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  • 1990-1994  (1)
  • 1970-1974  (1)
  • 1960-1964  (2)
  • 1905-1909
  • Chemical Engineering  (3)
  • Artificial intelligence  (1)
Material
Years
Year
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of computer aided molecular design 7 (1993), S. 127-153 
    ISSN: 1573-4951
    Keywords: Artificial intelligence ; De novo design ; Molecule design ; Enzyme inhibitors
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary SPROUT is a new computer program for constrained structure generation that is designed to generate molecules for a range of applications in molecular recognition. It uses artificial intelligence techniques to moderate the combinatorial explosion that is inherent in structure generation. The program is presented here for the design of enzyme inhibitors. Structure generation is divided into two phases: (i) primary structure generation to produce molecular graphs to fit the steric constraints; and (ii) secondary structure generation which is the process of introducing appropriate functionality to the graphs to produce molecules that satisfy the secondary constraints, e.g., electrostatics and hydrophobicity. Primary structure generation has been tested on two enzyme receptor sites; the p-amidino-phenyl-pyruvate binding site of trypsin and the acetyl pepstatin binding site of HIV-1 protease. The program successfully generates structures that resemble known substrates and, more importantly, the predictive power of the program has been demonstrated by its ability to suggest novel structures.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 20 (1974), S. 966-974 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: With a Mach-Zehnder interferometer, salt concentration profiles were measured in a reverse osmosis system under natural convection with the membrane in a vertical position. The measured concentration profiles compared favorably with those predicted theoretically as long as the motion remained laminar. At large distances from the leading edge, however, the flow developed a wavy pattern, especially for bulk salt concentrations in excess of 0.1 moles/liter. As expected, whenever this motion became especially pronounced, the concentration of salt at the membrane surface was less and the production rate of fresh water greater than that predicted using the laminar analysis.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 6 (1960), S. 145-149 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The transfer rates of n-butanol, cyclohexanol, and ethyl acetate into water drops have been measured for circulating and oscillating drops.Methods of allowing for the end-effect transfer have been extended and measured values compared with predictions of a model.Various mechanisms for transfer inside drops have been examined in terms of a correlation factor.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 6 (1960), S. 373-381 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The performance of sieve trays in the rectification of the methanol-water system without entrainment or leakage from the perforations was studied in an 8-in.-diameter five-tray column. The trays had a 2-in. weir height and 4-in. length of liquid path. Three tray geometries were studied: 1/4-in. diameter holes on 3/4-in. triangular spacing, 1/8-in. holes on 3/8-in. triangular spacing, and 3/16-in. on 7/16-in. triangular spacing. The superficial vapor velocity was varied from 2.2 ft./sec. to the limit of stable operation, which for this apparatus was 4.4 ft./sec. The ratio LM/VM within the column was varied from 1 to 0.5. The Murphree plate efficiency varied greatly from 105% at low concentration to 82% at high concentrations of methanol. Variations of 10 or 12 efficiency % were noted owing to changing velocities and tray geometries. Measurements of concentration gradients, foam heights, and gas pressure drops are also reported. This paper proposes a method of calculating the point efficiency and the number of individual-phase mass transfer units independent of the actual concentration gradient on the tray.The method is applied to the methanol-water data, and calculated point efficiencies range from 50 to 65%. The value of 1/NL for the methanol-water system is found to be small. The values of NG and the effect of the velocity on NG are believed to be the first in the literature for a tray in distillation operation. The effect of velocity is shown to be in agreement with the theory proposed by Gerster and co-workers. It is shown that kG' aG decreases for increasing free area and increasing hole size. Finally variation in LM/VM is shown to have little effect on EMV.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
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