Relevant bibliographies by topics / Solution mediated polymorphic transformations

Academic literature on the topic 'Solution mediated polymorphic transformations'

Author: Grafiati
Published: 10 December 2022
Last updated: 28 January 2023

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Journal articles on the topic "Solution mediated polymorphic transformations"

1

Wantha, Lek. "Kinetics of the Solution-Mediated Polymorphic Transformation of Organic Compounds." Current Pharmaceutical Design 24, no. 21 (October 15, 2018): 2383–93. http://dx.doi.org/10.2174/1381612824666180601093228.

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Polymorphism is a behavior of a substance to crystallize into more than one district crystal structures. Preferential formation of a polymorph depends strongly on the kinetics of the relevant mechanisms. Solutionmediated polymorphic transformation is an important mechanism in crystallization of organic compounds from solution. Knowing its kinetics allows us to understand the process and control the polymorphic formation. In this review, concepts, kinetics, and process modeling of crystallization and solution-mediated polymorphic transformation are examined and summarized.
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2

O'Mahony, Marcus, Anthony Maher, Denise Croker, Ake Rasmuson, and Benjamin Hodnett. "Redefining Solution-Mediated Transformations: Pharmaceutical Systems." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1571. http://dx.doi.org/10.1107/s2053273314084289.

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Engineering the isolation of a metastable or stable crystalline phase of an active pharmaceutical ingredient (API) is of critical importance when crystallizing from solution as an uncontrolled outcome can directly affect API manufacture and performance. The theoretical framework for understanding solution-mediated crystal phase or polymorphic transformation (SMPT) was first established by Cardew & Davey.[1] The process is defined to consist of a metastable phase that dissolves and a stable phase that nucleates and grows independently from the solution. That paper also identified that in terms of a reaction pathway, SMPT could be controlled in either of two ways: by growth of the stable phase or dissolution the metastable phase. Studies concerning SMPT since then have brought the definition and those conclusions into question. Firstly, the recent case of the SMPT from FI to FIII carbamazepine and FII to FIII piractem were studied separately where data on both the solid state composition and solution concentration were collected during the transformation using powder X-ray diffraction and in situ infra-red spectroscopy, respectively. These studies, in combination with a brief review of the literature, reveal that SMPT can be controlled not only in the two ways described by Cardew & Davey but rather in 4 principal ways (Figure 1).[2] Secondly, many studies now identify that nucleation of the stable phase often occurs on the surface of the metastable phase during SMPT [3] and not independently from solution. Again when the literature is examined, this surface supported nucleation event is identified as being either epitaxial in nature or having no or inconclusive evidence of epitaxy. It is concluded that the term "independently" in the definition by Cardew & Davey be redefined to recognize that the crystallization of the stable phase during SMPT is often dependent on the surface of the metastable phase in solution.
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3

Munroe, Áine, Denise M. Croker, Åke C. Rasmuson, and Benjamin K. Hodnett. "Solution-Mediated Polymorphic Transformation of FV Sulphathiazole." Crystal Growth & Design 14, no. 7 (June 2, 2014): 3466–71. http://dx.doi.org/10.1021/cg500395e.

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4

Zhou, Yanan, Shuyi Zong, Jie Gao, Chunsong Liu, and Ting Wang. "Solution-Mediated Polymorphic Transformation of L-carnosine from Form II to Form I." Crystals 12, no. 7 (July 21, 2022): 1014. http://dx.doi.org/10.3390/cryst12071014.

