Review of melt crystallization in the pharmaceutical field, towards crystal engineering and continuous process development

Jia, Shengzhe; Gao, Zhenguo; Tian, Ningning; Li, Zongqiu; Gong, Junbo; Wang, Jingkang; Rohani, Sohrab

doi:10.1016/j.cherd.2020.12.012

Cited by 34 publications

(19 citation statements)

References 100 publications

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“…Thus, developing more continuous melt crystallizers is beneficial for mass transfer intensification. Gao et al 144 have discussed and proposed six steps to design melt continuous crystallizers. Steps 1 and 2 are the determination of the raw materials, including the composition, phase diagram, etc.…”

Section: Process Intensification Approachesmentioning

confidence: 99%

“…156,157 Melt crystallization can achieve a high driving force while maintaining low nucleation and growth rates to access regions of the potential energy landscape where solution crystallization is unable to operate. 144 It has been proved as an efficient pathway to achieve product property modification. Several novel drug polymorphs are obtained by melt crystallization, for example, III-form itraconazole, 158 VII, VIII, IX-form paracetamol, 157 I-form paracetamol, 159 IV-form aspirin, 160 II-form metoprolol, 161 II-form griseofulvin, 162 etc.…”

Section: Applications In Melt Crystallizationmentioning

confidence: 99%

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Recent advances in melt crystallization, towards process intensification and technique development

Li-xia

Dang

2022

CrystEngComm

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Section: Process Intensification Approachesmentioning

confidence: 99%

Section: Applications In Melt Crystallizationmentioning

confidence: 99%

Recent advances in melt crystallization, towards process intensification and technique development

Li-xia

Dang

2022

CrystEngComm

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“…Furthermore, Hickey et al showed that cocrystallization of carbamazepine and saccharin led to its improved stability [ 14 ]. The recent advances in crystal engineering field, regulatory acceptance, and ease of access to a wide range of coformers have paved the way for adaptation of cocrystallization within the pharmaceutical industry [ 15 ].…”

Section: Introductionmentioning

confidence: 99%

Formation of Ciprofloxacin–Isonicotinic Acid Cocrystal Using Mechanochemical Synthesis Routes—An Investigation into Critical Process Parameters

et al. 2022

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The mechanochemical synthesis of cocrystals has been introduced as a promising approach of formulating poorly water-soluble active pharmaceutical ingredients (APIs). In this study, hot-melt extrusion (HME) as a continuous process and grinding and ball milling as batch processes were employed to explore the feasibility of cocrystallization. Ciprofloxacin (CIP) and isonicotinic acid (INCA) were selected as the model API and coformer. CIP–INCA cocrystal was produced in all techniques. It was revealed that higher cocrystal content could be achieved at longer durations of grinding and ball milling. However, milling for more than 10 min led to increased co-amorphous content instead of cocrystal. A design of experiment (DoE) approach was used for deciphering the complex correlation of screw configuration, screw speed, and temperature as HME process parameters and their respective effect on final relative cocrystal yield. Statistical analysis showed that screw configuration, temperature, and their interaction were the most critical factors affecting cocrystallization. Interestingly, screw speed had minimal impact on the relative cocrystallization yield. Cocrystallization led to increased dissolution rate of CIP in phosphate buffer up to 2.5-fold. Overall, this study shed a light on the potential of mechanochemical synthesis techniques with special focus on HME as a continuous process for producing cocrystals.

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“…5 Michael et al also separated 95% 4,4′-MDI from the mixture of 4,4′-MDI, 2,2′-MDI, and 2,4′-MDI using the distillation separation technology under the conditions of 0.1–50 Mbar and 210–225 °C, and results showed that the impurity content in 4,4′-MDI was below 50 ppm. 6 Although rectification separation had achieved industrialization, it has the disadvantages of high energy consumption, 7 high cost, and high requirements in equipment. What is more, 4,4′-MDI and 2,4′-MDI are heat-sensitive materials that self-polymerization occurs easily at high temperature, causing isocyanate loss.…”

Section: Introductionmentioning

confidence: 99%

Purification of MDI Isomers Using Dynamic Falling Film Melt Crystallization: Experiment and Molecular Simulation

Lian

Wang

et al. 2022

ACS Omega

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In this work, the isomer mixture of 4,4′-diphenylmethane diisocyanate (MDI) and 2,4′-MDI was separated and purified by dynamic falling film melt crystallization, and 99.3% purity and 50.8% yield of 4,4′-MDI could be obtained under optimized conditions. The separation mechanism was simulated by density functional theory (DFT) and molecular dynamics (MD) simulation. Results showed that compared with 2,4′-MDI, 4,4′-MDI molecules could form a more stable and symmetrical crystal structure due to their stronger charge density symmetry and electrostatic potential energy. Furthermore, the separation phenomenon and the formation of the crystal structure were observed according to the radial distribution function (RDF) and orientation correlation function obtained from MD simulation. Finally, the attachment energy (AE) model was used to observe and compare different crystal surfaces; it was proposed that the aggregation of 4,4′-MDI was attributed to the polar attraction between isocyanate groups according to the results of the orientation correlation function. It was also observed that compared with 2,4′-MDI, 4,4′-MDI molecules on the (110) crystal surface were easier to form crystal structures.

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Review of melt crystallization in the pharmaceutical field, towards crystal engineering and continuous process development

Cited by 34 publications

References 100 publications

Recent advances in melt crystallization, towards process intensification and technique development

Recent advances in melt crystallization, towards process intensification and technique development

Formation of Ciprofloxacin–Isonicotinic Acid Cocrystal Using Mechanochemical Synthesis Routes—An Investigation into Critical Process Parameters

Purification of MDI Isomers Using Dynamic Falling Film Melt Crystallization: Experiment and Molecular Simulation

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