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  • 1
    ISSN: 1432-2234
    Keywords: Propagator theory ; Electron propagators, polarization propagators ; Polyenes ; Polyacetylene ; Molecular electronic spectra
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Polyacetylene and the short polyenes are used as common test cases for demonstrating the capability of electron and polarization propagator theory to simulate various types of molecular electronic spectra.
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  • 2
    ISSN: 1432-2323
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Cette étude rétrospective traite la Symptomatologie psychiatrique des patients présentant un hyperparathyroïdisme primitif (HPT). Cent deux patients (23%) sur 441, dont 78 étaient soit en état dépressif ou anxieux, présentaient une Symptomatologie psychiatrique. L'importance des désordres psychiatriques n'était pas en rapport avec l'hypercalcémie. Le dépistage systématique chez 101 patients ágés hospitalisés dans une clinique de psychogériatrie, a révélé 5 patients (5%) qui avaient un HPT. Sur 13 patients présentant un syndrome cérébral organique (démence sénile, par exemple) et HPT, 8 patients (pour lesquels la maladie psychiatrique avait duré moins de 2 ans) ont été améliorés sur le plan mental à la suite de la chirurgie et ont pu réintégrer leur foyer ou leur service d'hospitalisation non psychiatrique. La Symptomatologie psychiatrique a ensuite été évaluée prospectivement chez 59 patients consécutifs ayant un HPT primitif (calcémie moyenne, 2.89±0.30 mmol/l) par le système CPRS (Comprehensive Psychopathological Rating Scale). La majorité des patients avait une Symptomatologie psychiatrique (score CPRS moyen, 13,7±9.1) comparé au groupe non psychiatrique (score moyen, 4.4±2.0;p 〈 0.001). Les symptomes les plus fréquents étaient: fatigabilité, lassitude, mémoire défaillante, difficulté de concentration, tristesse et tension intern. Le dosage des métabolites monoamines dans le liquide céphalorachidien chez 48 de ces patients a montré des valeurs subnormales de 5-HIAA et d'AHV. L'état mental des patients un an à un an et demi après chirurgie parathyroïdienne était nettement meilleure (p 〈 0.001). De même, les taux de 5-HIAA et d'AHV avaient augmenté (p 〈 0.05). Nos résultats montrent que la Symptomatologie psychiatrique: (a) est fréquente chez le patient avec un HPT primitif, (b) est curable par la chirurgie, et (c) n'est pas proportionnelle à l'hypercalcémie. Nos résultats prouvent aussi que le HPT est associé à des modifications du renouvellement des monoamines dans le système nerveux central, expliquant la possibilité de Symptomatologie neurologique.
    Abstract: Resumen El presente informe se refiere a la sintomatología psiquiátrica en pacientes con hiperparatiroidismo primario (HPT). En un estudio retrospectivo sobre historias clínicas hospitalarias se hallaron síntomas psiquiátricos en 102 (23%) de 441 pacientes, 78 de los cuales tenían estados depresivos y de ansiedad. La presencia de síntomas psiquiátricos no aparecio relacionada con el grado de hipercalcemia. Un tamizaje para detectar HPT en 101 pacientes ancianos hospitalizados en una clínica psiquiátrica reveló HPT en 5 casos (5%). Entre 13 pacientes con sindrome cerebral orgánico (e.g., demencia senil) y HPT, 8 pacientes (con evolución de su enfermedad psiquiátrica de menos de 2 años) exhibieron mejoría mental después de cirugía paratiroidea, y les fue posible retornar a su hogar o a unidades somáticas. La sintomatología psiquiátrica fue investigada en forma prospectiva en 59 pacientes consecutivos con HPT primario (calcio sérico promedio, 2.89±0.30 mmol/l), mediante la aplicación de la Escala de Valoración Psicopatológica Comprensiva (EVPC). La mayoría de los pacientes présentó considerable sintomatología psiquiátrica (el valor promedio del puntaje total según la EVPC fue 13.7±9.1) en comparación con un grupo control sano (el valor promedio del puntaje según EVPC fue 4.4±2.0,p 〈 0.001). Los síntomas más prominentes en estos pacientes fueron fatigabilidad, lasitud, falla de memoria, dificultades de concentración, tristeza, y tensión interior. El análisis de los metabolitos de las monoaminas en el líquido cefalorraqufdeo en 48 de los pacientes reveló valores subnormales de ácido 5-hidroxiindolacético (5-HIAA) y ácido hemovalínico (HVA). En el seguimiento 1–1 1/2 anos después de efectuada la cirugía paratiroidea se observó una marcada mejoría en el estado de salud mental en los pacientes (p 〈 0.001) junto con un aumento significativo en los niveles de 5-HIAA y HVA (p 〈 0.05). Nuestros hallazgos demuestran que los síntomas psiquiátricos se encuentran en la mayoría de los pacientes con HPT primario, que los síntomas pueden ser revertidos con la cirugía paratiroidea, y que la severidad de la sintomatología no se relaciona con el grado de hipercalcemia. Los resultados también indican que el HPT está asociado con alteraciones en el recambio de monoaminas en el sistema nervioso central, lo cual posiblemente es de importancia en cuanto a la sintomatología.
