
    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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  • 43
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    International Journal of Quantum Chemistry 3 (1969), S. 131-139 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An analytical approximation for the hypersurface E (pr-approximation) is given using the two- and three-center-functions pλμ and rμνλ, which is valid for any number N of atoms and is invariant with respect to the number of centers in its analytical structure (rule of construction). This is valid too if N is reduced either by the association of atoms or by transitions to infinity. pλμ can be fixed by two-center-systems. But rμνλ is still free except for the fulfilling of some simple requirements. The rule of construction proposed for E is an example for using so-called analytical computers.
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  • 44
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    International Journal of Quantum Chemistry 3 (1969) 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 45
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    International Journal of Quantum Chemistry 3 (1969), S. 185-194 
    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: Polarization is shown to play a non-negligible role in two properties of the ground state of benzene-iodine type complexes: their dipole moment, and the halogen infrared spectrum. These results, compared with preceding results concerning π-π complexes, suggest that the ground-state properties of charge-transfer complexes should not be interpreted exclusively by the usual resonance mode.
    Additional Material: 2 Ill.
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  • 46
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    International Journal of Quantum Chemistry 3 (1969), S. 219-224 
    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 calculations are presented on the hydrogen bond using a perturbation theory approach. Results confirm indications of earlier work that perturbation theory is capable of giving a reasonable description of hydrogen bonded systems.
    Additional Material: 1 Ill.
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  • 47
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    International Journal of Quantum Chemistry 3 (1969), S. 225-230 
    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 zero-field splitting parameters D, E, and D* are calculated theoretically for four phenyl naphthalenes. Esr measurements show that the theoretical calculations are in good agreement with experiment. Comparison of the theoretical and experimental results gives some insight into the geometry of these molecules in their lowest triplet state.
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  • 48
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    International Journal of Quantum Chemistry 3 (1969) 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 49
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    International Journal of Quantum Chemistry 3 (1969), S. 269-287 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 6 Ill.
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  • 50
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    International Journal of Quantum Chemistry 3 (1969), S. 763-766 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown that the uncoupled approximation of Dalgarno with the approximate form of the Hartree-Fock operator gives no bound for the second order energy.
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  • 51
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    International Journal of Quantum Chemistry 3 (1969), S. 781-793 
    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: Radiation damping of three atoms in a radiation field is studied for both a linear and closed-chain configuration. One atom of the system is initially excited. Use is made of the Heitler-Ma perturbation procedure up to second order. The discussion is developed in terms of the symmetry of the interactions within the system. The interactions arising from dipole transitions perpendicular to the plane of the closed chain are shown to be similar to the interactions in a two-atom system, and the results are extended to cover larger rings.
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  • 52
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    International Journal of Quantum Chemistry 3 (1969), S. 823-849 
    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 long range intermolecular forces in terms of the interaction energies between two conjugated molecules are computed and discussed for the cases: (a) a point charge and ethylene, (b) two ethylene molecules, (c) two hexatriene molecules, (d) two benzene molecules, (e) two naphthalene molecules, and (f) two polar merocyanine molecules. The calculations are based on Buckingham's theory of long range intermolecular forces and the author's values for multipole moments and polarizabilities presented previously. The advantage of the treatment is: asymmetric molecules are correctly described and the intermolecular potential is better approximated than by the usual dipole approximation.
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  • 53
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    International Journal of Quantum Chemistry 3 (1969), S. 873-879 
    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 system C2H5+ has been investigated as ethyl cation and as protonated ethylene using the SCF-MO-LC(LCGO) method. Equilibrium distances and angles have been estimated by different potential curves. No difference in total energy was found between the π- and the σ-complex.
    Additional Material: 4 Ill.
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  • 54
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    International Journal of Quantum Chemistry 3 (1969), S. 889-891 
    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: 2-butene has been investigated for different nuclear positions taking all 32 electrons into account, using the SCF-MO-LC(LCGO) method. The calculations show that the energy of the trans-form is 1.1 kcal/mol lower than that of the cis-form. The potential curve between these two forms is shown graphically. The ionization energy was estimated to be 9.0 eV.
    Additional Material: 1 Ill.
