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Evaluation of novel Griess-reagent candidates for nitrite sensing in aqueous media identified via molecular fingerprint searching

机译:通过分子指纹搜索鉴定用于水介质中亚硝酸盐感测的新型格里斯试剂候选物的评价

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The Griess reaction is the most often exploited colorimetric method for the quantitative analysis of nitrite in aqueous media. The application of the currently used reagents are associated with limitations ( e.g. linear response range). Herein, molecular fingerprint searching on well-known Griess-reagents was used as a tool for the identification of structurally similar, new reagent candidate molecules. Rapid and high-throughput experimental evaluation of the newly identified Griess-reagent candidates revealed that 14 of the 18 tested reagent candidates had equal or superior response displaying broader linear ranges and/or increased response gradient against various nitrite concentrations in aqueous media when compared to the parent compounds at room temperature.
机译:Griess反应是用于定量分析水性介质中亚硝酸盐的最常用的比色法。当前使用的试剂的应用与局限性(例如线性响应范围)有关。在此,使用在著名的Griess试剂上进行分子指纹搜索作为鉴定结构相似的新试剂候选分子的工具。对新鉴定的Griess试剂候选者的快速且高通量的实验评估表明,与18%的Griess试剂候选者相比,在测试的18种候选试剂中,有14种具有相同或更高的响应,表现出更宽的线性范围和/或对水介质中各种亚硝酸盐浓度的响应梯度。母体化合物在室温下。

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