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  • 1995-1999  (7)
  • Computational Chemistry and Molecular Modeling  (5)
  • Acute pancreatitis  (2)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Langenbeck's archives of surgery 382 (1997), S. 367-372 
    ISSN: 1435-2451
    Keywords: Key words Procalcitonin ; Clinical application ; Sepsis ; Acute pancreatitis ; Schlüsselwörter Prokalzitonin ; Klinische Applikation ; Sepsis ; Akute Pankreatitis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Prokalzitonin (PCT) ist ein Protein, welches bei systemischen Infektionen mit Bakterien, Pilzen und Protozoen in erhöhter Konzentration im Blut nachgewiesen werden kann. Bei operativen Traumen steigt PCT im Gegensatz zu den klassischen Akute-Phase-Proteinen, wie C-reaktivem Protein oder Interleukin-6, nicht oder nur marginal an. Somit ist es möglich, mit Hilfe eines Laborparameters systemische Infektionen postoperativ zu erkennen. In dieser Arbeit werden aus heutiger Sicht die vermuteten Induktionsmechanismen der PCT-Synthese durch Zytokine und bakterielle Endotoxine dargestellt. Außerdem werden klinische Anwendungen der PCT-Messung mit Beispielen aus der Abdominal- und Transplantationschirurgie vorgestellt. In eigenen Untersuchungen konnten wir am Aufnahmetag bei 8 Patienten mit nekrotisierender Pankreatitis einen PCT-Mittelwert von 6,9 ng/ml messen. Weitere 7 Patienten mit ödematöser Pankreatitis wiesen einen PCT-Mittelwert von nur 0,67 ng/ml auf. Trotz des deutlichen Unterschieds in den Mittelwerten konnte keine statistisch signifikante Differenz zwischen Normalwerten und nekrotisierender Pankreatitis einerseits oder Normwerten und ödematöser Pankreatitis andererseits festgestellt werden. Die Ursache hierfür lag in der großen Streubreite der PCT-Werte in der Gruppe mit nekrotisierender Pankreatitis (0,33 – 32,9 ng/ml). Diese große Variation der Werte ist möglicherweise dadurch bedingt, daß nur ein Teil der Patienten schon frühzeitig eine bakterielle Superinfektion der Nekrose mit konsekutiver PCT-Erhöhung aufwies. Wir vermuten, daß eine Unterscheidung zwischen superinfizierter nekrotisierender Pankreatitis einerseits und nekrotisierender steriler Pankreatitis bzw. ödematöser Pankreatitis andererseits mittels PCT-Messungen möglich ist, jedoch sind größere Studien mit einer mikrobiologischen Untersuchung des nekrotischen Materials und Blutkulturen notwendig, um den endgültigen Stellenwert der PCT-Bestimmung im klinischen Alltag, besonders in der Prognoseabschätzung der akuten Pankreatitis, unter Beweis zu stellen.
    Notes: Abstract Procalcitonin is a protein which is found in elevated concentrations in the blood circulation during systemic bacterial, fungal or protozoal infection. In contrast to classical acute-phase proteins like C-reactive protein or interleukin-6, it is not elevated after operative trauma. In this paper we present current opinions on the assumed induction mechanisms of the protein by cytokines and endotoxin. Furthermore, the clinical value for early detection of systemic infections in abdominal and transplantation surgery is demonstrated by examples from the literature. Our investigation shows that eight patients with necrotizing pancreatitis had a PCT mean value of 6.9 ng/ml on the day of admission. Seven patients with edematous pancreatitis had only a PCT mean value of 0.69 ng/ml. Despite these differences in the mean values, a significant difference between the normal value and the mean value of the group with necrotizing pancreatitis or edematous pancreatitis was not observed due to the wide range of PCT levels in the group of patients with necrotizing pancreatitis. The fact that only a few of the patients had a superinfected necrosis with systemic evasion of bacterias or their toxins may be the reason for this wide range. We suggest that a discrimination between superinfected necrotizing or sterile pancreatitis and edematous pancreatitis by PCT could be possible but more extensive studies with microbiological examination of the necrotic material are required to recognize the subgroups and to establish the real diagnostic efficiency of PCT in clinical practice, especially in the prediction of the outcome of acute pancreatitis.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Langenbeck's archives of surgery 382 (1997), S. 367-372 
    ISSN: 1435-2451
    Keywords: Procalcitonin ; Clinical application ; Sepsis ; Acute pancreatitis ; Prokalzitonin ; Klinische Applikation ; Sepsis ; Akute Pankreatitis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Prokalzitonin (PCT) ist ein Protein, welches bei systemischen Infektionen mit Bakterien, Pilzen und Protozoen in erhöhter Konzentration im Blut nachgewiesen werden kann. Bei operativen Traumen steigt PCT im Gegensatz zu den klassischen Akute-Phase-Proteinen, wie C-reaktivem Protein oder Interleukin-6, nicht oder nur marginal an. Somit ist es möglich, mit Hilfe eines Laborparameters systemische Infektionen postoperativ zu erkennen. In dieser Arbeit werden aus heutiger Sicht die vermuteten Induktionsmechanismen der PCT-Synthese durch Zytokine und bakterielle Endotoxine dargestellt. Außerdem werden klinische Anwendungen der PCT-Messung mit Beispielen aus der Abdominal- und Transplantationschirurgie vorgestellt. In eigenen Untersuchungen konnten wir am Aufnahmetag bei 8 Patienten mit nekrotisierender Pankreatitis einen PCT-Mittelwert von 6,9 ng/ml messen. Weitere 7 Patienten mit ödematöser Pankreatitis wiesen einen PCT-Mittelwert von nur 0,67 ng/ml auf. Trotz des deutlichen Unterschieds in den Mittelwerten konnte keine statistisch