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  • 55
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    International Journal of Quantum Chemistry 3 (1969), S. 903-911 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown how the leading term for very large R of the Casimir-Polder potential, that is the term varying as R-7, arises in second-order perturbation theory applied to the interaction Hamiltonian - \documentclass{article}\pagestyle{empty}\begin{document}$ - \sum\limits_\sigma {\frac{1}{2}\alpha (\sigma){\rm E}^{ \bot ^2 } (\sigma)} $\end{document}. The generalization to anisotropic molecules is calculated and the angular dependence of the long range intermolecular potential in this case is given explicitly in terms of the principal polarizabilities and their corresponding directions of the two molecules.
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  • 56
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    International Journal of Quantum Chemistry 3 (1969), S. 945-968 
    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 long-range interaction energies for different dissociation products of the HeH+ molecule have been calculated using the Rayleigh-Schrödinger perturbation theory up to the third order in the energy. The calculations were carried out for the ground state (He(ls2) + H+), the first excited state (H(ls) + He+(ls)) and the second excited state Π(H(2pπ) + He+(ls)). The unperturbed states correspond to the dissociation products denoted in parentheses. Assuming the overlap to be zero, expanding the interaction potential in the inverse powers of the internuclear distance R and using the familiarly known perturbation-variational technique, the coefficients of various powers of R-1 in the energy expansion were evaluated. They correspond to different multipole-multipole interactions. The potential energy curves of all three states under consideration were calculated for large values of R. Also calculated were the multipole polarizabilities of the hydrogen atom in the is and 2pπ states and of the helium atom in the ground state.
    Additional Material: 4 Ill.
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  • 57
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    International Journal of Quantum Chemistry 3 (1969), S. 983-999 
    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: Semi-empirical calculations of the π-band structure of planar and three-dimensional graphite are described. Special attention is given to the significance of band parameters. The theoretical results are in good agreement with experiment.
    Additional Material: 15 Tab.
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  • 58
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    International Journal of Quantum Chemistry 3 (1969), S. 1013-1025 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: All-electron SCF-LCAO-MO computations for diazomethane, ketene and allene are presented. The basis functions are contracted Gaussian orbitals. Theoretical results are discussed and related to available experimental data.
    Additional Material: 3 Ill.
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  • 59
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    International Journal of Quantum Chemistry 3 (1969), S. 1055-1058 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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  • 60
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    International Journal of Quantum Chemistry 3 (1969), S. 1058-1061 
    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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  • 61
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    International Journal of Quantum Chemistry 3 (1969), S. 1064-1066 
    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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  • 62
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    International Journal of Quantum Chemistry 3 (1969), S. 115-121 
    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 wave function of the HeHHe+ molecule has been calculated by means of the GENERAL SCF-MO-LC(LCGO) PROGRAM SYSTEM, taking all four electrons into account. The calculations were carried out for a number of linear equidistant, linear non-equidistant, and bent nuclear arrangements. The minimum energy of -5.7930 a.u. was found for a linear equidistant configuration with a He—H distance of 0.939 Å. The corresponding ionization energy was 37.9 eV. An estimation of the energy of formation of HeHHe+ from HeH+ and He based on SCF-calculations on HeH+ and He gave 7.9 kcal/mole. The frequencies of the normal vibrations were calculated.
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  • 63
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    International Journal of Quantum Chemistry 3 (1969), S. 145-145 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 64
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    International Journal of Quantum Chemistry 3 (1969), S. 149-167 
    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 general formulas which are convenient for cluster analysis of a configuration interaction wave function are presented. These formulas are then used for cluster analysis of the “complete” configuration interaction wave functions of the π-electronic models of benzene and butadiene obtained with a semiempirical method of the Pariser-Parr-Pople type using three different parameterizations. For butadiene the calculations are carried out with Hückel, Hartree-Fock, and Brueckner molecular orbitals. The results clearly indicate that Sinanoǧlu's statement [1, 2], concerning the relative unimportance of the linked parts of the tetraexcited state coefficients in the ci expansion, is justified for these delocalized systems.
