Can vacuum morphologies predict solubility and intrinsic dissolution rate? A case study with felodipine polymorph form IV

Kumar, Dinesh; Thipparaboina, Rajesh; Shastri, Nalini R.

doi:10.1016/j.jocs.2015.03.009

Cited by 5 publications

(3 citation statements)

References 29 publications

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“…The most prominent facets of the crystal are those that are the slowest growing, while the smallest facets are the fastest growing and may absent in the nal product. 52,53 The BFDH calculations for a single crystal of LiNbO 3 indicated the presence of {012} and {104} as major facets, which agreed with the FFT analyses of the HRTEM results. The HRTEM results and the BFDH calculations suggested the formation of single-crystalline nanoparticles of LiNbO 3 .…”

Section: Morphology and Structural Characterization Of The Linbo 3 Nasupporting

confidence: 76%

One-pot synthesis of sub-10 nm LiNbO₃nanocrystals exhibiting a tunable optical second harmonic response

2019

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Section: Morphology and Structural Characterization Of The Linbo 3 Nasupporting

confidence: 76%

One-pot synthesis of sub-10 nm LiNbO₃nanocrystals exhibiting a tunable optical second harmonic response

2019

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“…Vacuum morphology of Form I and II was generated by the BFDH model. The benefit of this method was to identify important faces in the growth process [44]. Results show that (0-20), (001), (0-11), and (100) are among the major surfaces, with (0-20) being the most dominant face.…”

Section: Discussionmentioning

confidence: 99%

Baloxavir Marboxil Polymorphs: Investigating the Influence of Molecule Packing on the Dissolution Behavior

Zhou¹,

Liu

et al. 2022

Crystals

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Baloxavir marboxil (BXM) is a new blockbuster FDA-approved anti-influenza virus agent. However, its poor solubility has limited its oral bioavailability. In this study, BXM was crystallized from several organic solvents, obtaining three polymorphs, and their dissolution behaviors were studied. Detailed crystallographic examination revealed that Form I is monoclinic, space group P21, with unit cell parameters a = 7.1159 (3) Å, b = 20.1967 (8) Å, c = 9.4878 (4) Å, β = 109.033 (1)°, V = 1289.02 (9) Å3, and Z = 2, and Form II is monoclinic, space group P21, with unit cell parameters a = 7.1002 (14) Å, b = 39.310 (7) Å, c = 9.7808 (18) Å, β = 110.966 (5)°, V = 2549.2 (8) Å3, and Z = 4. Form I has a rectangular three-dimensional energy frameworks net, while Form II has a two-dimensional net. On the other hand, Form II has a much larger percentage of its surface area of exposed hydrogen bond acceptors than Form I. These crystallographic features offered increased solubility and dissolution rate to Form II. The results of stability and solubility experiments suggest that Form II may be preferred in the solid form used for the industrial preparation of BXM medicinal products.

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“…Crystal surface differences would cause diverse dissolution behavior. , By comparing the chemical groups on the surfaces of different crystal faces, it was not difficult to find out that S1 (0 1 0), S1 (0 1 −1), S3 (0 1 1), and S3 (0 1 −1), all of which were surfaces with exposed oxalic acid chains, had bigger interaction energy with water when compared with the other surfaces (Figures S15–S19). In fact, the oxalic acid chains were the support for the crystal structure of all NIC crystals.…”

Section: Resultsmentioning

confidence: 99%

Insight into the Structure and Property Diversity of Four Nicorandil Oxalate Salt Polymorphs Based on Experiments and Quantum Chemistry Study

Wang,

Guo,

et al. 2024

Crystal Growth & Design

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This contribution presents a novel and comparative study on the relationship between the crystal structure and the property diversity of a complex polymorph system of nicorandil oxalate (NIC-OA) salts. Single-crystal structures of four salt polymorphs with 1:1 stoichiometry were prepared, and crystal structure analysis revealed the difference of configuration and tautomer structure among those polymorphs. Bulk samples of three polymorphs (S1, S3 and S4) were successfully isolated from ethanol/water solution, while the metastable form S2 could not be obtained. Detailed property studies including solvent-mediated polymorph transformation, physical-chemical stability, and intrinsic dissolution of those polymorphs were conducted. Phase transformation from S3 to S4 in high-humidity conditions and accelerated conditions was driven by lowering of lattice energy. High hygroscopicity would accelerate the process. All polymorphs showed better chemical stability and greater dissolution rate compared to NIC. The binding energy between NIC and oxalate acid and crystal-solvent interaction were studied to investigate the correlation between polymorph packing and bulk property. The chemical stability of NIC was affected by the diversity in cation–anion binding modes, while the dissolution process of the polymorphs was influenced by the crystal face differences and the interaction between the crystal and solvent. It is the first time that four crystalline forms of NIC-OA are reported, and the structure and property diversity among these salt polymorphs are revealed with experiments and the quantum chemistry method, which provided new insights into the NIC-OA polymorphs in the crystal engineering field and might contribute to the property research of the complex pharmaceutical polymorphism system.

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Can vacuum morphologies predict solubility and intrinsic dissolution rate? A case study with felodipine polymorph form IV

Cited by 5 publications

References 29 publications

One-pot synthesis of sub-10 nm LiNbO₃nanocrystals exhibiting a tunable optical second harmonic response

One-pot synthesis of sub-10 nm LiNbO₃nanocrystals exhibiting a tunable optical second harmonic response

Baloxavir Marboxil Polymorphs: Investigating the Influence of Molecule Packing on the Dissolution Behavior

Insight into the Structure and Property Diversity of Four Nicorandil Oxalate Salt Polymorphs Based on Experiments and Quantum Chemistry Study

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Can vacuum morphologies predict solubility and intrinsic dissolution rate? A case study with felodipine polymorph form IV

Cited by 5 publications

References 29 publications

One-pot synthesis of sub-10 nm LiNbO3nanocrystals exhibiting a tunable optical second harmonic response

One-pot synthesis of sub-10 nm LiNbO3nanocrystals exhibiting a tunable optical second harmonic response

Baloxavir Marboxil Polymorphs: Investigating the Influence of Molecule Packing on the Dissolution Behavior

Insight into the Structure and Property Diversity of Four Nicorandil Oxalate Salt Polymorphs Based on Experiments and Quantum Chemistry Study

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One-pot synthesis of sub-10 nm LiNbO₃nanocrystals exhibiting a tunable optical second harmonic response

One-pot synthesis of sub-10 nm LiNbO₃nanocrystals exhibiting a tunable optical second harmonic response