Discovery of Cilnidipine Cocrystals with Enhanced Dissolution by the Use of Computational Tools and Semiautomatic High-Throughput Screening [0.03%]
基于计算工具和半自动高通量筛选的硝苯地平共晶的发现及溶解度提升研究
Matteo Guidetti,Rolf Hilfiker,Susan M De Paul et al.
Matteo Guidetti et al.
Cocrystals are an attractive option for overcoming drug limitations, such as a low dissolution rate and absorption of poorly water-soluble compounds. Nevertheless, the discovery of new cocrystals remains a trial-and-error approach in which ...
Bhaskar Tiwari,Hanns-Peter Liermann,Simon Parsons et al.
Bhaskar Tiwari et al.
The effect of high pressure on ribavirin, a broad-spectrum antiviral consisting of ribofuranosyl triazole, and carboxamide moieties, has been studied up to ∼10 GPa. Three new high-pressure phases, designated V3, V4 and V5, have been obtain...
Crystallization of NaCl-NaNO3-H2O in Porous Media During Drying [0.03%]
多孔介质中NaCl-NaNO_3-H_2O体系干燥结盐规律研究
Leo Pel,Sebastiaan Godts,Amelie Stahlbuhk et al.
Leo Pel et al.
In this study, we investigated the crystallization of a salt mixture during drying in a porous medium. Specifically, we focused on the ternary system of NaCl-NaNO3-H2O, which is also encountered in situ. In order to study the crystallizatio...
A Novel Solid Form of Erlotinib: Synthesis by Heterogeneous Complexation and Characterization by NMR Crystallography [0.03%]
一种埃洛替尼新固体形式：通过固相复盐合成并利用核磁共振与单晶衍射联用表征
Sean T Holmes,Ren A Wiscons,Kerrigan Parks et al.
Sean T Holmes et al.
We describe the synthesis of a novel complex of the anticancer "active pharmaceutical ingredient erlotinib (ERL) via heterogeneous nucleation on polished zinc tiles. The resulting product, ERL 2 ·ZnCl 2 , is characterized by single-crystal...
One Size Fits All? Development of the CPOSS209 Data Set of Experimental and Hypothetical Polymorphs for Testing Computational Modeling Methods [0.03%]
万能适用？关于实验和假设多晶型物的CPOSS209数据集的发展，用于测试计算建模方法
Louise S Price,Matteo Paloni,Matteo Salvalaglio et al.
Louise S Price et al.
Organic crystal structure prediction (CSP) studies have led to the rapid development of methods for predicting the relative energies of known and computer-generated crystal structures. There is a compromise between the level of theoretical ...
Nanoconfined Metal Halide Perovskite Crystallization within Removable Polymer Scaffolds [0.03%]
在可移除聚合物支架中纳米限制金属卤化物钙钛矿晶体生长
Mia Klopfenstein,Lance Emry,Pulkita Jain et al.
Mia Klopfenstein et al.
Nanoconfining crystallization to access metastable polymorphs and prescribe crystal orientations typically involves filling inert nanoporous scaffolds with target compounds, resulting in isolated nanocrystals. Such crystal-scaffold composit...
Impact of the Coformer Carbon-Chain Length on the Properties of Haloperidol Pharmaceutical Salts [0.03%]
共晶化合物碳链长度对氯丙嗪药盐性质的影响
Francisco J Acebedo-Martínez,Carolina Alarcón-Payer,Alicia Domínguez-Martín et al.
Francisco J Acebedo-Martínez et al.
Haloperidol (HAL) is a conventional antipsychotic drug with poor aqueous solubility, which is associated with a major risk of side effects. In this context, crystal engineering has provided an efficient approach for tuning the physicochemic...
Crystal Engineering in Oligorylenes: The Quest for Optimized Crystal Packing and Enhanced Charge Transport [0.03%]
寡聚芳烃晶体工程：优化晶格排列和增强电荷传输的探索
Rahul Meena,Priya Pandey,Caterina Zuffa et al.
Rahul Meena et al.
The crystal structures of organic semiconductors are critical when they are integrated into optoelectronic devices, such as organic field-effect transistors (OFETs). In this study, we introduce a crystal engineering approach that leverages ...
Mayank Vashishtha,Juntao Li,Mahmoud Ranjbar et al.
Mayank Vashishtha et al.
In this work, we report the new protocols that are developed to determine the shape factors of Form I paracetamol crystals using a combination of techniques that rely on the state-of-the-art X-ray computed tomography and Morphologi G3. The ...
25+ Years of Research on Nonphotochemical Laser-Induced Nucleation (NPLIN) [0.03%]
关于非光化学激光诱导成核(NPLIN)研究的25年进展
Bruce A Garetz,Ryan L Hartman
Bruce A Garetz
This Perspective looks back on 25+ years of research on nonphotochemical laser-induced nucleation (NPLIN), focusing in particular on the accidental discovery of the phenomenon, a discussion of the three proposed mechanisms for NPLIN, the ap...