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  • 65
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    International Journal of Quantum Chemistry 3 (1969), S. 169-184 
    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 discuss the properties of one version of the least squares (LS) method for the solution of the Schrödinger equation. These properties are exemplified by a number of calculations on the n1S and n3S states of helium, up to principal quantum number three, which are very much more accurate than previous LS calculations on helium. Particular attention is paid to the convergence properties of the LS procedure and we compare it with the simpler Rayleigh-Ritz (RR) procedure in the case when the RR matrix elements are evaluated numerically over the same quadrature mesh as used in the LS procedure. We conclude that although the LS procedure is capable of high accuracy it has no advantages which would justify its sole use in place of the RR procedure. However, it does have some advantages when used in conjunction with RR, in that it gives an estimate of the numerical accuracy of the RR energies.
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  • 66
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    International Journal of Quantum Chemistry 3 (1969), S. 195-204 
    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 variational principle proposed by Hall [1] is shown to be a minimum principle for coulombic systems. Into this principle it is possible to admit a larger class of trial wave functions than is possible in the conventional variational treatment, including wave functions with discontinuities. It is further shown that the upper bounds given by this treatment are always at least as good as that given by the Rayleigh-Ritz method.The theory is then applied to the hydrogen atom and upper bounds to the energy are calculated for various “cutoff” wave functions. It is usually possible to define an optimum “cut off” distance which minimizes the upper bound.
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  • 67
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    International Journal of Quantum Chemistry 3 (1969), S. 205-218 
    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 biorbital theory called also “identical geminals theory” is applied to the study of a number of conjugated molecules. All basic integrals are determined by means of the Pariser-Parr-Pople procedure. The biorbital theory reproduces about 40 per cent of the correlation energy of the ground state of the molecule; this number is raised to about 70 per cent for the lowest triplet state. The low lying excited states are well represented from the point of view of transition energy as well as from the point of view of symmetry. The occupation number matrix and the charge-bond order matrix are defined and discussed. The overall chemical description of conjugated molecules produced by the biorbital theory is similar to that produced by other theories of electronic structure of molecules. It is concluded that the biorbital theory provides a description the quality of which is, roughly speaking, about half way between those provided by the SCF-MO and complete CI theories, respectively.
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  • 68
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The quantum theory of the Faraday effect or magnetic rotatory power is set up for diamagnetic molecules and is based upon a variation-perturbation method which, unlike the usual Dirac perturbation theory, needs only the knowledge of the wave function ψ0(0) of the ground state of the non-perturbed molecule. The principle of this theory includes in the expression of the perturbed wave function, vectors which characterize the contribution of the different fields of perturbation. The quantities which descríbe the Faraday effect, obtained from the calculation of the electric and magnetic macroscopic dipole moments, are expressed from ψ0(0) and the vectors precedently introduced. They are determined by a variation calculus.
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  • 69
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    International Journal of Quantum Chemistry 3 (1969), S. 445-483 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An earlier analysis of the canonical form of a pair of invertible operators obeying the exchange rule \documentclass{article}\pagestyle{empty}\begin{document}$$ AB = \omega BA $$\end{document} is extended to cover a set of operators, between each pair of which a relation of this type exists; and for which a power of each operator is the unit matrix. Such relations define a system which may be regarded as a generalization of the Dirac matrices of relativistic quantum mechanics. We concentrate upon the group theoretic aspects of such a system and its matrix representations. Applications arise from the fact that all projective representations of finite abelian groups take the form of a Dirac Group. In particular, the representations of the magnetic space groups, which are projective representations of the lattice groups, arise in this manner.
    Additional Material: 6 Tab.
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  • 70
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    International Journal of Quantum Chemistry 3 (1969), S. 485-487 
    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: It is emphasized that for the theoretical consideration of many problems of defect centers in crystals (especially of problems which need the correct asymptotic behavior of the wave functions) the semiempirical approach can be effective. As an example the spontaneous radiative time decay of the excited F-center in alkali halides is calculated by using the experimental energies of absorption and emission bands.
    Additional Material: 1 Tab.
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  • 71
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    International Journal of Quantum Chemistry 3 (1969), S. 503-511 
    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 ground state wave-function of a two electrons atom may be represented to any accuracy by a 1S projected Slater determinant built on hypercomplex spin-orbitals.
