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Crystals
\"Gemstones and snowflakes represent some of our most memorable and alluring interactions with crystals, but crystals form many different materials, come in various shapes, sizes, and colors, and can grow in several different ways. This inviting volume examines the science behind crystal formation, clearly explaining to an elementary audience the difference between the types of bonds that hold crystals together and elucidating the melting, freezing, and dissolution processes that yield crystalline structures. Readers are also guided through the process of growing their own crystals at home. Vocabulary, Think About It, and Compare and Contrast boxes round out the engaging narrative.\"--Publisher's description.
Book
Correction: Structure of a Murine Norovirus NS6 Protease-Product Complex Revealed by Adventitious Crystallisation
The correct version of Figure 4 can be seen here: thumbnail Download: * PPT PowerPoint slide * PNG larger image * TIFF original image [^] Also, in reference to this correction, in the tenth paragraph of the Results and Discussion section, the sentence \"The absence of any interaction with the P3 side-chain explains the diversity of residues (Q|G|K|N|E) observed at this position in MNV cleavage junctions [14], a feature that is also shared by picornavirus 3Cpro cleavage junctions [29], [30]\" should correctly say \"The absence of any interaction with the P3 side-chain explains the diversity of residues (Q|G|H|N|E) observed at this position in MNV cleavage junctions [14], a feature that is also shared by picornavirus 3Cpro cleavage junctions [29], [30].\" Figures Citation: Leen EN, Baeza G, Curry S (2012) Correction: Structure of a Murine Norovirus NS6 Protease-Product Complex Revealed by Adventitious Crystallisation.
Journal Article
Entropic colloidal crystallization pathways via fluid–fluid transitions and multidimensional prenucleation motifs
Complex crystallization pathways are common in protein crystallization, tetrahedrally coordinated systems, and biomineralization, where single or multiple precursors temporarily appear before the formation of the crystal. The emergence of precursors is often explained by a unique property of the system, such as short-range attraction, directional bonding, or ion association. But, structural characteristics of the prenucleation phases found in multistep crystallization remain unclear, and models are needed for testing and expanding the understanding of fluid-to-solid ordering pathways. Here, we report 3 instances of 2-step crystallization of hardparticle fluids. Crystallization in these systems proceeds via a highdensity precursor fluid phase with prenucleation motifs in the form of clusters, fibers and layers, and networks, respectively. The density and diffusivity change across the fluid–fluid phase transition increases with motif dimension. We observe crystal nucleation to be catalyzed by the interface between the 2 fluid phases. The crystals that formare complex, including, notably, a crystalwith 432 particles in the cubic unit cell. Our results establish the existence of complex crystallization pathways in entropic systems and reveal prenucleation motifs of various dimensions.
Journal Article
Revealing protein structures: crystallization of protein‐ligand complexes – co‐crystallization and crystal soaking
Protein crystallogenesis represents a key step in X‐ray crystallography studies that employ co‐crystallization and ligand soaking for investigating ligand binding to proteins. Co‐crystallization is a method that enables the precise determination of binding positions, although it necessitates a significant degree of optimization. The utilization of microseeding can facilitate a reduction in sample requirements and accelerate the co‐crystallization process. Ligand soaking is the preferred method due to its simplicity; however, it requires careful control of soaking conditions to ensure the successful integration of the ligands. This research protocol details the procedures for co‐crystallization and soaking to achieve protein–ligand complex formation, which is essential for advancing drug discovery. Additionally, a simple protocol for demonstrating soaking for educational purposes is described. Co‐crystallization crystallizes a protein with its ligand, resulting in protein–ligand complex crystals. In contrast, soaking introduces a ligand into preformed protein crystals, allowing it to bind. Both methods produce crystals for X‐ray diffraction, which generates diffraction patterns that are analyzed to determine the three‐dimensional structure of the complex. This process uncovers key interactions critical to understanding the protein's biological functions.
Journal Article
New understanding of hardening mechanism of TiN/SiN^sub x^-based nanocomposite films
In order to clarify the controversies of hardening mechanism for TiN/SiN^sub x^-based nanocomposite films, the microstructure and hardness for TiN/SiN^sub x^and TiAlN/SiN^sub x^nanocomposite films with different Si content were studied. With the increase of Si content, the crystallization degree for two series of films firstly increases and then decreases. The microstructural observations suggest that when SiN^sub x^interfacial phase reaches to a proper thickness, it can be crystallized between adjacent TiN or TiAlN nanocrystallites, which can coordinate misorientations between nanocrystallites and grow coherently with them, resulting in blocking of the dislocation motions and hardening of the film. The microstructure of TiN/SiN^sub x^-based nanocomposite film can be characterized as the nanocomposite structure with TiN-based nanocrystallites surrounded by crystallized SiN^sub x^interfacial phase, which can be denoted by nc-TiN/c-SiN^sub x^model ('c' before SiN^sub x^means crystallized) and well explain the coexistence between nanocomposite structure and columnar growth structure within the TiN/SiN^sub x^-based film.
Journal Article
Particle-based hematite crystallization is invariant to initial particle morphology
Understanding the mechanism of particle-based crystallization is a formidable problem due to the complexity of macroscopic and interfacial forces driving particle dynamics. The oriented attachment (OA) pathway presents a particularly challenging phenomenon because it occurs only under select conditions and involves a precise crystallographic alignment of particle faces often from distances of several nanometers. Despite the progress made in recent years in understanding the driving forces for particle face selectivity and alignment, questions about the competition between ion-by-ion crystallization, near-surface nucleation, and OA remain. This study examines hydrothermal conditions leading to apparent OA for hematite using three initial particle morphologies with various exposed faces. All three particle types formed single-crystal or twinned one-dimensional (1D) chain-like structures along the [001] direction driven by the attractive interactions between (001) faces and repulsive interactions between other pairs of hematite faces. Moreover, simulations of the potential of mean force for iron species and scanning transmission electron microscopy (S/TEM) imaging confirm that the formation of 1D chains is a result of the attachment of independently nucleated particles and does not follow the near-surface nucleation or ion-by-ion crystallization pathways. These results highlight that strong face specificity along one crystallographic direction can render OA to be independent of initial particle morphology.
Journal Article
Integrating Experimental Crystallization Kinetics into Autodesk Moldflow: Validation and Crystallinity Prediction for iPP and POM
An accurate prediction of the final properties of injection-molded semi-crystalline parts requires models that capture crystallization kinetics during processing. This work presents two practical strategies to incorporate experimentally derived crystallization behaviors into Autodesk Moldflow, addressing cases where kinetics differ from the software’s native Avrami–Hoffman–Lauritzen formulation. We apply these methods to isotactic polypropylene (iPP T30G) displaying heterogeneous nucleation with a low-temperature plateau, and to polyoxymethylene (POM) exhibiting combined heterogeneous and homogeneous nucleation. The parameters for Moldflow were obtained by matching isothermal half-crystallization times (t0.5) and by tuning flow-induced nucleation terms. Validation against isothermal and non-isothermal injection tests shows agreement between calculated and expected crystallinity evolution and reproduces measured spherulite diameters.
Journal Article