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  • 1980-1984  (1,812)
  • Computational Chemistry and Molecular Modeling  (1,667)
  • Immunohistochemistry
  • Nuclear reactions
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Year
Keywords
  • 1
    Electronic Resource
    Electronic Resource
    Immunohistochemical reactivity of a monoclonal antibody prepared against human breast carcinoma (1984)
    Springer
    Virchows Archiv 402 (1984), S. 389-404 
    Details
    ISSN: 1432-2307
    Keywords: Monoclonal antibody ; Immunohistochemistry ; Human breast carcinoma ; Epithelial cell marker
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The reactivity profile of an IgM monoclonal antibody, MBR1, raised against the human breast cancer cell line MCF7, was studied in a variety of human tumours and non-neoplastic tissues by light microscopic immunohistochemistry. The range of reactivity included specific types of non-neoplastic epithelial cells and a number of epithelial tumours. Most mammary carcinomas reacted with MBR1, but adenocarcinomas and squamous carcinomas from different sites were also strongly positive. Different patterns of immunoreactivity were apparent in microscopically normal tissues, in tissues with inflammatory changes and in carcinomas. Heterogeneous staining, despite morphological similarities, was documented in neoplastic and non-neoplastic epithelial cells. The reactivity of MBR1 was different from that reported for other monoclonal antibodies, but revealed similarities to that of monoclonal antibodies and polyclonal sera against human milk fat globule membrane.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00734636
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  • 2
    Electronic Resource
    Electronic Resource
    S-100 protein distribution in liposarcoma An immunoperoxidase study with special reference to the distinction of liposarcoma from myxoid malignant fibrous histiocytoma (1984)
    Springer
    Virchows Archiv 405 (1984), S. 1-10 
    Details
    ISSN: 1432-2307
    Keywords: Liposarcoma ; Malignant fibrous histiocytoma ; Soft tissue neoplasms ; S-100 protein ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract The presence and distribution of S-100 protein were studied in 63 cases of liposarcoma and 20 cases of myxoid malignant fibrous histiocytoma (MFH), using the immunoperoxidase technique. Normal adipose tissue and benign lipomatous tumours were also studied by the same technique, for purposes of comparison. In all liposarcomas, most of the adipocytes and vacuolated lipoblasts were positive for S-100 protein, although the tumour cells in non-lipogenic areas of dedifferentiated liposarcoma and the non-vacuolated giant cells with a deeply eosinophilic cytoplasm in the pleomorphic liposarcomas were devoid of S-100 protein immunoreaction products. One third of the myxoid type liposarcomas contained numerous immunoreactive, immature-appearing spindle or oval cells, reminiscent of the primitive fat organs of white adipose tissue. Conversely, none of the myxoid MFHs contained S-100 protein in the tumour cells, including the irregularly vacuolated ones. These results suggests that the immunohistochemical demonstration of S-100 protein is a useful diagnostic tool, particularly for the assessment of vacuolated tumour cells and for the diagnosis of myxoid tumours.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00694921
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  • 3
    Electronic Resource
    Electronic Resource
    Immunohistochemical study on the liver in autopsy cases with disseminated intravascular coagulation (DIC) with reference to clinicopathological analysis (1984)
    Springer
    Virchows Archiv 404 (1984), S. 229-241 
    Details
    ISSN: 1432-2307
    Keywords: Disseminated intravascular coagulation ; Liver lesions ; Thrombosis ; Immunohistochemistry ; Fibrin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Immunohistochemical and clinicopathological studies were performed in 27 autopsy cases with indisputable DIC, which had been selected from 1,800 autopsy cases of elderly people based on the following two criteria; 1. presence of fibrin thrombi in glomeruli, and 2. presence of fresh patchy necrotic foci in myocardium and/or fibrin thrombi in splenic sinuses. A high incidence of liver lesions (22/27) was revealed in autopsy cases with indisputable DIC. The liver lesions could be classified into four groups. Group-I (Central degeneration) was characterized by massive precipitation of fibrin irregularly around the central vein, causing parenchymal damage. Group-II (Central necrosis), showed coagulation necrosis in the cental zone due to circulatory disturbance caused by either shock as a cause of DIC or abrupt cessation of blood flow into the lobules following fibrin thrombus formation in vessels of Glisson's sheath. Both group-I and -II showed a short clinical duration of DIC. Group-III (Sinusoidal thrombosis), showed the presence of fibrin thrombi in sinusoids with mild parenchymal damage and long clinical duration of DIC. Group-IV (No thrombosis), showed neither parenchymal damage nor fibrin thrombi in sinusoids, but a long clinical duration of DIC.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00694889
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  • 4
    Electronic Resource
    Electronic Resource
    Immunohistochemical demonstration of cytokeratins in endocrine cells of the human pituitary gland and in pituitary, adenomas (1984)
    Springer
    Virchows Archiv 404 (1984), S. 359-368 
    Details
    ISSN: 1432-2307
    Keywords: Immunohistochemistry ; Pituitary gland ; Pituitary adenomas ; Cytokeratins ; Intermediate filaments
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Ten non-neoplastic pituitary glands and 22 pituitary adenomas producing different hormones were studied by immunofluorescence microscopy as well as peroxidase-antiperoxidase and biotin-avidin techniques on frozen sections and formalin-fixed, paraffin-embedded material using antibodies to cytokeratin, vimentin, GFAP, neurofilament protein and different pituitary hormones. The endocrine cells in non-neoplastic pituitary glands as well as in most pituitary adenomas were cytokeratin-positive. The cytoplasmic cytokeratin distribution patterns of non-neoplastic and tumor cells were similar and typical of the type of hormone produced: GH-producing normal cells showed a paranuclear condensation of cytokeratin-reactive intermediate filaments; this accumulation was even further accentuated in GH-producing adenomas resulting in fibrous bodies (Kovacs and Horvath 1978) decorated by cytokeratin antibodies. Prolactin-producing cells showed a less intense cytoplasmic cytokeratin-specific staining with focal paranuclear accentuation in non-neoplastic as well as in neoplastic glands. ACTH-producing cells in normal pituitary glands as well as in adenomas exhibited a strong and more uniform cytoplasmic cytokeratin staining. The cytokeratin reactivity in glycoprotein hormone-producing cells of non-neoplastic tissue and adenomas was weak. Vimentin and GFAP reactivity was confined to agranular folliculo-stellate cells. The specific and different distribution patterns of cytokeratins in pituitary cells can, therefore, provide an (indirect) indication to the production of a specific hormone if immunocytochemistry fails to demonstrate hormone production.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00695220
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  • 5
    Electronic Resource
    Electronic Resource
    Elephantiasis neuromatosa (1984)
    Springer
    Virchows Archiv 404 (1984), S. 427-434 
    Details
    ISSN: 1432-2307
    Keywords: Elephantiasis neuromatosa ; Neurofibromatosis ; Electron microscopy ; Immunohistochemistry ; S-100 protein
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary An example of elephantiasis neuromatosa, an unusual variant of neurofibromatosis, coexistent with lipomatosis is presented. This dual cell population produced a diffuse swelling of the gluteal sulcus of a young female. The neurogenous origin of the spindle cell component was substantiated by immunoreactivity for S-100 protein as well as by the fine structural observation of a regular basement membrane coating and a profusion of Luse bodies. As far as can be ascertained, this is the first reported immunohistochemical and ultrastructural study of this particular variant of peripheral nerve sheath lesion.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00695226
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  • 6
    Electronic Resource
    Electronic Resource
    Immunohistochemistry of carcinoembryonic antigen, secretory component and lysozyme in benign and malignant common bile duct tissues (1984)
    Springer
    Virchows Archiv 403 (1984), S. 271-280 
    Details
    ISSN: 1432-2307
    Keywords: Carcinoembryonic antigen ; Secretory component ; Lysozyme ; Immunohistochemistry ; Common bile duct
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary An immunoperoxidase technique has been utilized for the localization of carcinoembryonic antigen (CEA), Secretory component (SC) and lysozyme (LZ) in normal and cancerous common bile duct tissues. Little or no CEA was found in the non-cancerous common bile duct tissues. SC was found in the surface epithelium and accessory gland epithelium and LZ was demonstrated only in the accessory glands. Some inflammatory cells were also positively stained for LZ. In adenocarcinoma, CEA was always present on the luminar border of the carcinoma cells, occasionally with intercellular and intracellular localization. LZ was absent, or only faintly detected in carcinoma. SC was generally distributed in well-differentiated adenocarcinoma cells, but showed a reduced intensity of staining with progressive dedifferentiation. These findings suggest that CEA, SC and LZ could be useful markers providing valuable information in the pathological diagnosis of bile duct carcinoma.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00694903
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  • 7
    Electronic Resource
    Electronic Resource
    Granular cell tumour of the mammary gland simulating malignancy (1984)
    Springer
    Virchows Archiv 403 (1984), S. 391-400 
    Details
    ISSN: 1432-2307
    Keywords: Immunohistochemistry ; Electron microscopy ; Light microscopy ; Granular cell tumour ; Mammary gland neoplasm
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Primary granular cell tumours of the breast in 35 2and 55 year old women were studied by light microscopy, transmission electron microscopy and immunohistochemistry. Light and electron microscopy revealed a neural origin of the tumours and this was further substantiated by immunohistochemical studies, with positive S-100 protein reaction and negative reactions for surface heavy and light chains, CEA, alfa-1-antitrypsin, muramidase and GFA-protein. Granular cell tumour of the mammary gland is a very rare tumour. Clinically it sometimes simulates carcinoma because of its fibrous consistency, fixation to pectoral fascia and skin retraction. The diagnosis of granular cell tumour should be included in the differential diagnosis of carcinoma of the breast. The granular cell tumour is derived from neuro-ectodermal tissue. Whether it represents a neurogenic cell-confined metabolic disturbance with lysosomal activation, or a true neoplasm remains to be elucidated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00737288
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  • 8
    Electronic Resource
    Electronic Resource
    A method for T-antigen demonstration by a polyclonal antibody and peanut lectin; elimination of cross-reaction with naturally occurring antibodies (1984)
    Springer
    Virchows Archiv 404 (1984), S. 159-166 
    Details
    ISSN: 1432-2307
    Keywords: T-antigen ; Peanut lectin ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Antisera and a lectin were used to demonstrate T-antigens in colorectal carcinomas. Rabbits were immunized with red blood cells on which the T-antigen had been exposed. The obtained polyclonal antiserum and a crude lectin (PNA) prepared from peanuts were used in an immunoperoxidase technique. The crude lectin and a chromatographic pure lectin showed the same staining specificity. Different fixatives, length of fixation and buffer compositions were tested on paraplast and frozen sections. Four per cent formaldehyde preserved the antigens well in paraplast embedded tissues when fixation was shorter than 48 h. In the immunoperoxidase technique the chromatogen used was 3-amino-9-ethyl-carbazole whose staining intensity was sensitive to the H2O2 concentration. Agglutination of T-exposed red blood cells was used to assess the anti-T titre of various sera. Normal animal serum contained anti-T antibodies, and the possibility of false positive reactions and methods to avoid it in immunohistochemistry is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00704060
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  • 9
    Electronic Resource
    Electronic Resource
    Sexual differences in the topographical distribution of serotonergic fibers in the anterior column of rat lumbar spinal cord (1984)
    Springer
    Anatomy and embryology 170 (1984), S. 117-121 
    Details
    ISSN: 1432-0568
    Keywords: Sexual dimorphism ; Serotonin fibers ; Lumbar cord ; Cremaster ; Immunohistochemistry ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Sexual dimorphism in the topographical organization of immunoreactive serotonergic fibers has been shown for the first time in the anterior column of the rat lumbar cord. A characteristic preferential arrangement of serotonergic fibers on the small cell column composed of anterior horn motoneurons, which have been proved to send their axons to the cremaster muscle, was demonstrated at the lumbar segments (L1–L2) of male rats, using the immunoperoxidase technique with antiserum against serotonin. A similar finding was also observed in female rats, but was less prominent than in males. Comparative analysis of the cell numbers and the size of neuronal somata of the aforementioned nucleus, done using retrograde transport of fluorescent dye (DAPI) via axonal fibers coursing down the genitofemoral nerve to the cremaster muscle, gave significantly larger values in males. The sexual difference in the serotonergic innervation pattern was, in consequence, surmised to be caused by the cytoarchitectonic contrast ascertained in the lumbar anterior column. Furthermore, there may be a striated muscle endowed with some active functions homologous to those of the male cremaster muscle in the female rat.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00318995