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  • 72
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Pauling's formulas for the calculation of matrix elements for valence bond functions are derived using a simple substitutional process. The results generalize and simplify the formulas. In particular, the formulas do not depend upon orthogonality of atomic orbitals nor upon the nature of the choice of bond structures (canonical or not). The results are particularly adaptable to automatic computation.
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  • 73
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    International Journal of Quantum Chemistry 3 (1969), S. 569-580 
    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: Vibronic coupling theory is used to construct the vibronic absorption spectrum of the ethylene dimer. It is shown that in this case an extended four-parameter form of the vibronic Hamiltonian should be considered. In addition to the commonly used three vibronic parameters, the difference between the ground and excited state force constants of the monomer is taken into account.Numerical calculations were performed for the dimer geometry resembling that of norbornadiene. Some comments on the interpretation of the absorption spectrum of norbornadiene are made.
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  • 74
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    International Journal of Quantum Chemistry 3 (1969), S. 553-568 
    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: Single-exponential functions of the forms 1s̄ = 1s, 2s̄ = N1(2s + b1s + a3s), 2p̄ = N2(2p + c3p) are introduced as an alternative to the Slater orbitals 1s, 2s, 2p for the atoms of the first period. The orbitals are intended for molecular calculations and the parameters a and c should be chosen in order to make the basis consistent with a given preliminary description of the molecule: see Part I, G. Del Re, Intern. J. Quantum Chem. 1, 293 (1967), but, first of all, a study of their behavior in atomic systems is necessary. Therefore orbital exponents and total atomic energies are determined by optimization: the promotion coefficients a and c are zero for best-atoms and the functions become strictly hydrogen-like orbitals. Comparisons are allowed with Slater's, Roothaan's, Ransil's and SCF orbitals.Given promoted 2s̄ and 2p̄ orbitals on carbon atoms in a carbon-carbon sigma bond, we fix the coefficient a and c in order to obtain one center sp orbitals orthogonal to one another. These are discussed, mapped and compared with the two center hybrids obtained by the Löwdin orthogonalization.
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  • 75
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    International Journal of Quantum Chemistry 3 (1969), S. 537-551 
    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 problem of evaluating the long range terms (electrostatic, polarization, dispersion) of the interaction energy between molecules at intermediate distances (i.e. distances of the order of magnitude of the molecular dimensions) is considered. Instead of being approximated by its dipole part, the exact interaction Hamiltonian is treated as proposed by Longuet-Higgins [11], i.e. the matrix elements are interpreted as electrostatic interactions between state and transition charge distributions. These charge distributions are approximated in a systematic way by sets of point charges (localized on the atoms) or sets of dipoles (localized on the bonds). The various contributions to the energy may then be expressed in terms of atomic net charges and bond polarizabilities. More refined approximations of the charge distributions could be used and correspondingly improved formulae could be derived: as an example, a formula for the σ-π dispersion energy is derived, where the σ charge distributions are approximated by bond transition dipoles (leading to σ bond polarizabilities in the final formula) while the π charge distributions are approximated by atomic charges.
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  • 76
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Using the Rayleigh-Schrödinger perturbation formalism, expressions are obtained for the nth order energy and the nth order wave function. No restrictions are placed on the degeneracy of the state or the order of perturbation in which the degeneracies are resolved. By the use of suitable operators, the formulae are expressed in compact form.
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  • 77
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    International Journal of Quantum Chemistry 3 (1969), S. 750-750 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 78
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    International Journal of Quantum Chemistry 3 (1969), S. 751-751 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 79
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    International Journal of Quantum Chemistry 3 (1969), S. 753-762 
    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 distribution of electronic charge in cubic boron nitride is investigated using the bond orbital wave functions recently calculated by Coulson and Doggett. Plots of the one-electron density function, in the (110) plane, are found to be insensitive to the choice of atomic basis functions, in contradistinction to the previously calculated effective atomic charges. A number of structure amplitudes are also calculated for each of the bond orbital wave functions.
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  • 80
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    International Journal of Quantum Chemistry 3 (1969), S. 767-780 
    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 explicit form of a projection operator constructed from a linearly dependent set is found. The relationships with canonical orthonormalization and with the cofactor matrix of the set's metric matrix are discussed. Similar expressions are obtained for the inner projection of a positive definite operator using a linearly dependent set.
