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首页> 外文期刊>Acta Crystallographica, Section B. Structural science, crystal engineering and materials >Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis
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Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis

机译：单斜晶焦磷酸钙二水合物（m-CPPD）的晶体结构参与炎症反应和骨关节炎

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摘要

Pure monoclinic calcium pyrophosphate dihydrate (m-CPPD) has been synthesized and characterized by synchrotron powder X-ray diffraction and neutron diffraction. Rietveld refinement of complementary diffraction data has, for the first time, allowed the crystal structure of m-CPPD to be solved. The monoclinic system P2_1 was confirmed and unit-cell parameters determined: a = 12.60842 (4), b = 9.24278 (4), c = 6.74885 (2) ? and β = 104.9916 (3)°. Neutron diffraction data especially have allowed the precise determination of the position of H atoms in the structure. The relationship between the m-CPPD crystal structure and that of the triclinic calcium pyrophosphate dihydrate (t- CPPD) phase as well as other pyrophosphate phases involving other divalent cations are discussed by considering the inflammatory potential of these phases and/or their involvement in different diseases. These original structural data represent a key step in the understanding of the mechanisms of crystal formation involved in different types of arthritis and to improve early detection of calcium pyrophosphate (CPP) phases in vivo.
机译：合成了纯单斜焦磷酸钙二水合物（m-CPPD），并通过同步加速器粉末X射线衍射和中子衍射进行了表征。互补衍射数据的Rietveld改进首次使m-CPPD的晶体结构得以解析。确定单斜晶系P2_1 / n并确定晶胞参数：a = 12.60842（4），b = 9.24278（4），c = 6.74885（2）？ β= 104.9916（3）°。中子衍射数据尤其允许精确确定结构中H原子的位置。通过考虑这些相的发炎潜势和/或它们参与不同的过程，讨论了m-CPPD晶体结构与三斜晶焦磷酸钙二水合物（t-CPPD）相以及涉及其他二价阳离子的其他焦磷酸盐相之间的关系。疾病。这些原始的结构数据代表了了解参与不同类型关节炎的晶体形成机制并改善体内焦磷酸钙（CPP）相早期检测的关键步骤。

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