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    • 7. 发明授权
    • Analytical process to determine biodegradability of chelants containing
a double carboxy containing moiety
    • 用于确定含有双羧基部分的螯合剂的生物降解性的分析方法
    • US5776763A
    • 1998-07-07
    • US607253
    • 1996-03-04
    • Alan D. Strickland
    • Alan D. Strickland
    • G01N33/50C11D3/33C23C18/40G01N33/00G01N33/24G01N33/48C12S13/00C07D207/00
    • G01N33/48G01N2033/243Y10S423/17
    • An analytical process for determining the biodegradability of chelants containing a double carboxyl-containing moiety of specified formula, based on the atomic distances between the carboxyl moieties, is disclosed. According to this process the biodegradability of a chelant can be rapidly determined by determining whether the distance between the carboxyl carbon atoms ("Distance A") falls within the range of from about 3.81.times.10.sup.-10 m to about 3.86.times.10.sup.-10 m; the distance between the carboxyl double bonded oxygen atoms ("Distance B") falls within the range from about 5.13.times.10.sup.-10 to about 5.52.times.10.sup.-10 m; and the distance between the carboxyl hydroxy oxygen atoms ("Distance C") falls within a range of from about 5.28.times.10.sup.- m to about 6.09.times.10.sup.-10 m; and whether the lowest unoccupied molecular orbital (LUMO) is on at least one carboxyl carbon atom of the moiety. If all of the above criteria are met, the compound is predicted to be biodegradable.
    • 公开了一种用于基于羧基部分之间的原子距离来确定含有具有规定式的双羧基部分的螯合剂的生物降解性的分析方法。 根据该方法,通过确定羧基碳原子之间的距离(“距离A”)是否在约3.81×10 -10 m至约3.86×10 -10 m的范围内,可以快速确定螯合剂的生物降解性; 羧基双键氧原子之间的距离(“距离B”)落在约5.13×10-10至约5.52×10-10 m的范围内; 并且羧基羟基氧原子之间的距离(“距离C”)落在约5.28×10-m至约6.09×10 -10 m的范围内; 以及最低未占分子轨道(LUMO)是否在该部分的至少一个羧基碳原子上。 如果满足上述所有标准,则该化合物被预测为可生物降解的。