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  • 81
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    International Journal of Quantum Chemistry 3 (1969), S. 795-822 
    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 correspondence rules between the algebra of coupling coefficients of the special unitary group SU(2) and the associated algebra of a subgroup G of SU(2) are presented. The matrix elements of the irreducible representations of G are written in a convenient quantization scheme and different relations between these matrix elements and the Clebsch-Gordan coefficients of G are derived. Such a formalism is appropriate for numerous spectroscopic problems. As an example, it is applied to crystal field theory and electron paramagnetic resonance. General formulas from which a large number of results are rederived and generalized in a straightforward fashion are given. Numerical values of coupling coefficients for the tetragonal and cubic groups are listed in the Appendix.
    Additional Material: 8 Tab.
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  • 82
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    International Journal of Quantum Chemistry 3 (1969), S. 1001-1012 
    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 mirror reflection symmetry which consists in the correlation of the substitution j → -j -1 with the reflection of the coordinate system and of m → -m with the reflection of the space with respect to the xy-plane has been applied to the quasi-spin formalism. The phases of the wave functions of the shell of equivalent atomic electrons treated as partially filled, as they relate to those when the same shell is treated as almost filled, have been established. The mirror reflection symmetry has been generalized for the supplementary quantum numbers used for distinguishing the terms of the same kind. The phases of the coefficients of fractional parentage of almost filled shell enabling us to determine them from those of partially filled shell have been specified. Corresponding phase relations for the matrix elements of operators have also been considered.
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  • 83
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    International Journal of Quantum Chemistry 3 (1969), S. 57-66 
    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: Variational upper and lower bounds for the overlap between an approximate and the true wave function are proposed, and it is shown that the error bounds introduced recently by Gordon are special cases of the variational formulas.
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  • 84
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    International Journal of Quantum Chemistry 3 (1969), S. 67-71 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Alternatives to the Mulliken method of partitioning the overlap charge density in self-consistent charge molecular-orbital calculations are examined. It is found that more realistic methods may lead to significantly different self-consistent charges, and different ordering of the electronic energy levels.
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  • 85
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    International Journal of Quantum Chemistry 3 (1969), S. 93-105 
    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 rotational projection operator previously introduced [12] serves here to build up an explicit formula for the non-relativistic energy associated with a spin-projected determinant. Corresponding orbitals are used throughout, and interchange of configuration space and Euler angles integrations provides rapidly an energy expression previously obtained either by use of Löwdin's projector (via first- and second-order density matrices (8)) or by mixed space and spin permutation operator (GF method (9)).
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  • 86
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    International Journal of Quantum Chemistry 3 (1969), S. 79-92 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The π-electron distributions, spin densities, and energies of the first triplets of the nucleotide bases, uracil, thymine, cytosine, adenine, and guanine, were investigated in various semiempirical approximations. Results are presented for calculations using the semiempirical form of the closed-shell SCF configuration interaction method, of the different orbitals for different spins (unrestricted Hartree-Fock) treatment, with and without spin projection, and of the Roothaan's open-shell procedure.
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  • 87
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    International Journal of Quantum Chemistry 3 (1969), S. 123-130 
    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 part of this paper gives an introduction of different kinds of atomic associations. Furthermore it will be shown that partial systems of united atoms are not only described by their nuclear-charge number, but additionally by their number of electrons. Both characteristics of a partial system of atomic associations may lead to an apparent multiple-valuedness in the transitions between atomic associations. It is shown that the multiple-valuedness of the atomic associations can be understood and eliminated within the Born-Oppenheimer-approximation, which leads to the concept “energyhypersurface”. An example is given by the system {He, H, H, H}+.
    Additional Material: 2 Ill.
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  • 88
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Polarization tensors are discussed in terms of their intrinsic symmetry group which is a direct product of the point group and the subgroup of the permutation group relevant to the experiment. The study of these latter groups is simplified by use of the isomorphism with certain point groups and permutations of suffixes can be visualized by rotations and reflections of the vertices of various objects in space. The approach unites the previous treatments and provides a means of constructing the bases for the irreducible tensor components. The difficulties introduced by Laplace's equation are explained and the information obtainable from induced birefringence experiments (Kerr and Cotton-Mouton effects) discussed for various systems.
