A solid-state dehydration process associated with a significant change in the topology of dihydrogen phosphate chains, established from powder X-ray diffraction

Albesa-Jove D; Pan Z; Harris KDM; Uekusa H

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A solid-state dehydration process associated with a significant change in the topology of dihydrogen phosphate chains, established from powder X-ray diffraction

机译：固态脱水过程与粉末X射线衍射确定的磷酸二氢链拓扑结构的重大变化有关

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The anhydrous crystalline phase of chloroquine bis-(dihydrogen phosphate) is obtained by dehydration of the corresponding hydrate phase, but in common with many solid-state dehydration processes, the product is obtained as a polycrystalline powder, thus limiting the opportunity to carry out structural characterization using single crystal X-ray diffraction techniques. Instead, structure determination of the anhydrous phase has exploited the capabilities of modem powder X-ray diffraction techniques, employing the direct-space Genetic Algorithm technique for structure solution followed by Rietveld refinement. The results reveal that the dehydration process is associated with a significant change in the topology of hydrogen bonded chains of dihydrogen phosphate anions, arising from a change in the hydrogen bonding arrangement within the chains, together with a significant change in the conformation of the chloroquine cation.

机译：氯喹双-（磷酸二氢盐）的无水结晶相是通过相应水合物相的脱水获得的，但与许多固态脱水方法一样，该产品以多晶粉末形式获得，因此限制了进行结构化的机会使用单晶X射线衍射技术进行表征。取而代之的是，无水相的结构确定利用了现代粉末X射线衍射技术的能力，采用直接空间遗传算法技术进行结构求解，然后进行Rietveld精炼。结果表明，脱水过程与磷酸二氢根阴离子氢键链的拓扑结构的显着变化有关，这是由于链内氢键排列的变化以及氯喹阳离子构象的显着变化引起的。。

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来源
《Crystal growth & design》 |2008年第10期|共5页
作者
Albesa-Jove D; Pan Z; Harris KDM; Uekusa H;
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正文语种 eng
中图分类晶体学;
关键词
CRYSTAL-STRUCTURE SOLUTION; GENETIC ALGORITHM; CHLOROQUINE DIPHOSPHATE; DEOXYRIBONUCLEIC ACID;

机译：晶体结构溶液;遗传算法;氯膦二磷酸盐;脱氧核糖核酸;

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1. A solid-state dehydration process associated with a significant change in the topology of dihydrogen phosphate chains, established from powder X-ray diffraction [J] . Albesa-Jove D, Pan Z, Harris KDM, Crystal growth & design . 2008,第10期

机译：固态脱水过程与粉末X射线衍射确定的磷酸二氢链拓扑结构的重大变化有关
2. A Solid-State Dehydration Process in an Organic Material Associated with Substantial Hydrogen-Bond Reorganization, Investigated by Powder X-ray Diffraction [J] . Marti?-Rujas Javier, Morte-Ro?denas Anabel, Guo Fang, Crystal growth & design . 2010,第7期

机译：粉末X射线衍射研究了与大量氢键重组相关的有机材料的固态脱水过程
3. Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques [J] . Kotaro Fujii, Hidehiro Uekusa, Naoko Itoda The journal of physical chemistry, C. Nanomaterials and interfaces . 2010,第1期

机译：用AB初始粉末X射线衍射分析和其他技术对药物材料丙烯醇多态性和固态脱水/再水合过程的物理化学理解
4. A new process chain for ultra-precision machining potassium dihydrogen phosphate (KDP) crystal parts [C] . Chaoliang Guan, Hao Hu, Guipeng Tie, International Conference of the European Society for Precision Engineering and Nanotechnology . 2016

机译：用于超精密加工钾二氢磷酸钾（KDP）水晶部件的新工艺链
5. High-temperature phase transitions in cesium dihydrogen phosphate under ambient and high-pressure conditions: A synchrotron x-ray diffraction study [D] . Hermosillo, Juan Daniel 2006

机译：环境和高压条件下磷酸铯磷酸铯的高温相转变：同步X射线衍射研究
6. Carvedilol dihydrogen phosphate propan-2-ol solvate from powder diffraction data [O] . Vladimir V. Chernyshev, Sergei Yu. Kukushkin, Yurii A. Velikodny 2010

机译：卡维地洛磷酸二氢丙-2-醇溶剂化物的粉末衍射数据
7. Small-Angle X-Ray Scattering (SAXS), Ultra-Small Angle X-Ray Scattering (USAXS), Fluctuation X-Ray Scattering (FXS), Wide-Angle X-Ray Scattering (WAXS), Grazing-Incidence Small-Angle X-Ray Scattering (GISAXS), Grazing-Incidence Wide-Angle X-Ray Scattering (GIWAXS), Small-Angle Neutron Scattering (SANS), Grazing-Incidence Small-Angle Neutron Scattering (GISANS), X-Ray Diffraction (XRD), Powder X-Ray Diffraction (PXRD), Wide-Angle X-Ray Diffraction (WAXD), Grazing- Incidence X-Ray Diffraction (GIXD) and Energy-Dispersive X-Ray Diffraction (EDXRD) Comparative Study on Malignant and Benign Human Cancer Cells and Tissues under Synchrotron Radiation [O] . Alireza Heidari 2017

机译：小角X射线散射（萨克斯），超小角X射线散射（USAX），波动X射线散射（FXS），广角X射线散射（蜡），放牧发生小角度x - 射线散射（吉即），放牧入射广角X射线散射（Giwaxs），小角度中子散射（SAN），放牧发生小角度中子散射（Gisans），X射线衍射（XRD），粉末X射线衍射（PXRD），广角X射线衍射（WAXD），放牧发病X射线衍射（GIXD）和能量分散X射线衍射（EDXRD）对恶性和良性人体癌细胞的比较研究和同步辐射下的组织
8. Characterization by X-Ray Topography of Laser-Induced Damage in Potassium Dihydrogen Phosphate Crystals [R] . Newkirk, H., Swain, J., Stokowski, S., 1983

机译：激光诱导磷酸二氢钾晶体损伤的X射线形貌表征

A solid-state dehydration process associated with a significant change in the topology of dihydrogen phosphate chains, established from powder X-ray diffraction

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