Influences and the Mechanism of Additives on Intensifying Nucleation and Growth of <i>p</i>-Methylacetanilide

Wu, Hao; Wang, Jingkang; Liu, Qi; Zong, Shuyi; Tian, Beiqian; Huang, Xin; Wang, Ting; Yin, Qiuxiang; Hao, Hongxun

doi:10.1021/acs.cgd.9b01325

Cited by 22 publications

(28 citation statements)

References 40 publications

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“…181,182,189−191 (2) Polymers affect the nucleation by changing the solubility, 15 the interfacial energy, 192,193 and the pre-exponential factor 72,152,194 from the perspective of CNT, like 4-bromoacetanilide and 4-chloroacetanilide promoted nucleation by decreasing the solubility and interfacial energy of p-methylacetanilide in ethanol. 111 Similar studies 12,195 support this view. (3) They may act as heterogeneous surfaces (nucleation templates).…”

Section: Effect Of Different Types Of Additives Onsupporting

confidence: 54%

Role of Additives in Crystal Nucleation from Solutions: A Review

Cao

Liu

et al. 2021

Crystal Growth & Design

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Nucleation is a key step in the crystallization of solution. For regulating and controlling this process, it is thus critical to understand the nucleation mechanism under different circumstances. Note that how additives affect nucleation has not been essentially summarized. This contribution aims to explore the role of additives in theoretical models and practical applications. First, we review the development of nucleation theory: classical nucleation theory (CNT) and nonclassical nucleation theory (non-CNT). Under the framework of CNT, how additives influence the nucleation is expounded through the interactions between species involved in nucleation, along with solid–liquid interfacial energy and pre-exponential factors based on the metastable zone width (MSZW) and nucleation induction time (NIT). In non-CNT, we then discuss the effects of additives on the structural evolution of prenucleated species and competitive properties such as the Gibbs free energy change. Then, we summarize the role of multifarious additives in nucleation. Finally, how additives are adapted to treat some diseases in pathological biomineralization such as lithiasis is summarized. This review has a positive significance for comprehending the roles of additives on the nucleation in a solution milieu.

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Section: Effect Of Different Types Of Additives Onsupporting

confidence: 54%

Role of Additives in Crystal Nucleation from Solutions: A Review

Cao

Liu

et al. 2021

Crystal Growth & Design

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“…However, polar crystals (such as α-resorcinol, ( R , S )-alanine, and γ-glycine) grown in solution often yield unusual habits that are difficult to predict . Solvent is known to strongly impact the crystal habit − causing asymmetric growth at the opposite faces along the polar axis of the polar crystal, ,, while the underlying mechanism of solvent on the growth of anisotropic organic crystals is still ill-understood.…”

Section: Introductionmentioning

confidence: 99%

Solvent-Induced, Highly Unusual, Triangular-Shaped Organic Polar Crystal

Huang

Cai

2020

Crystal Growth & Design

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Crystal habit is a key physical attribute that impacts the processing and performance of organic crystalline materials, especially pharmaceuticals and organic electronics. Here, we report that the presence of a solvent creates the highly unusual triangular habit of an organic crystal, biochanin A (BCA), a natural product with multiple pharmacological activities. From the vapor phase, BCA grows as needles with equal rates along the opposite directions of the polar c axis. In contrast, crystal growth from a toluene solution is observed only along the –c direction, leading to a triangular plate. This rare growth morphology is attributed to the polar crystal structure of BCA and differences in solvent–surface interactions. Molecular dynamics simulations show that toluene molecules bind to the hydroxyl exposing face more strongly than the methoxy exposing face, leading to inhibition of growth along the +c axis. This study contributes in-depth understanding regarding the solvent effect on the habit modification of polar crystals.

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“…Computer simulation provides a powerful tool for understanding the changes of the crystal growth pattern and solvent adsorption behavior at the molecular level by structure visualization. 14,15 Yu et al 16 employed molecular dynamics simulation to investigate the interactions between the surface of a vinpocetine crystal and the solvent molecules, and found that the crystal growth kinetics induced the formation of depressions. Lynch et al 17 examined the surface chemistry of each face at the molecular level, to detect the possible growth attachment sites of salicylamide crystal faces.…”

Section: Introductionmentioning

confidence: 99%