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In this study, L-carnosine was chosen as the model compound to systematically study solution-mediated polymorphic transformation by online experiment and theoretical simulation. Form II, a new polymorph of L-carnosine, was developed using an antisolvent crystallization method. The properties of form I and form II L-carnosine were characterized by powder X-ray diffraction, polarizing microscope, thermal analysis, and Raman spectroscopy. In order to explore the relative stability, the solubility of L-carnosine form I and form II in a (water + DMAC) binary solvent mixture was determined by a dynamic method. During the solution-mediated polymorphic transformation process of L-carnosine in different solvents, Raman spectroscopy was employed to detect the solid-phase composition of suspension in situ, and the gravimetric method was used to measure the liquid concentration. In addition, the effect of the solvent on the transformation process was evaluated and analyzed. Finally, a mathematical model of dissolution–precipitation was established to simulate the kinetics of the polymorphic transformation process based on the experimental data. Taking the simulation results and the experimental data into consideration, the controlling step of solution-mediated polymorphic transformation was discussed.
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An, Ji-Hun, Wonno Youn, Alice Kiyonga, Changjin Lim, Minho Park, Young-Ger Suh, Hyung Ryu, Jae Kim, Chun-Woong Park, and Kiwon Jung. "Kinetics of the Solution-Mediated Polymorphic Transformation of the Novel l-Carnitine Orotate Polymorph, Form-II." Pharmaceutics 10, no. 4 (October 1, 2018): 171. http://dx.doi.org/10.3390/pharmaceutics10040171.

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Research studies related to the polymorphs of l-Carnitine orotate (CO), a medication used for the treatment and prevention of liver diseases, are insignificant or almost nonexistent. Accordingly, in the present study, l-Carnitine orotate (CO) was prepared for investigating CO polymorphs. Here, a reactive crystallization was induced by reacting 1g of l-Carn (1 equivalent) and 0.97 g of OA (1 equivalent) in methanol (MeOH); as a result, CO form-I and CO form-II polymorphs were obtained after 1 h and 16 h of stirring, respectively. The characterization of CO polymorphs was carried out utilizing Powder X-ray diffraction (PXRD), Differential Scanning Calorimetry (DSC), Thermogravimetric Analysis (TGA) and solid-state Nuclear Magnetic Resonance Spectroscopy (solid-state CP/MAS 13C-NMR). The solution-mediated polymorphic transformation (SMPT) of CO polymorphs was investigated in MeOH at controlled temperature and fixed rotational speed. The results revealed that CO form-I is a metastable polymorph while CO form-II is a stable polymorph. From the same results, it was confirmed that CO form-I was converted to CO form-II during the polymorphic phase transformation process. Moreover, it was assessed that the increase in temperature and supersaturation level significantly promotes the rate of nucleation, as well as the rate of mass transfer of CO form-II. In addition, nucleation and mass transfer equations were employed for the quantitative determination of SMPT experimental results. Lastly, it was suggested that CO form-II was more thermodynamically stable than CO form-I and that both polymorphs belong to the monotropic system.
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6

Zhu, Manli, Yongli Wang, Fei Li, Ying Bao, Xin Huang, Huanhuan Shi, and Hongxun Hao. "Theoretical Model and Experimental Investigations on Solution-Mediated Polymorphic Transformation of Theophylline: From Polymorph I to Polymorph II." Crystals 9, no. 5 (May 19, 2019): 260. http://dx.doi.org/10.3390/cryst9050260.

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In this work, theophylline was selected as the model compound to study and simulate the solution-mediated polymorphic transformation. The polymorph I and polymorph II of theophylline were prepared and fully characterized. Raman and UV spectra methods were carried out to observe the phase transformation of theophylline from polymorph I to polymorph II at different temperatures. The theoretical models, including dissolution model, nucleation model, and growth model, were established to describe and simulate the transformation processes. By combination of experiments and simulations, the controlling steps of the transformation processes were discussed. The effects of temperature and/or solvent on the transformation processes were evaluated. This work can shed light on the polymorphic transformation processes.
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7

Jing, Dingding, Yuan Gu, and Huiming Xia. "Solid-State and Solution-Mediated Polymorphic Transformation of Rifampicin." Chemical Engineering & Technology 41, no. 6 (May 3, 2018): 1236–43. http://dx.doi.org/10.1002/ceat.201700233.

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8

Davey, R. J., N. Blagden, S. Righini, H. Alison, and E. S. Ferrari. "Nucleation Control in Solution Mediated Polymorphic Phase Transformations: The Case of 2,6-Dihydroxybenzoic Acid." Journal of Physical Chemistry B 106, no. 8 (February 2002): 1954–59. http://dx.doi.org/10.1021/jp013044i.

