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  • 1
    Electronic Resource
    Electronic Resource
    Molecular structure matching by simulated annealing. I. A comparison between different cooling schedules (1990)
    Springer
    Journal of computer aided molecular design 4 (1990), S. 295-316 
    Details
    ISSN: 1573-4951
    Keywords: Molecular similarity ; Molecular matching ; Simulated annealing
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary This paper outlines an application of the theory of simulated annealing to molecular matching problems. Three cooling schedules are examined: linear, exponential and dynamic cooling. The objective function is the sum of the elements of the difference distance matrix between the two molecules generated by continual reordering of one molecule. Extensive tests of the algorithms have been performed on random coordinate data together with two related protein structures. Combinatorial problems, inherent in the assignment of atom correspondences, are effectively overcome by simulated annealing. The algorithms outlined here can readily optimize molecular matching problems with 150 atoms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00125017
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  • 2
    Electronic Resource
    Electronic Resource
    Molecular structure matching by simulated annealing. II. An exploration of the evolution of configuration landscape problems (1990)
    Springer
    Journal of computer aided molecular design 4 (1990), S. 317-330 
    Details
    ISSN: 1573-4951
    Keywords: Simulated annealing ; Molecular matching ; Molecular similarity ; Dihydrofolate reductase ; Configuration landscape
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary This paper considers some of the landscape problems encountered in matching molecules by simulated annealing. Although the method is in theory ergodic, the global minimum in the objective function is not always encountered. Factors inherent in the molecular data that lead the trajectory of the minimization away from its optimal route are analysed. Segments comprised of the Cα atoms of dihydrofolate reductase are used as test data. The evolution of a reverse ordering landscape problem is examined in detail. Where such patterns in the data could lead to incorrect matches, the problem can in part be circumvented by assigning an initial random ordering to the molecules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00125018
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  • 3
    Electronic Resource
    Electronic Resource
    Molecular structure matching by simulated annealing. III. The incorporation of null correspondences into the matching problem (1991)
    Springer
    Journal of computer aided molecular design 5 (1991), S. 107-117 
    Details
    ISSN: 1573-4951
    Keywords: Simulated annealing ; Molecular matching ; Null correspondences
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary This paper extends an application of the method of simulated annealing for molecular matching so that the best common subsets of atom positions can be identified. Null correspondences are introduced into the difference distance matrix to enable poorly matched positions to be ignored in minimizing the objective function. The efficiency of the algorithm in finding correct subsets is rigorously tested.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00129750
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  • 4
    Electronic Resource
    Electronic Resource
    Crystal and molecular structure of a new withanolideThe name withanolide has been given to this type of steroidal lactone characterized by a 9-C atom side chain with a 6-membered ring lactone.. Isomeric with withaferin a isolated from withania obtusifolia dun (1986)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 328 (1986), S. 291-294 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19863280220
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  • 5
    Electronic Resource
    Electronic Resource
    Macromolecular engineering of polylactones and polylactides. XXI. Controlled synthesis of low molecular weight polylactide macromonomers (1996)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 34 (1996), S. 497-502 
    Details
    ISSN: 0887-624X
    Keywords: polylactides ; macromonomers ; ring-opening polymerization ; coordination-insertion ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: No abstract.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Macromolecular engineering of polylactones and polylactides. XV. Poly(D,L)-lactide macromonomers as precursors of biocompatible graft copolymers and bioerodible gels (1994)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 32 (1994), S. 2099-2110 
    Details
    ISSN: 0887-624X
    Keywords: polylactide ; macromonomer ; ring-opening polymerization ; graft copolymers ; amphiphilic gel ; biocompatible ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The functional aluminum alkoxide, Et2Al—O—(CH2)2—O-C(O)—C(CH3)=CH2, is a very effective initiator for the (D,L)-lactide (LA) polymerization in toluene at 707deg;C. The coordination-insertion type of polymerization is living and exclusively yields linear P (D,L)-lactide macromonomers of a predictable molecular weight and a narrow molecular weight distribution. IR and 1H-NMR studies show that the methacryloyl group of the initiator is selectively and quantitatively attached to one chain end, whereas the second extremity is systematically a hydroxyl function resulting from the hydrolysis of the living growing site. α,ω-Dimethacryloyl-P(D,L)-lactides, i.e., α,ω-macromonomers, have also been successfully synthesized by the additional control of the termination step, i.e., by reaction of Al alkoxide end groups with methacryloyl chloride. α-Macromonomer and α,ω-macromonomer P(D,L)-lactides are easily free-radical copolymerized with 2-hydroxyethyl methacrylate (HEMA), resulting in a hydrophilic poly (HEMA) backbone grafted with hydrophobic P(D,L)-lactide subchains and a biodegradable amphiphilic network, respectively. © 1994 John Wiley & Sons, Inc.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pola.1994.080321112