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  • 10
    Electronic Resource
    Electronic Resource
    Immunohistochemical localization of neurofilament protein in neuronal degenerations (1984)
    Springer
    Acta neuropathologica 64 (1984), S. 30-36 
    Details
    ISSN: 1432-0533
    Keywords: Neurofilament ; Neuronal degeneration ; Neurofibrillary changes ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The immunohistochemical localization of human neurofilament proteins was studied in a variety of neuronal changes by the peroxidase-antiperoxidase method using antisera raised against each of the subunit proteins of human neurofilament. Torpedoes of the cerebellum, axonal spheroids of amyotrophic lateral sclerosis as well as of infantile neuroaxonal dystrophy, and neurofibrillary changes in a case of Pick's disease were consistently immunostained. Occasionally, a positive immunoreactivity was also observed in Lewy bodies, in neurofibrillary tangles of progressive supranuclear palsy, and in neuritic processes of senile plaques. Neurofibrillary tangles of Alzheimer type and Pick's bodies, however, did not react with the antisera. These data indicate that the human neurofilament doesnot share major antigenic determinants of its subunit protein with either Alzheimer's neurofibrillary tangles or Pick's bodies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00695603
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  • 11
    Electronic Resource
    Electronic Resource
    Systemic amyloid myopathy — Light-microscopic and fine-structural study of the skeletal muscles with histochemical and immunohistochemical study of amyloid (1984)
    Springer
    Acta neuropathologica 64 (1984), S. 114-121 
    Details
    ISSN: 1432-0533
    Keywords: Amyloid myopathy ; Skeletal muscle ; Histology ; Immunohistochemistry ; Fine structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Studies were made on skeletal muscles obtained by biopsy and autopsy from a 59-year-old man with immunocyte dyscrasia and amyloidosis; he had progressive muscular stiffness with palpable tumors and ϰ-type Bence-Jones protein, but no overt myeloma. Histologically, much amyloid was seen deposited preferentially in the skeletal muscles, especially in the endo- and perimysia, forming tumors of various sizes and occasionally associating influx of amyloid into some muscle fibers, and in the smaller-sized blood vessel walls, frequently associated with extreme narrowing or occlusion of their lumina. Most muscle fibers were replaced by much amyloid or showed extensive atrophy, having a characteristic circular space under the endomysium, which was concluded to be not due to compression atrophy but to ischemic atrophy. Ischemic neuropathy was observed and seemed to be responsible for the diffuse atrophy without spaces seen exceptionally in some parts. Amyloid was shown histochemically to contain AL as the major protein component, immunohistochemically to have a close relation with ϰ-type light chain, and fine-structurally to be formed just outside the basement membrane of the blood vessels and deposited in the endo- and perimysia through perivascular infiltration. The clinicopathologic features of nine similar autopsy cases in the literature were compared with those in the present case. The causes of damage in muscle fibers and of preferential deposition of amyloid in the skeletal muscles were discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00695574
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  • 12
    Electronic Resource
    Electronic Resource
    Reduced substance P-like immunoreactivity in hereditary sensory neuropathy of Pointer dogs (1984)
    Springer
    Acta neuropathologica 63 (1984), S. 33-40 
    Details
    ISSN: 1432-0533
    Keywords: Hereditary sensory neuropathy ; Substance P ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Two unrelated Pointer dogs, each from a breeding of normal parents which produced three affected pups in a litter of nine, began to bite their paws at 3 and 5 months of age. Insensitivity to painful stimuli was marked in the distal parts of the limbs and receded proximally. The affected dogs were euthanatized at 5 and 20 months because of acral mutilation and infection. Changes affecting the primary sensory neurons included: small spinal ganglia with reduced numbers of cell bodies, degeneration of unmyelinated and myelinated fibers in dorsal roots and peripheral nerves, and reduced fiber density in the dorsolateral fasciculus (dlf). Since nociceptive loss was the salient deficit in a neuropathy affecting primary sensory neurons, immunohistochemical studies focused on substance P, the undecapeptide imputed to mediate nociception at the first synapse in the spinal cord and brain. The localization and density of substance P-like (SPL) immunoreactivity was studied in three control dogs and the two Pointers by the indirect antibody peroxidase-antiperoxidase method. The spinal intumescences of the control dogs contained dense SPL-immuno-reactivity in fibers of the dlf and the superficial laminae of the dorsal horn (i.e., laminae I, II, and the dorsal part of III). Immunoreactive fascicles on the lateral aspect of the dorsal horn and in the reticular process sent contributions medially to a plexiform fiber arrangement in lamina V. Medially, SPL-immunoreactive fibers were more loosely arranged in the internal third of laminae VI and VII and in lamina X. In the Pointers, the loss of primary sensory neurons was associated with notable reduction of SPL staining in the dlf and superficial laminae of the dorsal horn. In the lumbar intumescence of the older Pointer greater preservation of SPL staining in the lateral third of laminae I and II was consistent with somatotopic termination of trunkal afferents in this region. In both Pointers there was no detectable decrease in trigeminal sensitivity and the SPL immunoreactivity in the spinal nucleus of the trigeminal nerve of the younger Pointer and the corresponding control dog appeared equivalent. In the older Pointer, however, the immunoreactivity in this nucleus was decreased relative to the control. This decrease and appearance of scattered fiber degeneration in the dorsal columns of the mature Pointer suggested that fiber degeneration progresses slowly with age to include sensory systems not affected in early postnatal life. The findings in the Pointers were compared with those made in immunohistochemical studies of SP in familial dysautonomia and the mutilated foot rat.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00688468
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  • 13
    Electronic Resource
    Electronic Resource
    Amyloid-like (Congophilic) neurofibrillary tangles do not react with neurofilament antisera in Alzheimer's cerebral cortex (1984)
    Springer
    Acta neuropathologica 64 (1984), S. 243-250 
    Details
    ISSN: 1432-0533
    Keywords: Neurofibrillary tangles ; Paired helical filaments ; Amyloid-like ; Neurofilaments ; Alzheimer's disease ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The immunohistological properties of Alzheimer's neurofibrillary tangles (NFT) were studied by immunofluorescence with neurofilament (NF) antisera and with antiserum raised to paired helical filaments (PHF) in NFT preparations, brain smears, and cryostat sections. NFT decorated by NF antisera were Congo red-negative. Conversely, PHF antisera stained Congo red-positive NFT but failed to decorate NF-positive NFT. It is concluded that NF do not cross react with typical NFT, i.e., NFT displaying amyloid-like birefringence, under the conditions reported in this study.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00688115
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  • 14
    Electronic Resource
    Electronic Resource
    Distribution of serotonin-immunoreactivity in the diencephalon and mesencephalon of the trout, Salmo gairdneri (1984)
    Springer
    Anatomy and embryology 169 (1984), S. 193-204 
    Details
    ISSN: 1432-0568
    Keywords: Teleosts ; Serotonin ; Immunohistochemistry ; Diencephalon
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In this paper the serotonin-containing neurons in the diencephalon and mesencephalon of the trout have been studied by immunocytochemistry. Serotonin-immunoreactive perikarya, fibres and terminals were visualized by using well-characterized antibodies to serotonin. Six areas could be demonstrated to contain serotonin-immunoreactive cellbodies. 1. A group of cells, situated ventral to the commissura posterior; 2. A region within the confines of the nucleus recessi lateralis and a few scattered cells dorsally to this nucleus; 3. Neurons, situated ventral to the recessus lateralis hypothalami, within the nucleus tuberis inferior; 4. Cells which are situated within the borders of the nucleus recessi posterioris; 5. A number of cells, situated within the nucleus raphes superior and finally: 6. Perikarya, located dorsolateral to the nucleus raphes superior. The following three regions showed a very high density of serotonin-immunoreactive fibres and terminals: A. the most dorsal portion of the nucleus diffusus tori lateralis; B. the area dorsal to the recessus lateralis and C. the area surrounding the recessus posterior.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00303149
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  • 15
    Electronic Resource
    Electronic Resource
    Immunohistochemical demonstration of the serotonin neuron system in the central nervous system of the bullfrog, Rana catesbeiana (1984)
    Springer
    Anatomy and embryology 169 (1984), S. 219-229 
    Details
    ISSN: 1432-0568
    Keywords: Serotonin ; Immunohistochemistry ; Central nervous system ; Frog
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The distribution of serotonin immunoreactivity in the brain of the bullfrog (Rana catesbeiana) was studied, using the peroxidase-antiperoxidase (PAP) immunohistochemical method with serotonin antiserum. The somata of the serotonin neurons were mainly located in the raphe regions of the brain stem from the level of the caudal mesencephalon to that of the spinomedullary junction. A small number of serotonin neurons were also distributed as crebrospinal-fluid contacting neurons in the preoptic recess organ (PRO), the paraventricular organ (PVO), and the nucleus infundibularis dorsalis (Nid). In the raphe region, these serotonin neurons formed nearlycontinuous bilaterally-symmetrical cell columns along the caidline of the brain stem, divided into lateral and medial groups. The medial group was further subdivided into rostral and caudal parts. Processes of the serotonin neurons were widely distributed in the central nervous system, forming dense networks in various regions. The greates concentrations of these fibers were in the nucleus medialis speti, lateral portion of striatum, nucleus corporis geniculi, nucleus entopeduncularis, periventricular gray of ventral hypothalamus, optic tectum, nucleus isthmi, nucleus interpeduncularis, dorsal edge of medulla oblongata, and fasciculus solitarius.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00315627
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  • 16
    Electronic Resource
    Electronic Resource
    Immunohistochemical localization of cardiodilatin in myoendocrine cells of the cardiac atria (1984)
    Springer
    Anatomy and embryology 170 (1984), S. 123-127 
    Details
    ISSN: 1432-0568
    Keywords: Heart Atrium ; Myoendocrine cells ; Cardiodilatin ; Peptide hormone ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Region-specific antibodies against synthetic N-terminal fragments of cardiodilatin (CDD) were raised in rabbits and used for the immunohistochemical detection of this new peptide hormone in the myoendocrine cells within the cardiac atria of several species. The peroxidase-antiperoxidase (PAP) and fluorescein isothiocyanate (FITC) immunohistochemical methods gave identical results of cardiodilatin-immunoreactivity (CDD-IR) within the tissue. In addition to the porcine right atrial appendage, myoendocrine cells with CDD-IR were also detected in the left atrium of porcine heart, as well as in other species such as dog and cat. The exact localization of the immunoreactivity in specific secretory granules was mostly related to the Golgi-area which is located on both nuclear poles of auricular myoendocrine cells. The results confirm that cardiodilatin is stored in secretory granules observed through electron microscopical means. This hormone is most likely synthesized and released in myoendocrine cells, exerting its important cardiovascular effects.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00318996
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  • 17
    Electronic Resource
    Electronic Resource
    Serotonin nerve fibers in the primary visual cortex of the monkey (1984)
    Springer
    Anatomy and embryology 169 (1984), S. 1-8 
    Details
    ISSN: 1432-0568
    Keywords: Serotonin ; Primary visual cortex ; Monkey ; Ultrastructure ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A quantitative and immunoelectronmicroscopical analysis of serotonin nerve fibers in the primary visual cortex of the monkey (Macaca fuscata) was made using a sensitive immunoperoxidase method for serotonin. The overall numerical density of serotonin-containing varicosities in the primate striate cortex was approximately 770,000/mm3 and the highest concentration of immunore-active varicosities (ca. 1,400,000/mm3) was observed in the upper portion of layer IVc, the next highest concentration being in layer IVb (ca. 1,180,000/mm3). At the ultrastructural level, the electron dense immunoreactive products were observed in the small granules (10–65 nm in diameter). The varicosities were usually small (0.5–1.0 μm in diameter) and made contact with both stellate and pyramidal cells. Serotonin fibers were often in close apposition to the poorly myelinated axons in layers IVb, V, and VI, and they rarely formed distinct synaptic structures with unlabelled neuronal elements.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00300581
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  • 18