signifikante Differenz zwischen Normalwerten und nekrotisierender Pankreatitis einerseits oder Normwerten und ödematöser Pankreatitis andererseits festgestellt werden. Die Ursache hierfür lag in der großen Streubreite der PCT-Werte in der Gruppe mit nekrotisierender Pankreatitis (0,33–32,9 ng/ml). Diese große Variation der Werte ist möglicherweise dadurch bedingt, daß nur ein Teil der Patienten schon frühzeitig eine bakterielle Superinfektion der Nekrose mit konsekutiver PCT-Erhöhung aufwies. Wir vermuten, daß eine Unterscheidung zwischen superinfizierter nekrotisierender Pankreatitis einerseits und nekrotisierender steriler Pankreatitis bzw. ödematöser Pankreatitis andererseits mittels PCT-Messungen möglich ist, jedoch sind größere Studien mit einer mikrobiologischen Untersuchung des nekrotischen Materials und Blutkulturen notwendig, um den endgültigen Stellenwert der PCT-Bestimmung im klinischen Alltag, besonders in der Prognoseabschätzung der akuten Pankreatitis, unter Beweis zu stellen.
    Notes: Abstract Procalcitonin is a protein which is found in elevated concentrations in the blood circulation during systemic bacterial, fungal or protozoal infection. In contrast to classical acute-phase proteins like C-reactive protein or interleukin-6, it is not elevated after operative trauma. In this paper we present current opinions on the assumed induction mechanisms of the protein by cytokines and endotoxin. Furthermore, the clinical value for early detection of systemic infections in abdominal and transplantation surgery is demonstrated by examples from the literature. Our investigation shows that eight patients with necrotizing pancreatitis had a PCT mean value of 6.9 ng/ml on the day of admission. Seven patients with edematous pancreatitis had only a PCT mean value of 0.69 ng/ml. Despite these differences in the mean values, a significant difference between the normal value and the mean value of the group with necrotizing pancreatitis or edematous pancreatitis was not observed due to the wide range of PCT levels in the group of patients with necrotizing pancreatitis. The fact that only a few of the patients had a superinfected necrosis with systemic evasion of bacterias or their toxins may be the reason for this wide range. We suggest that a discrimination between superinfected necrotizing or sterile pancreatitis and edematous pancreatitis by PCT could be possible but more extensive studies with microbiological examination of the necrotic material are required to recognize the subgroups and to establish the real diagnostic efficiency of PCT in clinical practice, especially in the prediction of the outcome of acute pancreatitis.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 60 (1996), S. 649-655 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Using ab initio HF/6-31G** and MP2/6-31G** calculations alternative reactions HC(OH)3 → HCO2H + H2O and HC(OH)3 + H2O → HCO2H + 2H2O are investigated and the results are compared with relevant PM3, HF/3-21G, and HF/6-31G data. Reactant and product complexes as well as transition states are located on corresponding potential energy surfaces. © 1996 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 62 (1997), S. 315-322 
    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 alternative dehydration reactions C(OH)4 → (HO)2CO + H2O and C(OH)4 + H2O → (HO)2CO + 2H2O are studied by ab initio Becke3LYP/6-311 + G** and MP2/6-31G** methods. Calculated energy and geometry characteristics of intermediates and transition states predict a catalytic effect of one water molecule and the exothermism of the transformations. Relevant HF/6-311 + G**, HF/6-31G**, HF/6-31G, and HF/3-21G calculations were performed for comparison. © 1997 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 56 (1995), S. 791-799 
    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 possibility of an antiferromagnetic phase in a two-dimensional electron gas is investigated within the density functional formalism of phase transitions. © 1995 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 58 (1996), S. 47-55 
    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 alternative decomposition reactions CH2(OH)2 → CH2O + H2O and CH2(OH)2 + H2O → CH2O + 2H2O are investigated using the semiempirical PM3 as well as the ab initio HF/3-21G, HF/6-31G, HF/6-31G**, and MP2/6-31G** calculations. Reactants, products, and appropriate transition states are located on corresponding potential energy surfaces and compared with those reported in earlier studies. © 1996 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 16 (1995), S. 146-153 
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Results from ab initio self-consistent field (SCF) calculations with a 3-21G and a double-zeta-plus polarization (DZP) basis set on four low-energy conformations of cyclohexaglycine are reported. In agreement with results from semiempirical and molecular mechanics force field calculations, the lowest-energy conformation found at the DZP level is a conformation forming six C7 turns. However, the energy difference to the β-turn conformers is significantly smaller at the ab initio DZP level than calculated by the other methods. In contrast to the results obtained with some of the other methods, the present ab initio calculations show that both the double-type-I β turn and the double-type-II β-turn conformer of cyclohexaglycine are stable low-energy structures. © 1995 by John Wiley & Sons, Inc.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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