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9

Purba, Elida. "DETERMINATION OF REACTION KINETICS USING ONLINE X-RAY DIFFRACTION." Indonesian Journal of Chemistry 8, no. 3 (June 17, 2010): 337–41. http://dx.doi.org/10.22146/ijc.21588.

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X-ray diffraction (XRD) is a powerful technique for the study of polymorphism and polymorphic phase transformations. Monitoring of phase transformation directly has been very limited to-date. The XRD system used in this study was used to determine the rate of transformation of pure glutamic acid a form to b form in a solution mediated phase. On every run starting from the pure a form, the transformation process was monitored continuously at fixed temperature, and separate experiments were performed as a function of temperature. The operating temperature was varied from 36 to 57 °C with 10% w/w solid concentration. Data were taken every 200 seconds until the transformation was completed. This paper is concerned with a study of the transformation of the alpha (a) form of L-glutamic acid (L-GA) to the beta (b) form in order to determine the kinetic reaction. The rate constant (k), activation energy (Ea) and pre-exponential factor (A) were obtained. Sensitivity tests were also carried out to examine minimum detection limit when both a and b present in the mixture. In addition, effect of particle size on XRD patterns was also determined. The results show that XRD gives useful information to observe polymorphism for pharmaceutical industry. Keywords: XRD, polymorphism, glutamic acid, reaction kinetics
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10

Sheikhzadeh, M., S. Murad, and S. Rohani. "Response surface analysis of solution-mediated polymorphic transformation of buspirone hydrochloride." Journal of Pharmaceutical and Biomedical Analysis 45, no. 2 (October 2007): 227–36. http://dx.doi.org/10.1016/j.jpba.2007.06.001.

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Dissertations / Theses on the topic "Solution mediated polymorphic transformations"

1

Schweinefuß, Maria E., Sergej Springer, Igor A. Baburin, Todor Hikov, Klaus Huber, Stefano Leoni, and Michael Wiebcke. "Zeolitic imidazolate framework-71 nanocrystals and a novel SOD-type polymorph: solution mediated phase transformations, phase selection via coordination modulation and a density functional theory derived energy landscape." Royal Society of Chemistry, 2014. https://tud.qucosa.de/id/qucosa%3A36102.

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We report a rapid additive-free synthesis of nanocrystals (NCs) of RHO-type ZIF-71 (1) of composition [Zn(dcim)₂] (dcim = 4,5-dichloroimidazolate) in 1-propanol as solvent at room temperature. NC-1 has a size of 30–60 nm and exhibits permanent microporosity with a surface area (SBET = 970 m² g−¹) comparable to that of microcrystalline material. When kept under the mother solution NC-1 undergoes transformation into a novel SOD-type polymorph (2), which in turn converts into known ZIF-72 (3) with lcs topology. It is shown that microcrystals (MCs) of 2 can be favourably synthesised using 1-methylimidazole as a coordination modulator. NC-2 with size <200 nm was prepared using NC-ZIF-8 as a template with SOD topology in a solvent assisted ligand exchange-related process. DFT-assisted Rietveld analysis of powder XRD data revealed that novel polymorph 2 possesses an unusual SOD framework conformation. 2 was further characterised with regard to microporosity (SBET = 597 m² g−¹) and thermal as well as chemical stability. DFT calculations were performed to search for further potentially existing but not-yet synthesised polymorphs in the [Zn(dcim)₂] system.
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Maher, A., D. M. Croker, Colin C. Seaton, Å. C. Rasmuson, and B. K. Hodnett. "Solution-Mediated Polymorphic Transformation: Form II to Form III Piracetam in Organic Solvents." 2014. http://hdl.handle.net/10454/10191.

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The solution-mediated polymorphic transformation from Form II to Form III 2-oxo-1-pyrrolidine acetamide (piracetam) was investigated in seven organic solvents over the temperature range of 5–50 °C. The transformation rate increased as a function of temperature, agitation, and the solubility of piracetam in the host solvent. However, this trend was reversed in 2-propanol. Molecular modeling demonstrated that 2-propanol forms interactions with piracetam molecules in solution stronger than those formed by other solvents, thereby retarding the nucleation and growth of FIII(6.525) during the transformation in this solvent.
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