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  • 89
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    International Journal of Quantum Chemistry 3 (1969), S. 246-247 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 90
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several classes of functions related to the Gaussian have been used with success as basis sets for the representation of atomic and molecular orbitals.We have compared the representation of a hydrogen 1s orbital by a sum of Gaussian lobe functions with its expansion in eigenfunctions of the three-dimensional isotropic harmonic oscillator. The lobe functions are shown to achieve better expectation values of the energy, with fewer terms. The lobe functions have the further computational advantage of not containing high powers of the radius.It is concluded that the lobe functions are a superior basis set for use in calculations of the electronic structure of atoms and molecules.
    Additional Material: 2 Tab.
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  • 91
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Methyl groups in flavins are best treated by the group-orbital approximation. The pseudo-heteroatom approximation overestimates methyl hyperconjugation with the Pariser-Parr-Pople SCF-MO method. Singlet π → π* transition energies are calculated by various MO methods with differing degrees of sophistication, and the results from the P—P—P method agree reasonably with the experimental values. 2- and 4-thioflavin analogs are also treated satisfactorily. The effects of position and number of the methyl groups on the spectra of flavins are described in detail. Rough estimates of the n → π* energies of flavins suggest that the lowest singlet excited state is (π, π*), consistent with the fluorescence and phosphorescence polarization data.
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  • 92
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    International Journal of Quantum Chemistry 3 (1969), S. 373-376 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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  • 93
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    International Journal of Quantum Chemistry 3 (1969), S. 327-347 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper examines the relationship between the topographical features of a molecular charge distribution and the kinetic energy of the system. Specifically, the spatial contributions to the kinetic energy are related to the Laplacian of the total charge density and to the gradients of the natural-orbital densities. It is concluded that a necessary requirement for molecular stability is the existence of a net negative curvature for the molecular charge distribution in the internuclear region. It is shown that the charge density accumulated in the internuclear region of a stable molecule is distributed in such a way as to keep the accompanying increase in the kinetic energy to a minimum. A comparison of the contributions to the kinetic energy from the atomic and molecular charge distributions indicates that in the formation of a stable molecule the contribution from the molecular charge density in the binding region is decreased relative to that of the atoms.
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  • 94
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    International Journal of Quantum Chemistry 3 (1969) 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 95
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have studied the validity of the traditional model of a dimer that has been treated exactly by Merrifield and Fulton and Gouterman, solving the vibronic coupled equations by a numerical method. This model takes into account the modification of the nuclear equilibrium configuration, but it neglects the variation of the force constant when the monomer is electronically excited from the fundamental to a given excited state (the corresponding electronic potentials are both considered as harmonic). We have shown by inspection of the absorption and fluorescence spectra calculated by solving the vibronic equation exactly that the variation force constant cannot be neglected, even if it is weak, particularly in the weak coupling region. The weak, intermediate and strong coupling criteria have been deduced, for the model studied, by examination of the dimeric electronic potential surfaces for different cases of intermolecular interactions.
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  • 96
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    International Journal of Quantum Chemistry 3 (1969), S. 489-492 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for the evaluation of the Fourier transform of two-center functions is presented.
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  • 97
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    International Journal of Quantum Chemistry 3 (1969), S. 493-501 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Expansions in terms of the spherical coordinates of two particles are given for the interparticle distance and its inverse. The expansions are characterized in that each term is a product of analytical one-variable functions. While it is possible to find acceptable expansions for r12, those obtained for r12-1 exhibit extremely slow convergence, unacceptable for practical use. The same objections must be raised against related expansions of multi-centered molecular integrals.
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  • 98
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    International Journal of Quantum Chemistry 3 (1969), S. 513-521 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A translation is made of spin projection methods into the language of second quantization. This leads to a new formula for the Sanibel coefficients and expressions convenient to use for automatic calculation of spin projections.
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  • 99
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    International Journal of Quantum Chemistry 3 (1969), S. 535-535 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 100
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    International Journal of Quantum Chemistry 3 (1969) 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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