    Electronic Resource
    Electronic Resource
    An immunohistochemical study of somatostatin and neurotensin positive neurons in the septal nuclei of the rat brain (1984)
    Springer
    Anatomy and embryology 170 (1984), S. 1-10 
    Details
    ISSN: 1432-0568
    Keywords: Somatostatin ; Neurotensin ; Immunohistochemistry ; Septum ; Basal forebrain ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Antibodies to the neuropeptides somatostatin (SOM) and neurotensin were used to study the distribution of the two peptides within the septum of the rat brain. In colchicine treated rats, numerous somatostatin-positive cell bodies were found in the dorsal and ventral subdivisions of the alteral septum, along the border of the nucleus accumbens, in the ventral tip of the horizontal limb of the diagonal band of Broca as well as in the anterior hippocampal rudiment, infralimbic area and several other structures of the basal forebrain (e.g., nucleus accumbens, olfactory tubercle and substantia innominata). Cell bodies containing immunoreactivity for neurotensin were situated in the intermediate and ventral subdivisions of the lateral septum, the medial septal nucleus, the diagonal band of Broca, the rostro-medial continuation of the substantia innominata and the olfactory tubercle. In untreated rats, somatostatin positive processes formed terminal plexuses in the medial septal nucleus and along an area close to the ventricular wall of the lateral ceptal nucleus. Other septal nuclei, such as the diagonal band of Broca contained a sparse innervation by somatostatin positive fibers. In contrast, the nucleus accumbens olfactory tubercle, and the substantia innominata contained a rich innervation by somatostatin positive axons and terminals. Within these structures the density of SOM positive processes show great variations with patches of densely packed terminals separated by areas of sparser or no innervation. The neurotensin positive terminals were situated predominantly within the intermediate part of the lateral septum and the medial septal nucleus. Both of these regions contained numerous pericellular baskets of neurotensin positive terminals around septal neurons. In addition to the septal innervation, several of the basal forebrain structures were rich in neurotensin positive processes with the densest innervation found in the nucleus accumbens and substantia innominata. Like the SOM-immunoreactivity distinct islands of dense neurotensin innervation separated by less or no innervation occur throughout the basal forebrain. Taken together, these findings suggest that somatostatin and neurotensin occur in separate neuronal populations and that each may influence important physiological functions within the individual septal nuclei.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00319452
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  • 19
    Electronic Resource
    Electronic Resource
    Langerhans cells in various benign and malignant pigment-cell lesions of the skin (1984)
    Springer
    Archives of dermatological research 276 (1984), S. 283-287 
    Details
    ISSN: 1432-069X
    Keywords: Langerhans cells ; Immunohistochemistry ; Pigment-cell lesions ; Skin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary We used immunohistochemistry to study Langerhans cells (LCs) and the composition of the dermal inflammatory infiltrate both in normal skin and in biopsies from various benign and malignant pigment-cell lesions. In normal skin and most benign pigment-cell lesions, epidermal LCs are regularly distributed. OKT6-Positive cells outnumber the OKIa-positive cells. The inconspicuous dermal infiltrate studied in these biopsies was composed of helper and suppressor/cytotoxic T cells and some dermal LCs. More epidermal LCs with an abnormal cytologic presentation were found in a halo naevus and in the radial growth part of primary malignant melanomas. This finding was associated with a dermal infiltrate composed of suppressor/cytotoxic T cells, suggesting a defense mechanism of the host towards abnormal melanocytes. Epidermal LCs were rare in the central part of the biopsies which showed a primary malignant melanoma in its vertical growth. A dermal inflammatory infiltrate was absent in that area. These findings are interpreted as the morphologic expression of a damaged immune system.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00404618
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  • 20
    Electronic Resource
    Electronic Resource
    The structure of pseudomeissnerian corpuscles (1984)
    Springer
    Acta neuropathologica 63 (1984), S. 174-176 
    Details
    ISSN: 1432-0533
    Keywords: Pseudomeissnerian corpuscles ; Neurofibroma ; Giant nevus ; Immunohistochemistry ; S-100 protein
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Immunohistochemical staining for S-100 protein was carried out on one case of von Recklinghausen's neurofibroma and one of giant congenital nevus. Uniformly positive staining was ootained in all cells of the numerous pseudomeissnerian corpuscles in both cases. These structures thus appear, like the true Wagner-Meissner tactile nerve endings, to consist entirely of Schwann cells and not to contain any demonstrable perineurial component.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00697200
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  • 21
    Electronic Resource
    Electronic Resource
    Borna disease of horses (1984)
    Springer
    Acta neuropathologica 64 (1984), S. 213-221 
    Details
    ISSN: 1432-0533
    Keywords: Encephalitis ; Borna disease virus ; Immunohistochemistry ; Axonal transport ; Cytoplasmic filaments
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The brains of eight horses that had suffered from natural Borna disease were examined with virologic, immunohistological, and electron-microscopic methods. All brains harbored infectious virus as shown by inoculation of experimental animals. Regional assessment of the infectivity exhibited the highest titers in the hippocampus and piriform cortex and the lowest in the cerebellum. Coventional histology yielded pathologic alterations very similar to those of the classical description of the disease. Immunohistology demonstrated the highest amounts of Borna disease virusspecific antigen in the nuclei of neurons. In the perikarya, dendrites, and axons smaller amounts of antigen were found. A comparison of the antigen distribution with the inflammatory reaction established a high concordance of these two parameters. The presence of virus-specific antigen seems to trigger the exsudation of inflammatory cells, which reflect the extension of the infectious process. Heavy inflammatory exsudates in the white matter underlying diseased cortical areas can be explained by the axonal presence of virus-specific antigen. Virus particles could not be demonstrated with the electron microscope. The most significant findings at the ultrastructural level were stacks of fine filaments, adhering closely to cytoplasmic cisterns. These structures might be related to virus components or might be involved in virus morphogenesis.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00688111
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  • 22
    Electronic Resource
    Electronic Resource
    GFAP, FVIII/RAg, Laminin, and fibronectin in gliosarcomas: An immunohistochemical study (1984)
    Springer
    Acta neuropathologica 63 (1984), S. 108-116 
    Details
    ISSN: 1432-0533
    Keywords: Gliosarcoma ; Immunohistochemistry ; GFAP ; Factor VIII/RAg ; Laminin ; Fibronectin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary GFAP, Factor VIII/RAg, laminin, and fibronectin were immunohistochemically investigated in 15 glioblastomas and 15 gliosarcomas. GFAP was found variably positive in the glial areas. F VIII/RAg characterizes the endothelial cells and in gliosarcomas suggests the origin of the sarcomatous component from the endothelial proliferations. Laminin separates the two components and characterizes the inner and the outer basement membranes in the vessels. It is multiplied and thickened in endothelial proliferations, while it is often fragmented in the larger vessel wall proliferations. Our observations confirm that gliosarcoma represents the last stage of a process which starts with the endothelial hyperplasia of glioblastoma.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00697192
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  • 23
    Electronic Resource
    Electronic Resource
    Immunohistochemistry of folliculo-stellate cells in normal human adenohypophyses and in pituitary adenomas (1984)
    Springer
    Acta neuropathologica 65 (1984), S. 35-40 
    Details
    ISSN: 1432-0533
    Keywords: Immunohistochemistry ; Folliculo-stellate cells ; Pituitary gland ; Pituitary adenoma ; S-100 protein
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Presence and distribution of S-100 protein (S-100), neuron-specific enolase (NSE), cytokeratin polypeptides, glial fibrillary acidic protein (GFAP), vimentin, actin, lysozyme and pituitary hormones (prolactin, hGH, ACTH, β-FSH, β-LH, β-TSH, alpha subunit) in folliculo-stellate cells (FSC) were studied in seven normal human pituitary glands and 28 pituitary adenomas using peroxidase-antiperoxidase and the avidin-biotin immunohistochemical techniques. Approximately 5% of the cells of the adenohypophysis were agranular, non-hormon-producing FSC most of which showed a conspicuous and strong reaction with S-100 antibodies but some were, in addition, GFAP- and vimentin-positive. In contrast to endocrine cells (EC), FSC were not decorated by antibodies to NSE or cytokeratins. In addition to supportive functions, these cells, due to their close special relationship to EC, seem to have transport and other metabolic functions yet to be elucidated. By their S-100 reactivity and their distribution FSC are comparable to glial cells of the central and schwann and satellite cells of the peripheral nervous system (PNS) as well as to supportive cells in neuroendocrine organs and related tumors (e.g., pheochromocytomas, paragangliomas, carcinoids). With one exception, S-100 reactive FSC were not found in pituitary adenomas. The immunohistochemical demonstration of S-100 protein in pituitary tissue is, therefore, a reliable aid in the discrimination between adenomas and normal pituitary tissue, particularly in small and poorly preserved specimens. In one adenoma FSC were found in addition to ACTH-producing tumor cells. This seems to be an extremely rare event suggesting a combination tumor.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00689825
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  • 24
    Electronic Resource
    Electronic Resource
    Immunohistochemical localization of extravasated serum albumin in the hippocampus of human subjects with partial and generalized epilepsies and epileptiform convulsions (1984)
    Springer
    Acta neuropathologica 65 (1984), S. 25-34 
    Details
    ISSN: 1432-0533
    Keywords: Blood-brain barrier ; Immunohistochemistry ; Astrocyte ; Epilepsy ; Hippocampus
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Human serum albumin-like immunoreactivity was detected by the peroxidase-antiperoxidase method in histological sections of the hippocampus from epileptic and control brains obtained on routine autopsies. In the hippocampi of epileptic patients immunoreactive astrocytes were found, the number of which was increasing with the severity of the manifest convulsions. The highest numbers of immunoreactive astrocytes were observed in those patients who died in status epilepticus. Hippocampi from control patients with no neurologic disorders in life were devoid of immunoreactive astrocytes. The results are discussed in terms of the breakdown of the blood-brain barrier during epileptic seizures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00689824
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  • 25
    Electronic Resource
    Electronic Resource
    Endocrine cells in extrahepatic bile duct carcinoma (1984)
    Springer
    Journal of cancer research and clinical oncology 108 (1984), S. 331-335 
    Details
    ISSN: 1432-1335
    Keywords: Extrahepatic bile duct ; Carcinoma ; Endocrine cell ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary A total of 44 extrahepatic bile duct carcinomas comprising 13 well-differentiated adenocarcinomas, 25 moderately differentiated adenocarcinomas, and 6 poorly differentiated adenocarcinomas were examined histologically and immunohistochemically for somatostatin, gastrin, and glicentin. Argyrophil cells, argentaffin cells, and somatostatin- and gastrin-immunoreactive cells within the tumor were detected in 46.2%, 15.4%, 23.1%, and 15.4% of well-differentiated adenocarcinomas, and in 16.0%, 8.0%, 12.0%, and 4.0% of moderately differentiated adenocarcinomas, respectively. No tumor tissues of poorly differentiated adenocarcinomas contained endocrine cells. A statistically significant difference in the frequency of argyrophil cells was observed between well and poorly differentiated adenocarcinoma. The incidence of argyrophil cells and somatostatin-immunoreactive cells in nonneoplastic mucosa adjacent to well-differentiated adenocarcinoma was higher than in that adjacent to poorly differentiated adenocarcinoma. Glicentin-immunoreactive cells could not be demonstrated either in tumor tissue or in nonneoplastic mucosa of the extrahepatic bile duct. With reference to the histogenesis of extrahepatic bile duct carcinoma, it was assumed from these results that the development of well-differentiated adenocarcinoma might be closely related to the occurrence of endocrine cells and that poorly differentiated adenocarcinoma might develop from ordinary mucosa.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00390467
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  • 26
    Electronic Resource
    Electronic Resource
    Immunofluoresceuce study of secretory epithelial markers in pleomorphic adenomas (1984)
    Springer
    Virchows Archiv 403 (1984), S. 291-300 
    Details
    ISSN: 1432-2307
    Keywords: Pleomorphic adenomas ; Immunohistochemistry ; Lactoferrin ; Carcinoembryonic antigen ; Secretory component
