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Facilitating Nitrification Inhibition through Green, Mechanochemical Synthesis of a Novel Nitrapyrin Complex
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2021-09-13 , DOI: 10.1021/acs.cgd.1c00681
Lucia Casali 1 , Valquiria Broll 2 , Stefano Ciurli 2 , Franziska Emmerling 3 , Dario Braga 1 , Fabrizia Grepioni 1
Affiliation  

Nitrapyrin (NP) is applied to cultivated soils to inhibit the enzymatic activity of ammonia monooxygenase (AMO), but its poor aqueous solubility and high volatility severely limit its application. β-Cyclodextrin (β-CD) is commonly used to form inclusion complexes with hydrophobic molecules, improving water solubility and stability upon complexation. Here we report on the mechanochemical synthesis of the inclusion complex β-CD·NP, characterized via a combination of solid-state techniques, including ex-situ and in situ X-ray diffraction, Raman and NMR spectroscopies, transmission electron microscopy, and energy dispersive X-ray spectroscopy. The pure inhibitor NP was also structurally characterized. The β-CD·NP complex presents improved solubility and thermal stability, and still inhibits the enzymatic activity of AMO with high efficacy. All results indicate that the inclusion of NP into β-CD represents a viable route for the preparation of a novel class of inhibitors, with improved properties related to stability, water solubility, and good inhibition activity.

中文翻译:

通过绿色、机械化学合成新型硝基吡喃复合物促进硝化抑制

Nitrapyrin (NP) 用于耕作土壤以抑制氨单加氧酶 (AMO) 的酶活性,但其水溶性差和挥发性高,严重限制了其应用。β-环糊精 (β-CD) 通常用于与疏水性分子形成包合物,提高水溶性和络合稳定性。在这里,我们报告了包合物 β-CD·NP 的机械化学合成,通过固态技术的组合表征,包括非原位原位X 射线衍射、拉曼和核磁共振光谱、透射电子显微镜和能量色散 X 射线光谱。还对纯抑制剂 NP 进行了结构表征。β-CD·NP 复合物具有改善的溶解性和热稳定性,并且仍能高效抑制 AMO 的酶活性。所有结果表明,将 NP 包含在 β-CD 中代表了制备一类新型抑制剂的可行途径,其具有与稳定性、水溶性和良好抑制活性相关的改进特性。
更新日期:2021-10-06
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