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...
BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs [0.03%]
磺胺吡唑多晶型I和II的BEST-CSP基准研究以及复合多型多晶型的隐患
William P Wood,Mihails Arhangelskis,Erika Bartůňková et al.
William P Wood et al.
We report the outcome of an interdisciplinary investigation, by the BEST-CSP network, of the kinetically favored form I and the low-temperature stable form II polymorphs of the drug sulfamerazine (SMZ). Form II can be reproducibly obtained ...
Cocrystals of 1,2-Diiodotetrafluorobenzene with Pyridine Derivatives: Pyridine Nitrogen as a Bifurcated Acceptor with Ortho-Diiodo Halogen Bond Donors [0.03%]
1,2-二碘四氟苯与吡啶衍生物的共晶：吡啶氮作为双受体与邻二碘卤素供体
Nikola Bedeković,Antonio Magnabosco,Vladimir Stilinović et al.
Nikola Bedeković et al.
The behavior of 1,2-diiodotetrafluorobenzene (12tfib) as a halogen bond donor was studied by cocrystallizing it with a series of aromatic nitrogen bases covering a wide range of pK a values (2.10 ≤ pK a ≤ 9.60) and comparing the results w...
Eyring-Polanyi Rate Theory for the Homogeneous Nucleation of Organic Crystals from Solution [0.03%]
溶液中有机晶体均相成核的Eyring-Polanyi率理论研究
Sven L M Schroeder
Sven L M Schroeder
Using elementary concepts of chemical reaction kinetics, the rates of primary homogeneous organic crystal nucleation from supersaturated solutions are modeled as nucleation with first order kinetics from large solute density fluctuations (L...
Phase Behavior and Proton Conductivity in Crown Ether-Based Supramolecular Sodium Hydrogen Sulfate Complexes [0.03%]
冠醚基超分子硫酸氢钠复合物的相行为及质子电导率
Andrea Vitale,Samet Ocak,Antunes Staffolani et al.
Andrea Vitale et al.
This study deals with the preparation and solid-state characterization, as well as structural and phase transition features of supramolecular complexes composed of sodium hydrogen sulfate (NaHSO4) and two crown ether ligands, namely, 15-cro...
Supramolecular Diversity in Bis(acylhydrazone) Crystals: Linker Effects, Polymorphism, and Gelator Assemblies [0.03%]
二酰基二肼晶体的超分子多样性：连接物效应、多晶型和凝胶组装体
Justin J Zhao,Natalie E Pridmore,Toby J Blundell et al.
Justin J Zhao et al.
A series of previously unknown bis-(acylhydrazone)-s with aliphatic (zero to four CH2 units) and aromatic (phenylene substituted) linkers was synthesized and structurally characterized. Aliphatic derivatives exhibited distinct conformationa...
Effect of Small Molecular Additives on Growth Rates of Molecular Crystals from the Melt near Glass-Transition Temperature [0.03%]
小分子添加剂对近玻璃化温度熔体生长分子晶体生长速率的影响研究
Alexander G Shtukenberg,Hengyu Zhou,Eli Finkelstein et al.
Alexander G Shtukenberg et al.
Frequently, small concentrations of additives can substantially modify crystal growth rates from solutions, while a substantial concentration of additives is required to likewise affect crystallization from the melt. Recently, it was discov...
Engineering Supramolecular Systems with a Bis(pyridyl)azine Derivative and Different Hydrogen and Halogen Donors [0.03%]
含不同氢键和卤素供体受体的双吡啶azines超分子系统的工程学研究
Mayra S Coutinho,Thomaz de A Costa,Alan Imperatori et al.
Mayra S Coutinho et al.
Cocrystal engineering has become an essential strategy in materials science, enabling the design of new solid-state systems through the rational combination of organic components guided by noncovalent interactions. In this study, the cocrys...
Comparative Assessment of Statistical and Thermodynamic Prediction Methods for Solvate Formation: A Case Study with Curcumin and Its Derivatives [0.03%]
统计和热力学预测方法用于姜黄素及其衍生物溶剂合物形成的比较评估：一例研究
Julian Ticona-Chambi,Duane Choquesillo-Lazarte,Silvia Lucia Cuffini et al.
Julian Ticona-Chambi et al.
This study compares statistical and thermodynamic methodologies for predicting solvate formation using curcumin (CUR) and its derivatives demethoxycurcumin (DMC) and bisdemethoxycurcumin (BDMC) as models. We evaluated the performance of Sta...