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Amylase (Am), lactoferrin (Lf), lysozyme (Ly), secretory component (SC), epithelial IgA, and epithelial IgM were traced by paired immunofluorescence staining in ethanol-fixed specimens from 15 pleomorphic adenomas of the parotid gland. Epithelial elements positive forsome of the markers were detected in a variable number of the specimens (Am, 0; Lf, 11, Ly, 2; CEA, 6; SC, 11; IgA, 9; and IgM, 6); their expression seemed to depend on a certain degree of glandular differentiation. Variable co-expression of secretory epithelial markers probably reflected different degrees of differentiation, indicating that clonal diversification may explain the histological complexity of pleomorphic adenomas. The most consistent expression (in almost 75% of thespecimens) shown by Lf and SC might further reflect histogenetic relationship to intercalated ducts in which these antigens are normally found in largest amounts.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00694905
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  • 27
    Electronic Resource
    Electronic Resource
    Distribution of collagen types I and III and basal lamina in human gastric carcinoma: An immunohistochemical and electron microscopic study (1984)
    Springer
    Virchows Archiv 403 (1984), S. 313-322 
    Details
    ISSN: 1432-2307
    Keywords: Gastric carcinoma ; Scirrhous carcinoma ; Collagen ; Immunohistochemistry ; Electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Collagen types I and III were examined immunohistochemically in 32 cases of gastric carcinoma classified as poorly differentiated adenocarcinoma with scirrhous stroma, well differentiated adenocarcinoma with intermediate stroma, or poorly differentiated adenocarcinoma with medullary stroma. In the stroma of scirrhous carcinoma, types I and III collagens were distributed abundantly in fibrillar or granular patterns with little difference in the intensity of staining. In well differentiated adenocarcinoma, type I collagen was diffusely distributed in the stroma with type III collagen distributed sparsely. In poorly differentiated adenocarcinoma with medullary stroma, the two types of collagen were only found around capillaries, constituting the tumor interstitium. Electron microscopic examination of scirrhous carcinoma showed tumor cells partially covered with fibroblasts, and discontinuous basal lamina, collagen fibers and microfibrils present between tumor cells and fibroblasts. In well differentiated carcinoma, tumor cells were surrounded by fibroblasts, and well developed basal lamina was observed beneath the tumor cells. In poorly differentiated carcinoma with medullary stroma, the stroma consisted of capillaries and very few fibroblasts with discontinuous basal lamina occasionally being present between tumor cells and fibroblasts.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00737282
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  • 28
    Electronic Resource
    Electronic Resource
    Immunohistochemical study on the morphology of enterochromaffin cells in the human fundic mucosa (1984)
    Springer
    Cell & tissue research 235 (1984), S. 703-705 
    Details
    ISSN: 1432-0878
    Keywords: Enterochromaffin cells ; Serotonin ; Immunohistochemistry ; Man
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The morphology of enterochromaffin (EC) cells in the human fundic mucosa was investigated at the lightmicroscopic level by means of the unlabeled peroxidase anti-peroxidase method, with the use of a highly specific anti-serotonin serum. EC-cells in the human fundic mucosa were sparsely distributed below the neck portion of the gland, but were found to be rather numerous in its lower half. Immunohistochemistry revealed marked pleomorphic and seemingly polynuclear EC-cells or cells with long, sometimes multipolar cytoplasmic processes. In addition, luminal contacts and contiguity between EC-cells, or interglandular connections were also encountered. The present immunohistochemical procedure permits, for the first time, a clear-cut morphological visualization of the entire population of EC-cells, and reveals the distinctive morphological features of these cells in the human fundic mucosa. These morphological findings imply that EC-cells in the fundic mucosa may be crucial in gastric function.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00226973
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  • 29
    Electronic Resource
    Electronic Resource
    Catecholamine-containing pancreatic islet cells of the domestic fowl (1984)
    Springer
    Cell & tissue research 237 (1984), S. 239-244 
    Details
    ISSN: 1432-0878
    Keywords: Islet A cell ; Catecholamine ; Combined microscopy ; Immunohistochemistry ; Fowl
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary In an attempt to identify pancreatic islet cells emitting formaldehyde-induced fluorescence (FIF), the pancreatic islets of the domestic fowl were studied by combined fluorescence, ultrastructural, silver-impregnation and immunohistochemical methods in the same section or in consecutive semi-thin and ultra-thin sections. The results indicate that islet cells emitting intense FIF exhibit a strongly argyrophil reaction with the Grimelius' silver method and also immunohistochemical reaction with anti-glucagon serum, but not with anti-5-HT serum. Therefore, the fowl islet A cell, a peptide hormone-producing cell, stores simultaneously catecholamine as biogenic amine. The islet B and D cells did not display any FIF, any argyrophil reaction with the Grimelius' silver method, or any immunoreactivity with anti-glucagon or anti-5-HT sera. The fluorescent but non-argyrophil cells dispersed in the exocrine acinus may well be PP cells.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00217141
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  • 30
    Electronic Resource
    Electronic Resource
    Serotonin and opsin immunoreactivities in the developing pineal organ of the three-spined stickleback, Gasterosteus aculeatus L. (1984)
    Springer
    Cell & tissue research 237 (1984), S. 559-564 
    Details
    ISSN: 1432-0878
    Keywords: Pineal complex (pineal and parapineal organs) ; Development, ontogenetic ; Photoreceptor cells ; Immunohistochemistry ; Serotonin (5-HT) ; Opsin ; Teleost (Gasterosteus aculeatus)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary 5-hydroxytryptamine (5-HT, serotonin)- and opsin-immunoreactive sites were studied in the developing pineal complex of the stickleback, Gasterosteus aculeatus L., by use of light-microscopic indirect immunoperoxidase techniques. 5-HT immunoreactivity first occurs in the pineal organ at the age of 80 h after fertilization and appears to be localized in cells of the photoreceptor type. The outer segments of a few pineal photosensory cells exhibit opsin immunoreactivity at the age of 84 h after fertilization. The number of cells seems to increase until the pineal organ is completely developed. The increase in the number of 5-HT immunoreactive perikarya runs parallel in time to that of the opsinimmunoreactive outer segments. The cells of the parapineal organ show neither opsin nor 5-HT immunoreactivity. The retina of the embryonic stickleback does not display opsin immunoreactivity until after hatching, which takes place about 144 h after fertilization. These results suggest, in the three-spined stickleback, an earlier light-perception capacity for the developing pineal organ than for the retina.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00228440
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  • 31
    Electronic Resource
    Electronic Resource
    Ontogeny of endocrine cells in the gut of the insect Periplaneta americana (1984)
    Springer
    Cell & tissue research 238 (1984), S. 421-423 
    Details
    ISSN: 1432-0878
    Keywords: Gut endocrine cells ; Ontogeny ; Immunohistochemistry ; Pancreatic polypeptide ; Insect
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The ontogeny of the endocrine cells of the gut of the cockroach Periplaneta americana was studied by immunohistochemistry. During embryogenesis, the midgut begins to be formed as an outgrowth of the foregut and hindgut invaginations. Gut endocrine cells with pancreatic polypeptide (PP)-like immunoreactivity begin to appear at the anterior and posterior ends of the forming midgut. These cells are restricted to the midgut epithelium, and no mitotic cells with PP-like immunoreactivity are observed. These results strongly suggest that the gut endocrine cells, at least those with PP-like immunoreactivity, are derived from precursor cells they have in common with other epithelial cells of the midgut.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00217318
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  • 32
    Electronic Resource
    Electronic Resource
    Mitotic activity of prolactin cells in the pituitary glands of male and female rats of different ages (1984)
    Springer
    Cell & tissue research 235 (1984), S. 497-502 
    Details
    ISSN: 1432-0878
    Keywords: Prolactin cell ; Mitosis ; Sex difference ; Aging ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The anterior pituitary of colchicine-pretreated male and female rats from 20 days to 12 months of age was stained immunohistochemically with anti-rat prolactin serum. Immunoreactive mitotic cells were identified in all groups of rats. In adult female rats the mitotic index of prolactin cells was higher at oestrus than at other stages of the oestrus cycle and than that in male rats of comparable ages. If adult female rats were ovariectomized on the second day of dioestrus or on the day of proestrus, the mitotic indices at presumptive oestrus were less than those in sham-operated controls at oestrus. Estrogen administration to ovariectomized rats significantly elevated the mitotic index of prolactin cells at 48 h after the treatment. The mitotic indices of prolactin cells in female rats reached a peak at 60 days of age, and then decreased with age. In male rats the mitotic indices showed a steady decrease from the value at 20 days of age. A sex difference in the mitotic indices of prolactin cells was noted from 60 days to 12 months of age. The present results clearly demonstrate that differentiated prolactin cells can undergo mitosis and that a sex difference in the mitotic activity of prolactin cells is present during adult life.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00226945
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  • 33
    Electronic Resource
    Electronic Resource
    Immunohistochemical demonstration of serotonin-containing nerve fibers in the hypothalamus of the monkey, Macaca fuscata (1984)
    Springer
    Cell & tissue research 236 (1984), S. 495-503 
    Details
    ISSN: 1432-0878
    Keywords: Hypothalamus ; Serotonin ; Neuroendocrine regulation ; Monkey (Macaca fuscata) ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The distributional pattern of serotonin-containing nerve fibers in the hypothalamus of the monkey (Macaca fuscata) was analyzed with the use of the peroxidaseantiperoxidase method in conjunction with a highly sensitive and specific anti-serotonin serum. The highest concentrations of serotonin-immunoreactive varicose fibers were found in the nucleus praeopticus medialis, nucleus ventromedialis hypothalami, and the complex of mammillary nuclei (nucleus praemamillaris, supramamillaris, mamillaris medialis et lateralis). However, the nucleus suprachiasmaticus, where numerous serotoninergic fibers have been reported to occur in the rat, appeared to be almost devoid of these fibers. The infundibular stalk, and the intermediate and posterior lobes of the pituitary contained considerable numbers of immunoreactive fibers. The present study provides a morphological basis for possible clarification of the influence of serotoninergic projections on various neuroendocrine mechanisms in primates. Furthermore, an attempt was made to clarify the differences and similarities concerning the distributional patterns of serotoninergic nerve fibers within the monkey hypothalamus in contrast to the rat hypothalamus.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00217216
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  • 34
    Electronic Resource
    Electronic Resource
    Sustentacular cells in the fetal human adrenal medulla are immunoreactive with antibodies to brain S-100 protein (1984)
    Springer
    Cell & tissue research 236 (1984), S. 733-735 
    Details
    ISSN: 1432-0878
    Keywords: S-100 protein ; Adrenal medulla ; Sustentacular cells ; Human fetus ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Adrenal glands of human fetuses were investigated by means of an immunohistochemical method with the use of an anti-S-100 serum. S-100-immunoreactivity was recognized in sustentacular cells located among the chromaffin cells. A characteristic circular arrangement of the immunostained cells was found in the central region of the adrenal glands. It surrounded aggregations of non-argyrophilic, small, round cells, which were identified as the remaining sympathoblasts (primitive sympathetic cells).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00217246
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  • 35
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    Electronic Resource
    Catecholamine-synthesizing enzymes in paraganglia of aged Fischer-344 rats (1984)
    Springer
    Cell & tissue research 238 (1984), S. 217-220 
    Details
    ISSN: 1432-0878
    Keywords: Immunohistochemistry ; Paraganglia ; Aging ; Catecholamines ; Catecholamine-synthesizing enzymes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The catecholamine-synthesizing enzymes, tyrosine hydroxylase, dopamine-β-hydroxylase and phenylethanolamine-N-methyltransferase were examined by immunohistochemistry in hypertrophied paraganglia of aged male Fischer-344 rats. All paraganglionic cells reacted with antibodies against tyrosine hydroxylase. Dopamine β-hydroxylase was identified in most paraganglionic cells, indicating that they synthesized norepinephrine. A variable number of paraganglia were positive for phenylethanolamine-N-methyltransferase, which suggested that they synthesized epinephrine. The formaldehyde-induced fluorescence method demonstrated greenish-yellow fluorescence or yellowish-brown fluorescence. The intensity of the fluorescence was in the same range as in adrenal medullary cells. The observations indicate that paraganglia are capable of synthesizing epinephrine.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00217291
