Theoretical and Experimental Investigations of Crystallization Mechanisms on Curved Surfaces

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".

Deadline for manuscript submissions: closed (11 January 2024) | Viewed by 3633

Special Issue Editor


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Guest Editor
School of Pharmaceutical Sciences, Shandong Analysis and Test Center, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250014, China
Interests: pharmaceutical crystallization; crystal shape engineering; additives; spherical crystallization; molecular simulation

Special Issue Information

Dear Colleagues,

The rational design of molecular solids with desired properties is an active branch of crystal engineering. Both inorganic and organic molecular crystals exhibit mechanical motions such as bending, twisting, jumping, and self-healing under external stimuli. Mechanically deformable crystals are of core interest, showing a broad range of applications in optical devices, organic electronics, sensors, biomimetics, pharmaceuticals, etc. The molecular packing features play a crucial role in crystal deformability. Polymorphs, salts and cocrystals may have different plastic and elastic properties. Twisted crystals can also be found in spherulites, which are generally created from melt crystallization as well as solution crystallization at a high driving force and/or the presence of additives. Crystal deformation arises due to many factors, and the mechanism is not well understood.

This Special Issue, entitled “Theoretical and Experimental Investigations of Crystallization Mechanisms on Curved Surfaces,” welcomes relevant original papers and reviews focusing on curved crystals, mechanical properties, crystal engineering, spherulites, noncrystallographic branching, screw dislocation, twining, crystal growth affected by additives, etc.

Dr. Yan Wang
Guest Editor

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Keywords

  • crystal engineering
  • crystal morphology
  • curved surface
  • polymorph
  • cocrystal
  • spherulites
  • additives
  • crystal growth
  • mechanical properties
  • molecular interactions

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Published Papers (2 papers)

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Research

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14 pages, 4770 KiB  
Article
Hierarchical Structure of Glucosamine Hydrochloride Crystals in Antisolvent Crystallization
by Shichao Du, Chuanping Yu, Ping Zhang, Jianxing Lu, Junbo Gong, Fumin Xue and Yan Wang
Crystals 2023, 13(9), 1307; https://doi.org/10.3390/cryst13091307 - 27 Aug 2023
Cited by 2 | Viewed by 1196
Abstract
The crystal morphology of glucosamine hydrochloride (GAH) during antisolvent crystallization was investigated in this work. Particles of different shapes, such as plate-like crystals, leaflike clusters, fan-like dendrites, flower-like aggregates, and spherulites, were produced by tuning the type of antisolvents and crystallization operating conditions. [...] Read more.
The crystal morphology of glucosamine hydrochloride (GAH) during antisolvent crystallization was investigated in this work. Particles of different shapes, such as plate-like crystals, leaflike clusters, fan-like dendrites, flower-like aggregates, and spherulites, were produced by tuning the type of antisolvents and crystallization operating conditions. The hierarchical structures of GAH crystals tended to be formed in a water + isopropanol mixture. The effects of operation parameters on the polycrystalline morphology were studied, including crystallization temperature, solute concentration, feeding rate of GAH aqueous solution, solvent-to-antisolvent mass ratio, and stirring rate. The evolution process of GAH spherulites was monitored using SEM, indicating a crystallographic branching mode. The crystal habit was predicted to identify the dominant faces. Molecular dynamics simulations were performed and the interaction energy of solute or solvent molecules on crystal surfaces was calculated. The experimental and simulation studies help to understand the branching mechanism and design a desired particle morphology. Full article
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Review

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14 pages, 2521 KiB  
Review
Research Progress on the Molecular Mechanism of Polymorph Nucleation in Solution: A Perspective from Research Mentality and Technique
by Peng Shi, Ying Han, Zhenxing Zhu and Junbo Gong
Crystals 2023, 13(8), 1206; https://doi.org/10.3390/cryst13081206 - 3 Aug 2023
Cited by 2 | Viewed by 2035
Abstract
Based on the importance of polymorphic regulation, the molecular mechanism of nucleation has been widely concerned. This review begins by introducing the development and limitations of nucleation theory for organic small molecule crystals, followed by a summary of the general research mentality adopted [...] Read more.
Based on the importance of polymorphic regulation, the molecular mechanism of nucleation has been widely concerned. This review begins by introducing the development and limitations of nucleation theory for organic small molecule crystals, followed by a summary of the general research mentality adopted by current researchers. Moreover, the progress of the molecular mechanism of polymorphic nucleation and its application to the regulation of crystal forms are discussed. In addition, the development of scientific tools for the study of the molecular mechanism of polymorphic nucleation is also summarized, including experimental characterization and computational simulation, providing reference for relevant researchers. Finally, according to the main defects of current research and research ideas, research models and development directions of prospects and recommendations are put forward. Full article
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