    Notes: Abstract This report deals with the psychiatric symptomatology in patients with primary hyperparathyroidism (HPT). In a retrospective search of hospital records, psychiatric symptoms were found in 102 (23%) of 441 patients, 78 of whom had depressive and anxiety states. The presence of psychiatric symptoms was not related to the degree of hypercalcemia. Screening for HPT in 101 old patients hospitalized at a psychogeriatric clinic revealed HPT in 5 (5%) patients. Among 13 patients with organic brain syndrome (e.g., senile dementia) and HPT, 8 patients (with a duration of psychiatric illness of less than 2 years) improved mentally after parathyroid surgery, and could return home or to somatic units. The psychiatric symptomatology was prospectively investigated in 59 consecutive patients with primary HPT (mean serum calcium, 2.89±0.30 mmol/l), using the Comprehensive Psychopathological Rating Scale (CPRS). A majority of the patients had considerable psychiatric symptoms (mean CPRS total score, 13.7±9.1) compared with a healthy control group (mean CPRS total score, 4.4±2.0;p 〈0.001). The most pronounced psychiatric symptoms among the patients were fatiguability, lassitude, failing memory, concentration difficulties, sadness, and inner tension. Analysis of monoamine metabolites in the cerebrospinal fluid in 48 of the patients revealed subnormal values of 5-hydroxyindoleaceticacid (5-HIAA) and homovanillic acid (HVA). At follow-up, 1–1 1/2 years after parathyroid surgery, there was a marked improvement in mental health in the patients (p 〈0.001), together with a significant rise in the levels of 5-HIAA and HVA (p 〈0.05). Our findings demonstrate that psychiatric symptoms are present in a majority of patients with primary HPT, that the symptoms are reversed by parathyroid surgery, and that their severity seems not to be related to the degree of hypercalcemia. The results also indicate that HPT is associated with changes in the central nervous system turnover of monoamines, of possible importance for the symptomatology.
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  • 3
    ISSN: 1749-6632
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Natural Sciences in General
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 1749-6632
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Natural Sciences in General
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 8788-8791 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The linear polarizability, α, and the second hyperpolarizability, γ, of C60 in gas phase have been computed by ab initio cubic response theory in the random phase approximation and with an efficient parallel implementation. With a tailored, well-tested, basis set, containing more than 1000 contracted basis functions the average values of α and γ are predicted to be 8.58×10−23 cm3 and 5.73×10−35 esu, respectively, which are about 8 and 9 times larger than the corresponding values for benzene calculated at the same level of accuracy. © 1997 American Institute of Physics.
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 8552-8563 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The hypermagnetizability and the hypermagnetizability anisotropy of the oxygen molecule are computed using cubic response theory applied to multi-configurational self-consistent field wave functions. The effects of basis set, electron correlation, frequency dispersion, zero point vibrational averaging and pure vibrational contributions are discussed. The result for the anisotropy (Δη=+2.65 a.u. at λ = 632.8 nm), even taking into account possible limitations in the treatment of electron correlation and in the incompleteness of the basis set, maintains a different sign and is more than two orders of magnitude smaller than the experimental values published in the literature. Possible reasons for this large discrepancy are discussed. © 1997 American Institute of Physics.