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  • 36
    Electronic Resource
    Electronic Resource
    Monoclonal antibodies against spermatozoa of the common carp (Cyprinus carpio L.) (1984)
    Springer
    Cell & tissue research 236 (1984), S. 99-105 
    Details
    ISSN: 1432-0878
    Keywords: Monoclonal antibodies ; Spermatozoa ; Surface antigens ; Reproductive organs ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Eleven monoclonal antibodies that recognize membrane determinants on spermatozoa of the carp Cyprinus carpio L. have been produced. Indirect immunofluorescence revealed that these determinants are uniformly distributed on the surface of head and midpiece. Most of them are also present on the outer membrane of precursor sperm cells. Although none of the monoclonal antibodies reacted with carp somatic tissue, five monoclonal antibodies were positive for surface membrane determinants of oogonia and early prophase oocytes in carp ovary. Preliminary analysis of the testis and ovary of three other species of fish showed that some carp determinants are shared with germ cells from Barbus conchonius, Clarias lazera, or Salmo gairdneri.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00216518
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  • 37
    Electronic Resource
    Electronic Resource
    Purification and immunohistology of a glycoprotein secreted from the rabbit uterus before implantation (1984)
    Springer
    Cell & tissue research 237 (1984), S. 155-160 
    Details
    ISSN: 1432-0878
    Keywords: Uterine epithelium ; Uterine proteins ; β-Glycoprotein ; Immunohistochemistry ; Rabbit
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Two antigens of the β-glycoprotein fraction from rabbit uterine secretion of the seventh day post coitum were purified firstly by gel filtration on Sephadex G 150, then either by ion exchange chromatography on DEAE Sephacel or chromatofocusing on PBE 94. By the use of a specific antiserum, raised in female sheep, two antigens with α 2- and β 2-mobility in agar gel electrophoresis could be demonstrated. Immunohistochemical staining of the uterine epithelium at the seventh and eighth day post coitum showed the antigens to be localized in a ciliated cell type of conspicuous shape, which is supposed to be the site of synthesis. Stain accumulated mainly in the apical part of the cell, but there were also small deposits around the nucleus.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00229211
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  • 38
    Electronic Resource
    Electronic Resource
    The auricular myocardiocytes of the heart constitute an endocrine organ characterization of a porcine cardiac peptide hormone, cardiodilatin-126 (1984)
    Springer
    Cell & tissue research 238 (1984), S. 425-430 
    Details
    ISSN: 1432-0878
    Keywords: Heart, atrium ; Myoendocrine cells ; Cardiodilatin ; Peptide hormone ; Immunohistochemistry ; Pig
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary A peptide hormone was extracted from the porcine right atrium following a bioassay for differential vaso-relaxant effects on smooth muscle strips from aorta and renal and inferior mesenteric arteries. The isolation procedure included several steps of gel-permeation and ion-exchange chromatography, and high performance liquid chromatography. During the isolation procedure, other peptides of smaller molecular weight were also found, which, in relation to cardiodilatin-126 (CDD-126), are shorter at their N-terminal. Among these, CDD-88 has also been isolated and characterizied, and has been established as a prominent member of the cardiac hormone family. The N-terminal and C-terminal segments of the 126 amino acid-containing molecule were synthesized and used to raise region-specific antibodies. The natural peptide was then localized within myoendocrine cells of the right atrium where specific atrial granules are located. Renal effects of cardiodilation were studied in conscious dogs and showed strong diuretic and natriuretic activities. According to our functional studies, cardiodilatin-126 and cardiodilatin-88 possess qualities of a significant hormone family regarding the regulation of extracellular fluid volume and blood pressure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00219856
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  • 39
    Electronic Resource
    Electronic Resource
    Electronic structure of the PdCl42- and PtCl42-ions (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 201-209 
    Details
    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 spectra of PdCl42- and PtCl42- are studied by quantum-chemical methods with the ultimate object being to understand the differences in reactivity for Pt(II) and Pd(II) complexes. Nonrelativistic ab initio UHF, DV - Xα, and MSXα methods give very similar assignments of the spectra for PdCl42-. The d-d spectrum for PtCl42-, which is very different from the d-d spectrum of PdCl42-, agrees qualitatively with the spectra obtained using the relativistic extended-Hückel (REX) and Dirac-Slater (DS) methods. Although the latter two methods disagree somewhat in the interpretation of the high intensity bands in PtCl42-, it appears reasonable to interpret at least one of the lines as a 5d → 6p transition.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250116
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    Electronic Resource
    Spin-orbit excitation in the system I + I2: Relativistically parameterized extended-Hückel calculationsPresented at the Symposium on Relativistic Effects in Quantum Chemistry, Åbo Akademi, Finland, June 21-23, 1982. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 223-231 
    Details
    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: Relativistically parameterized extended-Hückel (REX) calculations concerning species and exchange reactions in the system I or I* + I2 are reported, where I = 2P3/2 and I* = 2P1/2. From their experimental data for related halogen systems X + YZ XY + Z, E. B. Gordon, A. I. Nadkhin, S. A. Sotnichenko, and I. A. Boriev [(Chem. Phys. Lett. 86, 209 (1982)] have proposed a conservation rule for the spin-orbit state (X* → Z*, X → Z). The results of REX calculations, double-group symmetry analysis, and schematic state correlation diagrams reported here are consistent with the proposed conservation rule. Two of the transition states are linear and the third nearly so, but no Γ1/2-Γ3/2 crossings leading to spin-orbit conversion are found.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250118
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    Electronic Resource
    Relativistic studies of atoms and ions with complex configurationsPresented at the Symposium on Relativistic Effects in Quantum Chemistry, Åbo Akademi, Finland, June 21-23, 1982. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 47-55 
    Details
    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 the relativistic investigation of the energy spectra and the electronic transitions in the case of complex configurations, based on the theory of the irreducible tensorial operators and the genealogical coefficients, is described. The use of the quasispin and isospin technique in the relativistic approximation is discussed. Expressions are presented for electric multipole transition probabilities for general values of the gauge condition of electromagnetic field potential.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250105
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    Relativistic atomic structure theory: Some recent workPresented at the symposium on Relativistic Effects in Quantum Chemistry, Åbo Akademi, Finland, June 21-23, 1982. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 23-46 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Recent developments in relativistic atomic structure have been more in terms of program improvement than in fundamental theory. Some comments on both aspects of this work are illustrated by a description of two different recent applications. In the first, we study the contribution of the interaction of relativity and correlation to the 2 3S-2 3P0,1,2 intervals in heliumlike ions, whose theoretical estimation is important for testing QED. The study of satellite structure in the Kβ x-ray emission spectrum of Ar illustrates a quite different use of the program packages developed at Oxford for investigating configuration interaction. The use of shake theory to predict the initial states, populated along with the primary vacancy giving rise to the diagram line, gives a satellite line intensity distribution which agrees very well with recent experimental spectra.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250104
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    Isospin basis for atoms in relativistic approximationPresented at the Symposium on Relativistic Effects in Quantum Chemistry, Åbo Akademi, Finland, June 21-23, 1982. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 57-62 
    Details
    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 isospin basis is put into operation for investigation of atomic configurations, having two shells of equivalent electrons, characterized by the same orbital (LS coupling) or total (jj coupling) angular momenta of each electron. Tensorial properties of both the operators and the wave functions are studied in this basis. The two-particle operator is expressed in terms of the tensors irreducible in the isospin space. The problem of the additional classification of the levels is considered. The accuracy of the quantum numbers of the isospin basis in jj coupling scheme is discussed.
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/qua.560250106
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    Electronic Resource
    Use of the S-matrix in the relativistic treatment of resonance energy transfer (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 79-96 
    Details
    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 S-matrix formalism is used to treat the phenomenon of resonance energy transfer (sensitized fluorescence). It is shown that for dipole-allowed transitions and short sensitizer-acceptor separations, the relativistic treatment yields the same result as the nonrelativistic Perrin-Förster theory. For large sensitizer-acceptor separations, long-range coupling terms appear in the relativistic treatment. Resonance energy transfer through these long-range coupling terms is compared with spontaneous photon emission, and direct-interaction theories of electromagnetism are discussed. In the Appendix it is shown that the relativistic theory predicts resonance transfer of triplet excitation energy through the spin-spin coupling term in the Breit interaction.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250110
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  • 45
    Electronic Resource
    Electronic Resource
    Relativistic calculations of dissociation energies and related properties (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 131-148 
    Details
    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: Methods of calculation of potential energy curves or surfaces, including dissociation energies, bond distances, and vibration frequencies, are discussed as well as recently obtained results for several molecules. The ab initio relativistic methods involve the derivation of “shape-consistent” effective potentials from Dirac-Fock atomic calculations. These effective potentials are averaged and differenced with respect to spin with the differences, p3/2 - p1/2, etc., yielding spin-orbit operators. The molecular calculations are then set up in a familiar manner through the SCF stage using spin-averaged effective potentials. The final stage is a configuration-interaction calculation including the spin-orbit terms as well as the electron repulsion terms. Calculations that have been made for several low-lying excited states as well as the ground state for Au2, TlH, Tl2, Sn2, and Pb2 are reviewed. Good agreement is obtained with spectroscopic data and a number of interesting predictions are made.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560250113
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  • 46
    Electronic Resource
    Electronic Resource
    Relativistic corrections to the valence and conduction band edges of anisotropic semiconductors (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 263-263 
    Details
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250120
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  • 47
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    Electronic Resource
    Announcement. International academy of quantum molecular sciences (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 273-273 
    Details
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250121
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  • 48
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    Electronic Resource
    Groups of simple graphsPresented at the symposium on “Applications of Group Theory and Graph Theory to Chemistry,” Southeast/Southwest Regional Meeting, American Chemical Society, 1980. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 309-320 
    Details
    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 group structure of simple graphs can be found by factoring the adjacency matrix into cyclic blocks. The blocks correspond to permutational subgroups of the graph. The overall group structure is a product of the independent subgroups.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250204
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    Electronic Resource
    Electronic Resource
    Calculation of localized molecular orbitals (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 355-365 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two techniques are presented for reducing the effort required to determine localized orbitals based on the energy or density criteria. The first, population weighted editing of the electronic repulsion integrals, reduces the effort required for each iteration of the localization procedure. The second, damping/extrapolation of the transformation matrix, reduces the number of iterations required to reach convergence. Numerical results are provided for methane and formaldehyde (for the editing method) and for carbon monoxide and boron fluoride (for the damping/extrapolation technique).
