ZIB

1

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Applicability of a continuum solvation model to the octanol water transfer: CFF91 based model for amino acids (1995)

Schmidt, A. B. ; Fine, R. M.

New York : Wiley-Blackwell

Biopolymers 36 (1995), S. 599-605

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ISSN: 0006-3525

Keywords: Chemistry ; Polymer and Materials Science

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: A continuum hydration model based upon the atomic charges provided with the CFF91 force field [A. B. Schmidt and R. M. Fine (1994) Molecular Simulation, 13. 347-365] has been extended to the octanol-water transfer. The electrostatic component of the transfer free energy is calculated using the finite-difference solution to the Poisson-Boltzmann equation while the nonpolar contributions are assumed to be proportional to the solute-excluded volume in water. All atomic charges and radii besides the aromatic carbon radius are equal in both solvents. The octanol dielectric constant and the probe radius are the main fitting parameters defining the octanol phase. The model has been tested for 38 organic molecules related to the amino acid residues and generally provides a high accuracy. In particular, the mean unsigned error for N-acetyl amino acid amides is 0.5 kcal/mol. © 1995 John Wiley & Sons, Inc.

Additional Material: 4 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/bip.360360505

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2

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Eine neue methode zur herstellung von hydroxyterminierten polydienen (1990)

Trathnigg, B. ; Krause, D. ; Dworczak, R. ; [et al.]

Weinheim : Wiley-Blackwell

Angewandte Makromolekulare Chemie 174 (1990), S. 69-80

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ISSN: 0003-3146

Keywords: Chemistry ; Polymer and Materials Science

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Physics

Description / Table of Contents: It is shown, that hydroxyterminated polydienes of good microstructure and functionality and a narrow molecular weight distribution can be prepared using di-hydroxyethyl-azo-bis-isobutyramide as an initiator. The activation energy of the initiator decay has been determined by volumetric measurement of the nitrogen evolved in this reaction.

Notes: Es wird gezeigt, daß hydroxyterminierte Polydiene mit guter Mikrostruktur und Funktionalität sowie enger Molekulargewichtsverteilung unter Verwendung von Azobis-isobuttersäure-di-hydroxyethylamid hergestellt werden können. Die Aktivierungsenergie des Initiatorzerfalls wurde durch volumetrische Messung des bei dieser Reaktion freiwerdenden Strickstoffs bestimmt.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/apmc.1990.051740106

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3

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Metallorganische CO2-Speichersysteme aus Nickel(0)-1-azadieneinheiten und ihre Reaktivität bei der Carboxylierung von Acetophenon (1995)

Walther, Dirk ; Geßer, Susann ; Ritter, Uwe ; [et al.]

Weinheim : Wiley-Blackwell

Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 281-287

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ISSN: 0009-2940

Keywords: Carbon dioxide fixation ; 1-Azadiene ligands ; Nickel(0) complexes ; Carboxylation ; Chemistry ; Inorganic Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Organometallic CO2 Reservoires from Nickel(0)-1-Azadiene-Type Ligands and Their Reactivity in the Carboxylation of Acetophenone1-Azadiene-type ligands yield with nickel(0) binuclear organometallic compounds of the type [Ni(1-azadiene)n,]2 (n = 1, 2). The structures of the complexes 1 (n = 2, ligand A) and 3 (n = 1, ligand C) have been characterized by X-ray crystallography. 1 is unreactive towards CO2, 3 and similar compounds are able to react with CO2 to give metallacyclic carbamato complexes of Ni(II). In these compounds CO2 is activated and can carboxylate acetophenone to yield benzoylic acid upon protolysis. These reactions mimic biologic conversion reactions of CO2 into organic material by organometallics. - The addition of two moles of the (bpy)Ni(0)-fragment [from (bpy)Ni(COD)] to 3 gives the tetranuclear complex 6. The X-ray analysis of the monomeric model compound (bi-py)Ni(A) (11) shows that only the olefin part is coordinated. 6 and 11 can also react with CO2. Cu(I) complexes with 1-azadiene-type ligands are not reactive towards CO2.

Additional Material: 7 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/cber.19951280312

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4

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Die optimale Verdünnung bei der Filtration viscoser Flüssigkeiten (1952)

Orlicek, A. F. ; Schmidt, A.

Weinheim : Wiley-Blackwell

Chemie Ingenieur Technik - CIT 24 (1952), S. 457-462

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ISSN: 0009-286X

Keywords: Chemistry ; Industrial Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology

Notes: Es wird eine Gleichung abgeleitet, die für ein Mineralöl und ein Verdünnungsmittel jenes Mischungsverhältnis ergibt, bei welchem die Mischung die kürzeste Filtrationszeit aufweist. Für die numerische Auswertung wurde ein Nomogramm ausgearbeitet, in dem die optimale Verdünnung aus der Viscosität des zu filtrierenden Öles und jener des Verdünnungsmittels unmittelbar abgelesen werden kann.

Additional Material: 1 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/cite.330240807

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5

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Graphit als Werkstoff im chemischen Apparatebau (1951)

Schmidt, A.

Weinheim [u.a.] : Wiley-Blackwell

Materials and Corrosion/Werkstoffe und Korrosion 2 (1951), S. 93-95

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ISSN: 0947-5117

Keywords: Chemistry ; Polymer and Materials Science

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics

Notes: Allgemeine Eignung von Graphit als Apparatewerkstoff - Entwicklung von Graphitwärmeaustauschern durch die I. G. Farbenindustrie, Bitterfeld - Imprägniermittel und -verfahren zur Verringerung der Porosität des Graphits - Verbindung von Bauelementen aus Graphit.

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/maco.19510020304

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6

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Die sprengtechnisch wichtigen Eigenschaften explosibler Gasgemische und der Einfluß einer starken Vorverdichtung auf eine Erhöhung ihrer Sprengwirkung (1928)

Haid, A. ; Schmidt, A.

Weinheim : Wiley-Blackwell

Zeitschrift für die chemische Industrie 41 (1928), S. 1309-1312

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ISSN: 0044-8249

Keywords: Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Additional Material: 3 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/ange.19280415003

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7

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Zur Frage der Entstehung von Steinkohlen (1931)

Berl, E. ; Schmidt, A. ; Koch, H.

Weinheim : Wiley-Blackwell

Zeitschrift für die chemische Industrie 44 (1931), S. 329-330

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ISSN: 0044-8249

Keywords: Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/ange.19310441806

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8

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Über die Entstehung der Kohlen (1932)

Berl, E. ; Schmidt, A. ; Koch, H.

Weinheim : Wiley-Blackwell

Zeitschrift für die chemische Industrie 45 (1932), S. 517-519

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ISSN: 0044-8249

Keywords: Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/ange.19320453202

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9

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Strukturen und Reaktionen der Umsetzungsprodukte von Cyanwasserstoff mit Halogenwasserstoffen (1966)

Allenstein (Vortr.), E. ; Schmidt, A. ; Beyl, V.

Weinheim : Wiley-Blackwell

Zeitschrift für die chemische Industrie 78 (1966), S. 452-452

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ISSN: 0044-8249

Keywords: Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/ange.19660780814

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10

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Über den Einfluß von Wasserdampf und Chlorwasserstoff auf die Zersetzungsgeschwindigkeit von Ammoniak (1925)

Schmidt, A.

Weinheim : Wiley-Blackwell

Zeitschrift für die chemische Industrie 38 (1925), S. 1146-1154

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ISSN: 0044-8249

Keywords: Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/ange.19250385004

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