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  • 7
    Electronic Resource
    Electronic Resource
    Macromolecular engineering of polylactones and polylactides. X. Selective end-functionalization of poly(D,L)-lactide (1993)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 31 (1993), S. 505-514 
    Details
    ISSN: 0887-624X
    Keywords: polylactide ; end-functionalization ; living polymerization ; kinetics ; mechanism ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Functional aluminum alkoxides, such as Et3-pAl(O—CH2—X)p, where p = 1,3 and X = a functional group, are very effective initiators for the (D, L)-lactide polymerization in toluene at 70°C. The coordination-insertion type of polymerization is living. Linear polyesters of a predictable molecular weight and a narrow molecular weight distribution are obtained within the period of time required for the total monomer conversion. The functional group (X) associated with the active alkoxy group of the initiator is selectively and quantitatively attached to one chain end, whereas the second end group is systematically a hydroxyl function resulting from the hydrolysis of the living growing site. Asymmetric telechelic polylactides are thus obtained in a perfectly controlled way. A kinetic study has shown that the polymerization is first order in both the monomer and initiator. © 1993 John Wiley & Sons, Inc.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pola.1993.080310222
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  • 8
    Electronic Resource
    Electronic Resource
    Corrosion Inhibition of mild steel in aqueous solution containing H2S by some naturally occurring substances (1998)
    Weinheim : Wiley-Blackwell
    Materialwissenschaft und Werkstofftechnik 29 (1998), S. 365-370 
    Details
    ISSN: 0933-5137
    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: The corrosion inhibition of mild steel by some naturally occuring substance was evaluated in absence and presence of 600 and 1200 mg H2S/l in 3% NaCl aqueous solution and pH of 3 and temperature of 25 °C. These naturally occurring substance included the water extracts, coumarines and fatty matters extracts of some Egyptian plants. These plants included:(1) Nigella Sativa (Family Ranunculacease) (Extract (1), 2) Coriandrum Sativum (Family Umbelliferea) (Extract II), 3) Ricinus communis (Family Euphorbiaceae) (Extract III). The galvanostatic anodic and cathodic polarization measurements were used for studying the corrosion behavior of mild steel and evaluation of the percentage inhibition of the undertesting extracts of these three plants and also preparation of fatty matters and coumarin fractions were mentioned.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mawe.19980290709
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  • 9
    Electronic Resource
    Electronic Resource
    Computerized GC/MS detection of monoaromatic and triaromatic steroid hydrocarbons in Alamein crude oil (1994)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994), S. 549-552 
    Details
    ISSN: 0935-6304
    Keywords: GC/MS ; Crude oils ; Monoaromatic steroids ; Triaromatic steroids ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Series of C-ring monoaromatic steroid hydrocarbons (C21, C22, C27 — C29) and triaromatic steroid hydrocarbons (C20, C21, C26 — C28) have been recognized in the aromatic hydrocarbon fraction of Alamein crude oil from the western desert, Egypt. Detection of these compounds were based on mass fragmentography of the key ions m/z 253 and m/z 231 and comparison of the mass spectra and relative retention times with literature data. The predominance of the C29 monoaromatic steroids and C28 triaromatic steroids provide further evidence for a land plant origin of Alamein oil. The results substantiate previous evidence of the occurrence of an aromatization process with increasing maturation and indicate a moderate maturity level for Alamein oil.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240170708
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  • 10
    Electronic Resource
    Electronic Resource
    Corrosion inhibition of mild steel by amphoteric surfactants derived from aspartic acid (1993)
    Weinheim [u.a.] : Wiley-Blackwell
    Materials and Corrosion/Werkstoffe und Korrosion 44 (1993), S. 304-308 
    Details
    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
    Description / Table of Contents: Inhibierung der Korrosion von Flußstahl durch von Asparaginsäure abgeleitete amphotere TensideDie Inhibierung der Korrosion von Flußstahl in 0,5 m Salzsäure durch amphotere Tenside (die sowohl eine anodische als auch eine kationische Einheit in einem Molekül enthalten) der allgemeinen Formel (mit R = Alkylgruppe mit C10, 11, 12, 13, 15 und 17) ist durch die Langmuir'schen Adsorptionsisothermen zu erklären. Bei einer gegebenen Tensidkonzentration nimmt die inhibierende Wirkung mit der Länge der Kohlenstoffkette zu. Zu erwähnen ist auch der Einfluß von induktiven und sterischen Behinderungseffekten durch Methylengruppen (in -R) auf den Hemmwert.
    Notes: The inhibition of mild steel corrosion/in 0.5 M HCl solution by amphoteric surfactants (which contain both an anionic and a cationic moiety in the same molecule) of general formula: (R alkyl group of C10, 11, 12, 13, 15 and 17) is shown to confirm Langmuir's adsorption isotherms. At a given concentration of surfactants, the inhibiting action increases with the increase of carbon chain length. The influence of both inductive and steric hindrance effects of methylene groups in -R on the inhibition efficiency has also been mentioned.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/maco.19930440705
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