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250208
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  • 50
    Electronic Resource
    Electronic Resource
    Masthead (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984) 
    Details
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250301
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  • 51
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    Electronic Resource
    Calculation of systems involving strong delocalized bonds within a modified PCILO framework. I. Valence-bond PCILO method (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 475-481 
    Details
    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 describing mesomer structures by the original PCILO method several problems may occur because of the use of localized bonds. A so-called VB-PCILO including a superposition of several mesomer boundary structures in the CI perturbation treatment will be proposed.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250303
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    Electronic Resource
    Vibrational-rotational levels of diatomic RKR potentials (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 677-686 
    Details
    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 vibration-rotation levels for the diatomic RKR potential curve are solved using both perturbational and variational approaches. To obtain any-order correction of the energy from unperturbed parameters, an iterative scheme is formulated in the hypervirial framework. Variational calculations are carried out upon a rotationless Morse oscillator basis set and using a transformation technique to treat the effective potential energy function. Numerical results for the RbH X 1Σ+ state are obtained. The accuracy of the energy levels is tested by solving the Schrödinger equation by a numerical procedure.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250406
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    Electronic Resource
    Electronic Resource
    Bonding in alkali metal homonuclear diatomics (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 723-731 
    Details
    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 analysis of the factors that contribute to the stability of the bond between alkali metal atoms is made by using nonorthogonal configuration interaction. Beyond the orbital size, the overlap of the valence orbitals of one atom with the core orbitals of the other accounts for most of the difference between the hydrogen molecule and the alkali metal diatomics. It is shown that the valence bond description does not provide a satisfactory description in any case except for the hydrogen molecule, and valence electron correlation using the p-type valence orbitals is essential.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250411
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  • 54
    Electronic Resource
    Electronic Resource
    Masthead (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984) 
    Details
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250501
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  • 55
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    Electronic Resource
    Vibronic coupling of electronic states. IV. Harmonic CBO potentials with equal minima positions - the influence of different vibronic coupling strengths on the electronic absorption and emission spectra containing a longest-wavelength electronically forbidden transition (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 687-697 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The influence of vibronic coupling between two harmonic CBO potentials with equal minima positions on the electronic absorption and emission spectra is investigated in the framework of our model using the variational procedure. The numerical results, being identical with those obtained through the vibronic coupling model of Fulton, Gouterman, and Brickmann, are discussed with regard to the longest-wavelength electronically forbidden transition, its vibrational structure, and the Stokes loss.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250407
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  • 56
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    Electronic Resource
    Molecular orbital studies on the structure of nucleoside analogs. IV. Conformation of 3-deazapurine nucleosides (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 743-752 
    Details
    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: Conformational properties of 3-deazapurine nucleosides (namely, 3-deazaadenosine and 3-deazaguanosine) have been investigated by the PCILO method. Both C(2′)-endo and C(3′)-endo sugar puckers have been considered and the results indicate that the conformational preferences of these nucleoside analogs are quite different from those of their parent nucleosides adenosine and guanosine, respectively. This result has been correlated in terms of the biological inactivity of these nucleoside analogs.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250413
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  • 57
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    Electronic Resource
    Convergence problems in SCF calculations: Further applications of a new technique based on the use of inverse Fock operator (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 809-816 
    Details
    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 recently proposed orbital optimization technique based on the use of the inverse of the level-shifted Fock operator is successfully applied to a large number of pathologically divergent cases. The possibility of eliminating convergence problems by adopting a similar modification in the operation of the orthogonal gradient method is also successfully tested.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250505
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    Electronic Resource
    The band structure of porphyrinatonickel(II). A semiempirical crystal orbital study based on the tight-binding formalism (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 817-851 
    Details
    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 band structure of porphyrinatonickel(II) (2) has been studied by means of crystal orbital calculations that are based on the tight-binding approximation; the computational framework is a recently developed INDO model for transition metal compounds of the 3d series. The porphyrinato polymer has been studied in an eclipsed arrangement (2a) and in a staggered conformation (2b) where neighboring layers are rotated by 41°. The total energy of the metallomacrocycle has been decomposed into one- and two-center contributions; the latter interaction parameters have been fragmented into physically feasible resonance, exchange, and classical electrostatic (electron-electron, electron-core, core-core) interactions. It is shown that individual two-center potentials between atoms in neighboring layers are prevailingly determined by the electrostatic interaction energy. The NiNi coupling in the chain is highly repulsive; important stabilizing interactions are predicted between the 3d center of one cell and the electronegative N atoms in the neighboring layers. Stabilizing and destabilizing electrostatic interaction potentials largely compensate each other; the net stabilization in the polymer comes from the accumulation of resonance and exchange increments. The unoxidized Ni(II) porphyrinato polymer is an insulator. Several ligand bands (π, σ, and lone-pair) are predicted on top of bands with significant Ni 3d admixtures; the conduction band of the unoxidized strand is of ligand π* character. The dense manifold of ligand states in the vicinity of the Ni 3d states (3dz2, 3dx2-y2, 3dxz/3dyz) prevents the formation of bands in the polymer that are strongly localized at the 3d center. Ni 3dz2 and 3dx2-y2 interact strongly with ligand lone-pair and σ states. Avoided crossings between ∊(k) curves in k space lead to compositions in the various bands that differ significantly at the bottom and the top. The INDO crystal orbital formalism predicts a partial oxidation of ligand bands in derivatives of 2 that contain oxidants (e.g., halides). The theoretical findings derived for 2 are compared with available experimental data on highly conducting porphyrinatonicke(II) polymers (tetrabenzo and octamethyltetrabenzo derivatives of 2).
    Additional Material: 15 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560250506
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    Electronic Resource
    Electronic Resource
    Masthead (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984) 
    Details
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250601
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  • 60
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    Electronic Resource
    Calculation of bound-state energies from a variational functional method (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 1023-1033 
    Details
    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 variational functional method is improved and generalized in order to obtain approximate bound-state energies of a wide variety of quantum-mechanical systems. Calculations on the discrete spectrum of the hydrogen atom in a magnetic field and the bounded harmonic oscillator show that the procedure is very promising.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250607
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  • 61
    Electronic Resource
    Electronic Resource
    A modified PCILO framework using the CNDO/Boyd-Whitehead parametrization (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 1055-1060 
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    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 CNDO/BW modification of the CNDO/2 approximation was used within the PCILO framework. It was shown on some significant examples that all the good results of the original PCILO-CNDO/2 method can be reproduced by the modified version PCILO-CNDO/BW at least. Thus, preserving the quality of its results a computer-expense-reduced PCILO method is proposed for calculations on large molecular systems.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250610
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  • 62
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    Electronic Resource
    Ab initio Hartree-Fock approach to the study of polymers: Application to polyacetylenes (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 197-212 
    Details
    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 ab initio Hartree-Fock method devoted to the study of polymers is presented, truncation criteria for the exchange and the Coulomb series are discussed, and it is shown that the error in the total energy evaluation can be reduced to below 0.0001 a.u./cell with little computational effort. Results for six polyacetylene isomers are presented and compared with previous ab initio data obtained using the same basis set. In agreement with the experimental findings, the alternating all-trans structure is the most stable.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260205
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  • 63
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    Theoretical invstigations of the electronic states of porphyrins. I. Basis set development and predicted spectrum of pyrrole (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 237-250 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new minimum basis set was developed for use in computing excitation energies of large molecules. It is particularly suited to calculating ionization potentials and Rydberg transitions. Pyrrole excitation energies and oscillator strengths calculated with this basis set are compared to larger basis set ab initio and semiempirical results. The 6-eV band in the experimental spectrum is predicted to be the result of three Rydberg absorptions, with no underlying (π, π*) absorption. The calculations also provide an explanation for the observed N—H stretch in the 6-eV region.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260209
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  • 64
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    Theoretical investigations of the electronic states of porphyrins. II. Normal and hyper phosphorus porphyrins (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 251-274 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ab initio methods have been used to calculate the ground and excited states of “normal” and “hyper” porphyrins. Perturbation theory and CI methods were used to determine differential ground and excited-state correlation effects for [Pv(P)F2]+ and [PIII(P)]+. A comparison is made to the INDO/S/CI predicted wavefunctions and spectra and to the experimental spectra of closely related molecules. The “hyper” [PIII(P)]+ calculations show some very low energy electronic transitions which provide an explanation for an anomalous “red” band in the spectrum and for the lack of fluorescence. Ab initio calculations also predict that (1) the lowest energy 1A1 state is a two-configuration wavefunction which can be described as a diradical, (2) the two lowest-energy singlet excited states are double excitations from the closed shell SCF configuration, and (3) a 3B2 state is very close in energy to the lowest 1A1 state.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260210
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    General harmonic oscillator integrals by the operator method (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 339-347 
    Details
    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 operator technique with a minimum of commutator algebra is employed to calculate matrix elements of any number of operators between distorted, displaced harmonic oscillator wavefunctions. The results are valid for multidimensional integrals, and regardless of the extent of the Duschinsky effect. General recursion relations useful in machine calculations are given. The formalism is illustrated for the well-known one-dimensional Franck-Condon integrals.
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/qua.560260304
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    Localized molecular orbitals for multiple bonds in the ZDO approximation: The σ-π vs. banana bonds dilemma (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 383-403 
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    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 multiple bond description supplied by localized molecular orbitals obtained within the ZDO approximation is analyzed. In particular, conditions for the appearance of σ-π separation and of continuous degeneracy of the localization sum against σ-π mixing are given for two current ZDO energy- and density-localization methods. Likewise, a convenient modification of the latter is presented together with some illustrative examples.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260307
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    A unitary group formulation of many-body theory: Diagram systematics and use of the spin shifts (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 125-143 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper shows that the spin-shift formalism developed in B. T. Pickup and A. Mukhopadhyay [Int. J. Quantum Chem. 26, 101 (1984)] supports a one-component diagrammatics which has a systematics akin to that in the spin-orbital many-body theory. The diagrams are neither Goldstone nor Yutsis type, and characterize the chain U(2R) ⊃ U(R)⊗SU(2) on which the spin-shift formalism is based. Accordingly, while the lines in such diagrams are labeled by the orbital indices, the diagram structure adequately reflects the irreducible representation of the group U(R). In this sense the paper presents a unitary group approach to the natural generalization of the usual many-body theory for the spin-adapted cases. A set of very simple rules is derived; their similarity with the corresponding rules in the ordinary many-body theory and practical utility are discussed in connection with (a) matrix elements over many-electron spin states and (b) closed- and open-shell many-body perturbation theory. A possibility of integral-driven many-body perturbation theory for open-shells is indicated. Connections of this formalism with others are also discussed.
