Crystal Morphology and Associated Face-Specific Growth Kinetics of Tolfenamic Acid as a Function of Its Solution Crystallization Environment [0.03%]
托芬那酸在溶液 crystallization 环境下的晶体形态及其面特异生长动力学变化规律研究
Yu Liu,Cai Y Ma,Junbo Gong et al.
Yu Liu et al.
The crystal morphology and face-specific growth kinetics of tolfenamic acid (TFA) forms I and II are investigated through an integrated molecular modeling and experimental approach. Morphology predictions based on attachment energy calculat...
Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials [0.03%]
基于AIMNet2神经网络势的高效分子晶体结构预测与稳定性评估
Kamal Singh Nayal,Dana O&#x;Connor,Roman Zubatyuk et al.
Kamal Singh Nayal et al.
Identifying thermodynamically stable crystal structures remains a key challenge in materials chemistry. Computational crystal structure prediction (CSP) workflows typically rank candidate structures by lattice energy to assess relative stab...
Influence of Strongly and Weakly Interfacially Active Asphaltene Particles on Solubility and Crystallizability of Octacosane (C28) Model Oils [0.03%]
强弱界面活性沥青颗粒对二十-eight烷模型油溶解度和结晶度的影响
Abdulraouf Ali,Ghinwa Yaghy,Alexander Jackson et al.
Abdulraouf Ali et al.
Asphaltenes and waxes are two components of crude oil that contribute to flow assurance challenges; however, the interaction between them is rarely studied. This study investigates how asphaltene particles with different physicochemical pro...
Nonmimetic Gels Direct Novel Crystallization Behavior of Lenalidomide [0.03%]
非模擬凝膠可直接新型免疫抑制劑來那利度amide結晶行為
Martin A Screen,Juan A Aguilar,Toby J Blundell et al.
Martin A Screen et al.
Crystallization within supramolecular gels can yield distinct solid-state outcomes compared with conventional solution-phase methods, including the formation of novel crystal forms or selectively crystallizing one crystal form from a concom...
Crystallographic and Computational Analysis of Oxyma B Cocrystals with Nitrogen-Containing Coformers: The Relevant Role of n → π* Interactions in Their Diverse Supramolecular Architectures [0.03%]
氧甲酸B与含氮共晶助剂的晶体学和计算分析：其多样的超分子结构中n → π*相互作用的相关作用
Mahdi Jemai,Rafael Barbas,Miquel Barceló-Oliver et al.
Mahdi Jemai et al.
Three new cocrystals of Oxyma-B, an important racemization suppressor for peptide synthesis, with 6-methylquinoline (I), 2,3,5,6-tetramethylpyrazine (II), and 1,10-phenanthroline (III) were synthesized and their single crystal structures an...
Effect of Surfactants on Posaconazole Crystallization and Polymorphism: Tween 80 vs Span 80 [0.03%]
吐温80和斯潘80对 posaconazole 结晶及多晶型的影响研究
Kennedy A Borchardt-Setter,Xin Yao,Rose K Cersonsky et al.
Kennedy A Borchardt-Setter et al.
A surfactant is often present in a pharmaceutical formulation and can accelerate the crystallization of the active component. We investigate the effects of two common surfactants with different hydrophilic-lipophilic balance, Span 80 and Tw...
Ladder-Type Cu(II) Coordination Polymer with π-π Stacking of Planar Blatter Radical Ligands: Structural and Magnetic Characterization [0.03%]
具有平面布勒特基合物的π-堆积的Cu(II)配位聚合物的结构与磁性研究
Hemant K Singh,Kayla M Smith,Jeremy M Rawson et al.
Hemant K Singh et al.
The synthesis of two C(2)-pyridyl derivatives of the planar Blatter radical was developed by using the tris-(trimethylsilyl)-silane (TTMSS)-assisted cyclization of appropriate iodoarenes. These monodentate paramagnetic ligands were characte...
Crystal Growth Kinetics of GeSe2 Polymorphs in Bulk Glasses and Thin Films: Role of Self-Diffusion and Viscosity [0.03%]
GeSe₂多晶型体在块状玻璃和薄膜中的晶体生长动力学：自扩散和粘度的作用
David Vaculík,Jaroslav Barták,Simona Martinková et al.
David Vaculík et al.
The knowledge of transport properties (viscosity and self-diffusion) and the knowledge of crystal growth of different polymorphs in amorphous materials prepared in different forms provide important information for the preparation, processin...
Modulator Driven Formation of a Very Complex Self-Catenated Zinc Metal-Organic Framework [0.03%]
一种新颖调控剂驱动构建的复杂索合锌金属有机骨架化合物
Alan Braschinsky,Davide M Proserpio,Toby J Blundell et al.
Alan Braschinsky et al.
Solvothermal reaction of N,N'-bis-(5-isophthalic acid)-naphthalenediimide (H4BINDI) with zinc-(II) nitrate hexahydrate in dimethylformamide (DMF) in the presence of trifluoroacetic acid as a modulator gives rise to a self-catenated Metal-or...
Hydrophobicity of Rare Earth Oxides: Contrasting Perspectives and Emerging Insights [0.03%]
稀土氧化物的疏水性：不同视角和最新见解
Jayna K Patel,Ivan P Parkin,Claire J Carmalt
Jayna K Patel
The wettability of rare earth oxides (REOs) including the lanthanide series, scandium, and yttrium has become a subject of increasing interest and debate. While many studies report hydrophobic behavior with high water contact angles, emergi...