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  • 7
    ISSN: 1432-2072
    Keywords: Monoamine neurotransmitter systems ; Schizophrenia ; Clozapine ; Neuroleptics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Monoamine neurotransmitter systems are widely thought to be involved in the pathophysiology of affective disorders and schizophrenia and the mechanism of action of antidepressant and antipsychotic drugs. Previous clinical studies have focused on individual monoamine function in isolation, even though a large number of preclinical studies have demonstrated that monoamine neurotransmitter systems interact with one another. In the present paper, preclinical data on monoamine neurotransmitter interactions are reviewed, and two methods for examining monoamine neurotransmitter system interactions in clinical data are presented. One of the best replicated findings in biological psychiatry is that monoamine metabolites in CSF correlate with one another. The degree of correlation may be in part a measure of the degree of interaction between the parent monoamine neurotransmitter systems. Another approach to studying interactions is the use of HVA/5HIAA and HVA/MHPG ratios as an index of interactions between 5HT-DA and NE-DA. When these methods are applied in schizophrenia, patients are found to have decreased monoamine metabolite correlations compared to normal controls. Metabolite correlations increase significantly after antipsychotic treatment, and the HVA/5HIAA and HVA/MHPG ratios also increase, suggesting that neuroleptics may act in part by strengthening interactions between monoamines. BPRS ratings are negatively correlated with HVA/5HIAA and HVA/MHPG so that patients with higher ratios have fewer symptoms, particularly after treatment. These results provide direct experimental support for hypotheses suggesting that interactions between monoamine neurotransmitters are important in schizophrenia. Some of the effects of the atypical neuroleptic, clozapine, on metabolite correlations and ratios are also discussed.
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  • 8
    ISSN: 1432-2072
    Keywords: Naloxone ; Endorphin ; Depression ; Cerebrospinal fluid ; Human subjects
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Various dysphoric states are seen both in mood depression and on taking opiates. On the hypothesis that opiate antagonists would alter mood level, naloxone (Narcan®), 0.4–0.8 mg t.i.d., was given to five depressed patients in six trials for a duration of 6–12 days. The CSF endorphin and monoamine metabolite content was analyzed before and after naloxone treatment. We observed no positive effect on mood level. However, an abrupt worsening of symptoms was noted in two cases on discontinuation of treatment. Decreasing values of endorphin Fraction I as a result of treatment was noted as a general trend. Fraction II, although elevated, showed no distinct trend. 5HIAA increased in four of the six trials. The results suggest that naloxone treatment changes endorphin and serotonin activity, though not to a clinically observable extent.
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  • 9
    ISSN: 1432-2234
    Keywords: Soft X-ray emission ; Molecular X-ray emission ; X-ray intensities ; One-center approximation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Ab initio Hartree-Fock calculations of relative X-ray transition probabilities for core hole states of N2, CO, H2O and NH3 have been carried out and compared with the respective high-resolution soft X-ray spectra. The same one-determinental wavefunctions were employed for both initial and final states and the dependence of the X-ray transition moments on the choice of orbitals and of basis set parameters was investigated. In particular, orbitals optimized for a transition state were tested. The use of the one-center intensity model as a guide for the assignment of second row X-ray spectra was justified at bothab initio and semiempirical (CNDO) levels of approximation. The breakdown of the MO-picture for inner-valence electrons is demonstrated in the X-ray spectrum of N2 and the analogy with the corresponding photoelectron bands is pointed out.
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  • 10
    ISSN: 1432-2234
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract We demonstrate the applicability of a recently derived cubic response function formalism for performing fully analytical calculations of hypermagnetizabilities, their anisotropy and their dispersion. The calculations involve the noble gas atoms, He, Ne, and Ar, and the corresponding isoelectronic halogen anions and alkali cations.
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