    Additional Material: 11 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260109
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    Electronic structure of the peptide linkage. I. Equilibrium geometry and electronic properties of formhydroxamic acid (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 183-196 
    Details
    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 equilibrium geometry of formhydroxamic acid has been calculated within the framework of the INDO-MO formalism. Various structural factors are analyzed and discussed in terms of the calculated force constants and charge distribution. The possibility of internal rotation around the C—N bond of formhydroxamic acid has been examined. The potential energy surface for the amide-imide tautomerism is explored by calculating the geometries and characterizing saddle points on that surface. The cyclic and open dimers of formhydroxamic acid are examined and the hydrogenbond energy and length are calculated.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260204
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    Usage de l'algkbre de lie su(n) dans l'etude des systèmes quantiques à n etats. III. Définition et obtention des constantes du mouvement conjoncturelles (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 479-488 
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    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
    Description / Table of Contents: From the density operator, some constants of the motion are defined and established. We suggest calling them conjunctural constants of the motion. It is proved that no more than n - 1 of them can be linearly independent. Using su(m) (m 〈 n ) subalgebra associated with the Hamiltonian-operator, it is shown how conjunctural constants of the motion can be expressed in terms of the coherence vector components.
    Notes: A partir de I'opérateur-densité d'un système quantique à n états, sont définies et calcultes des constantes du mouvement pour lesquelles est proposée I'appellation nouvelle de conjoncturelles. On établit qu'il en existe au maximum n - 1 linéairement indépendantes. A I'aide des sous-algèbres su(m) (m 〈 n ), on montre comment il est possible d'introduire, suivant la forme de I'hamiltonien, des constantes du mouvement conjoncturelles reliées aux composantes du vecteur de cohérence.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260406
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    Masthead (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984) 
    Details
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260501
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    Theoretical approach of the chemical reactivity: The SN2 reaction (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 593-605 
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    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 survey paper the different possible theoretical ways of treating the SN2 reaction are explained. It is shown that, in the future, experience and theory will very likely complement each other.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260504
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    The concept of the chemical bond (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 709-715 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The concept of the chemical bond is very old. Many interpretations have been proposed. Nevertheless, the problem is far from being solved. At the present time, the chemist has the choice between two models: the Lewis model (electron pairs) and the quantum model. In spite of a current opinion, both models are not logically equivalent. The localization of molecular orbitals is only a mathematical operation which does not involve any physic localization of the electrons. The loge theory is not more satisfying owing to the fact that loges with minimal fluctuation do not exist in all molecules. The theory of orbital domains seems to bring a solution. Nevertheless, its interpretation can be obtained only outside the strict framework of quantum mechanics.
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/qua.560260510
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    Convergence of LCAO density matrices in Hartree - Fock calculations on extended model chains (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 717-723 
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    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 mathematical implications of the extended nature of model chains are reviewed to call attention to their importance in electronic structure calculations at the restricted Hartree-Fock Roothaan level.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260511
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    The effect of an impurity in quasi-one-dimensional systems: Green's function and cluster model approach in comparison (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 753-768 
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    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 an impurity in a quasi-one-dimensional system is addressed. A hydrogen atom in a lithium chain serves as physical model. Two complementary descriptions, the cluster model approach with focus on local interactions, and the self-consistent Green's function approach which takes into account the extended nature of the system will be presented at the Hartree-Fock level. The results of both approaches are discussed in a comparative analysis.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260515
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    Quantum chemical studies on zeolites and silica (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 793-822 
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    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: After mentioning differences in C—O and Si—O bonding and different structural types of silicates, the conclusion that interactions between external partners and surfaces of silica and zeolites are mostly dominated by van der Waals forces is discussed. Consequently, the theoretical treatment includes (i) selection of appropriate cluster models, (ii) application of nonempirical quantum chemical methods for obtaining interaction potentials, and (iii) statistical thermodynamic evaluation of adsorption characteristics. As examples vibrational frequencies of H2O and NH3 adsorbed on cationic sites, the interaction of conjugated hydrocarbons with Na+ sites, and the interaction of H2O with various sites on silica and zeolite surfaces are considered.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260519
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    A review of a theoretical model of the excitonic superconductivity in CdS and CuCl (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 831-841 
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    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 review we briefly outline the model developed by Collins and co-workers [T. C. Collins, A. B. Kunz, and R. S. Weidman, Recent Advances in Quantum Theory of Polymers, J. M. Andre et al., Eds., Lecture Notes in Physics (Springer-Verlag, New York, 1979), Vol. 113, p. 240; T. C. Collins, M. Seel, J. J. Ladik, M. Chandrasekhar, and H. R. Chandrasekhar, Phys. Rev. B 27, 140 (1983)] for CdS and CuCl. The model should be applicable to organic semi-conductors. It is the outgrowth of the work of Little [W. A. Little, Phys. Rev. 134, 1416A (1964)], Devreese et al. [J. T. Devreese, A. B. Kunz, and T. C. Collins, Solid State Commun. 11, 673 (1972)] and a large amount of literature concerning He3 p-state [A. J. Leggett, Rev. Mod. Phys. 47, 331 (1975)]. This model is built around calculated band structures and the polarization of the valence band by conduction electrons at moderately high impurity concentrations. We extend the model to include both singlet and triplet paired spin states. The parallel paired states contribute a paramagnetic term to the susceptibility, and we discuss the conditions for this term to dominate over the diamagnetic term.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260521
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    Origin of high efficiency and specificity of biochemical reactions (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 857-872 
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    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 suggested that the extreme efficiency and specificity observed for chemical reactions in biological systems (compared to chemical reactions occurring under common chemical conditions) is mainly due to special features of these reactions. A key position is ascribed to the role of weak intermolecular interactions (also called noncovalent or van der Waals); in addition, the important role of the entropy and of cyclic or cavitylike shapes of numerous reaction sites, together with the influence of strong local electric fields on transport phenomena and reactivity are discussed. The greatest attention is paid to the applicability of computational methods for evaluation of weak intermolecular interactions, ranging from beyond Hartree - Fock methods to empirical potentials.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260523
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    A model of the primary process in photosynthesisA lecture presented at the Colloquium/Advanced Studies Institute on Mechanisms of Elementary Physico-Chemical Processes, Sorrento, Italy, May 2-14, 1983. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 917-931 
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    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 arrangement of membrane-bound pigments, proteins, and lipids in the thylakoids of higher plants is described, and the role of the membrane in preventing the back-reaction is discussed. The photosynthetic bacterium halobacterium halobium is also described. A simplified quantum-mechanical picture of the primary process in photosynthesis is presented, and the mechanism of electron-hole separation in this picture is compared with the corresponding mechanism in a silicon solar cell. An appendix discusses the application of Frenkel exciton theory to the antenna effect.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260527
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    Probable physical mechanisms of the activation of oncogenes through carcinogens (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 955-964 
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    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 brief review is given of the three main known biochemical mechanisms of human oncogene activation. The underlying possible physical and chemical mechanisms (both short- and long-range) caused by chemical carcinogens are also briefly discussed. The probable role in carcinogenesis of conformational solitons generated after the release of carcinogens previously bound to nucleotide bases is pointed out. For such a soliton the Hamiltonian is written down and the solution of classical equations of motion is outlined.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260530
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    Dynamics of enzyme reactions in solution and in heterogeneous media (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 943-953 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Enzymes are catalysts occurring in living cells. The aim of this paper is to describe some basic properties of enzymes and to understand on a physical basis how the intracellular milieu may control the kinetics of enzyme reactions. We shall therefore consider in succession some kinetic properties of enzymes in solution and the way cell surfaces and biological membranes control the dynamics of enzyme reactions. The choice of topics which have been selected in this paper is somewhat arbitrary and certainly reflects the tastes and the personal interests of the authors.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260529
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    A classification of polyenes into 4L + 2- and 4L-classes on the basis of Coulson's bond orders and information theory and its application to the interpretation of electrocyclic reactions (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 993-1015 
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    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 in the framework of the π-electron approximation even polyenes can be unambiguously divided into 4L- and 4L +2- classes. The classification scheme is based upon the sign alternation of the bond-order between the first and the last atoms and upon the different information content of the bond-order distribution for 4L- and 4L +2- polyenes, respectively. The classification has been shown to hold for the four lowest-lying electronic states: the ground state 1Ag-, the spectroscopically permitted excited state 1Bu+, the spectroscopically forbidden state 1Ag-, and the lowest triplet state 3Bu+ at all levels of sophistication in the π-electron approximation, ranging from the simple Hückel Hamiltonian to the PPP-multi-CI approach. It is shown that the proposed classification is valid also for heteropolyenes and polyenelike/heteropolyenelike fragments from complex organic molecules. The classification has been shown to be useful for the theoretical interpretation of thermo- and photoelectrocyclic reactions. The sign of the bond order between the first and the last atoms (or the average information content) determines unambiguously the topology of the forming cyclic transition state and, thence, the course and the mechanism of these reactions. The results obtained indirectly support the hypothesis that the lowest excited states in butadiene and hexatriene are of the type 1Bu+.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260605
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    Introduction (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. vii 
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    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260702
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    Convergence properties of Hartree-Fock SCF molecular calculations (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 1039-1049 
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    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: Hartree-Fock equations are viewed as nonlinear algebraic equations that can be solved iteratively. Provided we assume the existence of a solution, valuable properties of convergence may be assessed. The close connection between convergence of the SCF procedure and stability properties of the solution is shown from a nonapproximate standpoint. The convergence features of level-shifting convergence-forcing techniques are analyzed. The connection between this nonlinear algebraic approach and the related gap equation is displayed and the example of the restricted Hartree-Fock hydrogen molecule is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260608
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    Many-electron theory of autoionizing states using complex coordinates: The position and the partial and total widths of the Ne+ 1s hole state (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 1017-1027 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This article presents the first results of the application of quantum mechanics with complex coordinates to the calculation of partial widths for the radiationless decay of an inner-hole excited autoionizing state, the Ne+1s2s22p6 2S. This is succeeded by the reduction of the multi-electron, multichannel problem in the complex energy plane to five, symmetry adapted, two-electron problems, in accordance with a published theory of many-electron resonances. These two-electron problems are solved independently by using rotated analytic Hartree-Fock orbitals (expressed in terms of Slater orbitals) for the localized components, and Slater plus Gamow orbitals for the rotated, asymptotic square-integrable functions carrying the width information. A recently proposed variational principle is employed for the optimization of nonlinear parameters. Within this independent asymptotic pair approximation (IAPA), our results for the partial widths to the five Ne2+ channels are (in 10-2 a.u.): 1s-2p2 1D: 0.560, 1S: 0.048; 1s-2s2p, 3P0: 0.029, 1P0: 0.154; 1s-2s2, 1S: 0.044. The total width is 0.835. These numbers agree reasonably well with those obtained by Kelly [Phys. Rev. A 11, 556 (1975)] from a many-body perturbation theory (MBPT) calculation, and by Howat et al. [J. Phys. B 11, 1575 (1978)] from a configuration-interaction in the continuum calculation. The most recent experimental results yield 0.604, 0.089, 0.063, 0.174, and 0.060, respectively, with a total width of 0.99. Previous real-coordinate many-electron calculations by Beck and Nicolaides-including relativistic and radiative effects-have predicted the position of the Ne+ 1s hole state at E0 = 870.4 eV above the Ne ground state. It has already been shown that the real energy corresponding to the localized component of the autoionizing state is stable under rotations of the function space describing it. Therefore, the earlier E0 can be incorporated into the present calculation in the complex plane. The shift due to the additive contribution of the IAPA is found to be - 0.09 eV. When this is added to E0, the final E = 870.3 eV is in excellent agreement with experiment [870.3 eV; T. D. Thomas and R. W. Shaw, Jr., J. Electron. Spectrosc. Relat. Phenom. 8, 45 (1976)].
