Synthon Substitution via C-I···π and C-I···N Halogen Bonds in Cocrystals of Anthracene-Based Organic Semiconductor Isosteres [0.03%]
茋和并四苯类似物共晶中通过C-I⋅⋅⋅π和C-I⋅⋅⋅N卤素键的Synthon取代反应
Ivan Bondarenko,Shivani Ahuja,Brian O Patrick et al.
Ivan Bondarenko et al.
Cocrystallization is a versatile supramolecular synthetic strategy for tuning the properties of organic semiconductors (OSCs) and related polycyclic aromatic hydrocarbons (PAHs) by controlling their packing and architectures with suitable c...
Crystal Structure Prediction for Aprotic Ionic Liquids - Searching for the Unknown [0.03%]
单价离子液体的晶体结构预测——寻找未知的世界
Petr Touš,Graeme M Day,Ctirad Červinka
Petr Touš
Ionic liquids (ILs) represent an extensively studied class of materials. Nevertheless, their solid state has often been overlooked, leading to frequent knowledge gaps about their phase behavior or crystal structures that such materials may ...
Absorption Correction for Reliable Pair Distribution Functions from Low Energy X‑ray Sources [0.03%]
基于低能X射线源的可靠对分布函数的吸收校正
Yucong Chen,Till Schertenleib,Andrew Yang et al.
Yucong Chen et al.
This paper explores the development and testing of a simple absorption correction model for processing powder X-ray diffraction data from Debye-Scherrer geometry laboratory X-ray experiments. This may be used as a preprocessing step before ...
Calcite Tailoring by Limpets: The Prismatic and Acicular-Foliated Microstructures of Members of The Nacellidae [0.03%]
石蜐的角质颚对云母的精细加工：石蜐科动物角质颚的微结构及作用机制
Katarzyna Berent,Marta Gajewska,Antonio G Checa
Katarzyna Berent
Limpets of the family Nacellidae construct their shells with an outer prismatic layer, underlain by an acicular-foliated layer, and occasionally an internal crossed-lamellar layer. The outer layer consists of prisms oriented approximately p...
Christopher J Ridley,Jasmine K Hinton,Jamie J Molaison
Christopher J Ridley
Pyrazine (1,4-diazine) is a widely used linker in coordination polymers, molecular magnets, and metal-organic frameworks, yet its solid-state polymorphism is controlled by weak C-H···N interactions. Using variable-temperature and high-pr...
Modeling Pharmaceutical Batch Cooling Crystallization Processes Using Computational Fluid Dynamics Coupled with a One-Dimensional Population Balance Model [0.03%]
基于计算流体动力学和一维群体平衡模型的药物批次冷却结晶过程的建模方法研究
Diana M Camacho Corzo,Juliet A Figueroa Rosette,Abdul Samad Rana et al.
Diana M Camacho Corzo et al.
The batch cooling crystallization of the α polymorphic form of l-glutamic acid from aqueous solution in a kilo-scale 20 L pharmaceutical batch crystallizer is simulated using a multiphase computational fluid dynamics (CFD) model coupled wi...
Polymorphism of BaTeO3 under High Pressure: Single-Crystal Structure Analysis and Characterization of HP-BaTeO3 [0.03%]
高压下BaTeO3的多晶型体结构分析及HP-BaTeO3的表征
Benjamin J Pullicino,Stefan Schwarzmüller,Gunter Heymann
Benjamin J Pullicino
A new high-pressure polymorph of barium tellurate, HP-BaTeO3, was synthesized using multianvil high-pressure/high-temperature techniques (4 GPa, 900 °C). The compound crystallizes in the monoclinic space group P21/c and consists of stacked...
Impact of Lactose Phosphate Impurities on Lactose Crystallization: Deionization as Effective Pretreatment [0.03%]
乳糖磷酸杂质对乳糖结晶的影响：脱离子作为有效的预处理方法
Silvio Trespi,Marco Mazzotti
Silvio Trespi
Commercial α-lactose monohydrate powders contain trace amounts of lactose phosphate impurities. In this work, the influence of lactose phosphate on the crystallization of α-lactose monohydrate from aqueous solutions is experimentally inve...
High-Pressure Structural and Electronic Properties of Bibenzyl (1,2-Diphenylethane) from Synchrotron SC-XRD and Two-Photon-Induced Fluorescence [0.03%]
同步辐射SC-XRD和双光子诱导荧光法测定茋（1,2-二苯基乙烷）在高压下的结构和电性性质
Milo Agati,Sebastiano Romi,Samuele Fanetti et al.
Milo Agati et al.
The structural and electronic properties of bibenzyl (1,2-diphenylethane) are investigated as a function of pressure using single-crystal X-ray diffraction (SC-XRD) and two-photon-induced fluorescence. Bibenzyl is an appealing pseudostilben...
Probing Macromolecular Interactions by Loss of Solvent Content in Protein Crystals: Application to the Amyloid‑β Peptide Binding to Transthyretin [0.03%]
利用蛋白质晶体溶剂含量降低探测大分子相互作用：淀粉样蛋白-β肽与转运蛋白结合的实例研究
Diogo Costa-Rodrigues,José P Leite,Luís Gales
Diogo Costa-Rodrigues
X-ray crystallography is commonly used to determine the structure of protein-protein complexes, revealing the atomic details of the interactions between macromolecules in the crystal. However, this technique has limited application in binar...