Kuz'micheva Galina, Trigub Alexander, Rogachev Alexander, Dorokhov Andrey, Domoroshchina Elena
Research and Educational Center "Multi-scale Materials Engineering", MIREA-Russian Technological University, 119454 Moscow, Russia.
National Research Center "Kurchatov Institute", 123182 Moscow, Russia.
Molecules. 2024 Aug 25;29(17):4023. doi: 10.3390/molecules29174023.
This work presents the results of studying dilute aqueous solutions of commercial (NO) · HO salts with = Ce-Lu using X-ray diffraction (XRD), IR spectroscopy, X-ray absorption spectroscopy (XAS: EXAFS/XANES), and pH measurements. As a reference point, XRD and XAS measurements for characterized (NO) · HO microcrystalline powder samples were performed. The local structure of -nitrate complexes in 20 mM (NO) · HO aqueous solution was studied under total external reflection conditions and EXAFS geometry was applied to obtain high-quality EXAFS data for solutions with low concentrations of ions. Results obtained by EXAFS spectroscopy showed significant contraction of the first coordination sphere during the dissolution process for metal ions located in the middle of the lanthanide series. It was established that in (NO) · HO solutions with = Ce, Sm, Gd, Yb (c = 134, 100, 50 and 20 mM) there are coordinated and, to a greater extent, non-coordinated nitrate groups with bidentate and predominantly monodentate bonds with ions, the number of which increases upon transition from cerium to ytterbium. For the first time, the antibacterial and antifungal activity of (NO) · HO = Ce, Sm, Gd, Tb, Yb solutions with different concentrations and pH was presented. Cross-relationships between the concentration of solutions and antimicrobial activity with the type of = Ce, Sm, Gd, Tb, Yb were established, as well as the absence of biocidal properties of solutions with a concentration of 20 mM, except for = Yb. The important role of experimental conditions in obtaining and interpreting the results was noted.
本工作展示了使用X射线衍射（XRD）、红外光谱、X射线吸收光谱（XAS：扩展X射线吸收精细结构/ X射线吸收近边结构）和pH测量研究含Ce-Lu的市售(NO)·HO盐的稀水溶液的结果。作为参考点，对已表征的(NO)·HO微晶粉末样品进行了XRD和XAS测量。在全外反射条件下研究了20 mM (NO)·HO水溶液中-硝酸盐配合物的局部结构，并应用扩展X射线吸收精细结构几何条件来获取低浓度离子溶液的高质量扩展X射线吸收精细结构数据。扩展X射线吸收精细结构光谱获得的结果表明，镧系元素系列中间位置的金属离子在溶解过程中第一配位层显著收缩。已确定在含 = Ce、Sm、Gd、Yb（c = 134、100、50和20 mM）的(NO)·HO溶液中，存在与离子形成双齿且主要为单齿键的配位硝酸盐基团以及更多的未配位硝酸盐基团，其数量从铈到镱逐渐增加。首次展示了不同浓度和pH的(NO)·HO = Ce、Sm、Gd、Tb、Yb溶液的抗菌和抗真菌活性。建立了溶液浓度与抗菌活性之间的交叉关系以及与 = Ce、Sm、Gd、Tb、Yb类型的关系，还确定了除 = Yb外浓度为20 mM的溶液没有杀菌性能。指出了实验条件在获取和解释结果中的重要作用。