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/qua.560260606
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    The living state. XIII. Does matter become “mind”? (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 45-53 
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    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: Consciousness is defined as a “response potential” and is stated to be present in all modalities of physical universe. Given this, upon the gathering of interacting complex systems, new functional ensembles bearing “mind”-like or “mindal” properties arise. These properties are delineated. They would arise in a coupled system by producing an “order” or “action” parameter, allowing for adiabatic elimination of variables and enslavement of subsystems by it. Singularities, space-time asymmetry, and action would irrevocably ensue. An experimentally testable model of “mind” is thus projected.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260706
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    A model for the origin of biological information (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 73-86 
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    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: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260710
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    Reproducibility of amino acid compositions in repeated copolymerizations of amino acids (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 103-108 
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    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: Amino acid analysis has been performed on the products of four simultaneous separate thermal copolymerizations of a set of 18 amino acids. Four analyses have been performed also on aliquots of one of the products. Standard deviations have been calculated for the analyses of the products of the four separate copolymerizations, and for the four aliquots of one copolymerization. All calculations indicate a high reproducibility in the copolymerization reactions.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260713
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  • 88
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    Electronic Resource
    Hyperspherical coordinate representation of potential surfaces of large molecules (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 267-272 
    Details
    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 a previous study an energy criterion has been applied for the simplification of the enumeration problem of various conformers of biomolecules. In the present note, the above energy criterion is combined with a spatial criterion that in general leads to a reduction in the size of those domains of biomolecule potential surfaces within which the search for chemically important conformers is warranted. The above model and the conformational domains of primary interest can be formulated in a hyperspherical representation. Advantages and disadvantages of representing biomolecule potential surfaces in terms of hyperspherical coordinates are discussed.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260728
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  • 89
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    Electronic Resource
    Quenching of anionic free radicals by normal and transformed cells: A probe of phenotypic changes (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 309-314 
    Details
    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 ability of three cultured cell lines (NRK, 6M2, and 54-5A4) derived from rat kidney to quench a population of ascorbyl and 2,6-dimethoxy-p-semiquinone free radicals has been investigated by electron spin resonance spectroscopy. The radical scavenging action of normal rat kidney (NRK) cells was the weakest, that of 6M2 cells (reversibly transformed phenotype) was four times stronger than NRK, and that of 54-5A4 cells (irreversibly transformed mutants of 6M2) was 10 times greater than NRK. Free radical quenching experiments were also performed on Chinese hamster ovary (CHO) cells. A much slower scavenging rate was observed for CHO cells of normal phenotype grown in the presence of dibutyryl cyclic AMP than was found for cells of transformed phenotype grown in its absence. The free radical quenching kinetics of the various cell lines studied directly paralleled their state of transformation.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260732
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  • 90
    Electronic Resource
    Electronic Resource
    Introduction (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. iii 
    Details
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260802
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  • 91
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    Electronic Resource
    First principles charge transfer exciton theory of the UV spectrum of DNA (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 223-235 
    Details
    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 Slater-Koster resolvent formalism of exciton theory, as proposed originally by Takeuti, has been applied to calculate charge transfer exciton states and to investigate hypochromism in polynucleotides. As a first step, spatially well localized ab initio Wannier functions (WFS) are calculated at the Hartree-Fock level using a two-phase (inter- and intramolecular) localization procedure for the Fourier transformation of the Bloch functions. The single particle energies, entering the Green's function of the polymer, are corrected for electron correlation effects with the help of second order Møller-Plesset (MP) perturbation theory. The interelectronic matrix elements, used in the MP calculation as well as in solving the resolvent problem for the excitons, are calculated in terms of the WFS. Singlet- and triplet-excitonic dispersions, oscillator strengths, the possible affects of ions, hydration, and aperiodicity on the exciton spectrum are discussed.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260724
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  • 92
    Electronic Resource
    Electronic Resource
    Effect of nucleic acid flexibility upon ASIF (accessible surface integrated field). Possible significance for biochemical reactivity exemplified by aflatoxin B1 binding (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 273-286 
    Details
    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 extent of reactivity of a guanine in B-DNA toward aflatoxin B1 depends on the base sequence surrounding that purine in the double helix. In order to account for this variability, we have computed the ASIF (accessible surface integrated field) index for the N7 atom (at which the reaction occurs) of guanine in a G—C pair surrounded on both sides by different types of base pairs in a model oligohelix. When the conformation of the helix is maintained in the B-DNA form, the correlation ASIF reactivity is limited. A study is performed showing the influence on the ASIF index of different departures from the regular B-DNA conformation, likely to occur in a double helix. It is shown that the correlation ASIF reactivity can be strongly improved by allowing some local departures from this regular arrangement.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260729
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  • 93
    Electronic Resource
    Electronic Resource
    The Leu5 gramicidin a analog: Molecular mechanics calculations and analysis of single channel steps related to multiplicity of conducting states (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 315-326 
    Details
    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-channel studies have shown that there exist a multiplicity of conducting states in Gramicidin A (GA). In an earlier work presented at this symposium, it was proposed that such a multiplicity may be expected from different long-lived side-chain distributions available for the channel molecule. In order to test this hypothesis, Leu5-Gramicidin A was synthesized and the effect of replacing the L · Ala5 residue by L · Leu5 was analyzed. First, molecular mechanics calculations on Leu5-Gramicidin A are presented. Then the single-channel conductance sweeps obtained for Leu5-GA are automatically analyzed in the computer using specifically developed algorithms. The results show a dramatic decrease in the multiplicity of states due to the Leu5 substitution. This experimental result is discussed in the light of structural concepts emerging from molecular mechanics calculations.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260733
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  • 94
    Electronic Resource
    Electronic Resource
    Hamiltonian dynamics of simple chemical reactions (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 347-353 
    Details
    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 Hamiltonian formulation of chemical kinetics is applied to all closed, single-step, integer-order chemical reactions. In all cases, the dynamics of the Hamiltonian leads to the correct phenomenological rate equation. The relationship between reaction order and the form of the reaction potential is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260735
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  • 95
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    Electronic Resource
    Nonenzymatic hydrolysis of RNA: Pb(II)-catalyzed site specific hydrolysis of transfer RNA. The role of the tertiary folding of the polynucleotide chainThe catalytic property of RNA offers a way around the perennial, chicken and egg problem of early evolution. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 355-366 
    Details
    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: Pb2+ specifically cleaves yeast tRNAPhe in orthorhombic crystals at phosphates P18 and P60 in the dihydrouridine (D) and pseudouridine (T) loops, respectively. Although there are three major lead binding sites in the tRNA, it appears that both cleavages are affected by the same lead ion. The P18 site is apparently the same site that is hydrolyzed by Pb2+ in solutions of the tRNA and is the major cleavage site in crystals. It is shown from P32 labeling studies with polynucleotide kinase that the products of Pb2+ cleavage have the 5′-hydroxyls on G18 and C60, and consequently the 3′ phosphates are on D17 and U59. The OH- in the first coordination sphere of the hydroxo complex Pb(OH)+ either directly or through a water molecule abstracts the proton of the 2′-OH of D17. This promotes a nucleophilic attack by 2′-O- on P18 with subsequent cleavage of the P—O5′ ester bond to generate the major Pb2+ cleavage product pG18-A76. The anchoring of the Pb2+ by the T-loop and D-loop residues seemingly provide the right environment for the generation of the hydroxo complex required for the hydrolysis. Additionally the strain of the phosphodiester conformation at P18 enhances the cleavage at that site. The Pb2+-catalyzed cleavage of tRNA exemplifies a mechanism used not only for the hydrolysis of transfer RNA but one potentially used by other RNA-catalyzed reaction utilizing metal ion cofactors.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260736
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  • 96
    Electronic Resource
    Electronic Resource
    Coupled-cluster method with optimized reference state (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 267-291 
    Details
    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 propose a variant of the coupled-cluster (CC) method in which spin orbitals of the reference Slater determinant are optimized in a self-consistent way. This approach is a reformulation of the Brueckner-Hartree-Fock (BHF) method used in nuclear physics and known also as the exact SCF method. We discuss the use of the reference-state determinants built of HF, natural, and Brueckner spin orbitals, with relations among them investigated in terms of the many-body perturbation theory (MBPT). It is shown that the Brueckner spin orbitals emerge as a convenient basis set in the coupled-cluster method and equations that determine these spin orbitals are found. The Brueckner spin orbitals can be calculated as eigenvectors of a certain Hermitian one-electron operator which has a form of the Hartree-Fock operator plus a “correlation potential” depending linearly on two- and three- electron cluster amplitudes. The usual decoupling scheme in the coupled-cluster method leads to a hierarchy of approximations; in the first nontrivial one the three-electron cluster amplitudes are neglected, and the two-electron ones are determined by solving Čižek's CPMET equations. We also analyze the problem of spatial, spin, and time-reversal symmertry in the CC and BHF methods. If (and only if) the reference-state determinant belongs to a one-dimensional representation of a certain symmetry subgroup of the system, the CC operator and the BHF one-electron operator are invariant with respect to this subgroup. Thus the restricted (entirely symmetry-adapted) version of the BHF method can be formulated only for the closed-shell systems. This is done for the above-mentioned approximate BHF method. We discuss also the usefulness of the BHF method in application to extended metallic systems.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260827
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  • 97
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    Electronic Resource
    Introductory remarks (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 21-24 
    Details
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260805
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  • 98
    Electronic Resource
    Electronic Resource
    Formulas for three-center exchange integrals by computer implementation of the Löwdin α-function method (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 61-66 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By use of computer algebra and expansions of orbitals about a single center in spherical harmonics with a matrix representation for the α-function coefficients it is possible to produce formulas for each term of an infinite series that represents the value of a three-center exchange integral. Only seven terms are required to get six decimal digits for triatomic hydrogen. This method is readily generalized to solve all three-center exchange integrals over Slater-type orbitals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260810
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  • 99
    Electronic Resource
    Electronic Resource
    The simulated ab initio molecular orbital (SAMO) method. VIII. A study of linear polyfluoroethylenes and polychloroethylenes (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 407-432 
    Details
    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 simulated ab initio molecular orbital (SAMO) method band structures of six fluorinated and six chlorinated polymers derived from linear polyethylene are presented and compared with extended Huckel and CNDO/2 studies and with the results of ESCA spectroscopy.
    Additional Material: 15 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260838
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  • 100
    Electronic Resource
    Electronic Resource
    Perturbation theory studies of the hydrogen Zeeman effect - preliminary results (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 449-455 
    Details
    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 summation of the perturbation series for the hydrogen Zeeman effect using the renormalized series technique is studid. Improved results are obtained compared to those obtained from the unrenormalized series; the method has the advantage of not requiring any information on the largeorder behavior of the perturbation series coefficients.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260841
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