Surface functionalization in combination with confinement for crystallization from undersaturated solutions

Vartak, Shankul; Dwyer, Leia M.; Myerson, Allan S.

doi:10.1039/c8ce01543k

Cited by 11 publications

(11 citation statements)

References 16 publications

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“…TGA results are shown in Figure S3 and listed in Table S1. The actual drug loading in composites was determined on basis of the weight loss in TGA curves . Experimental VXT loadings were in accordance with the theoretical values.…”

Section: Results and Discussionmentioning

confidence: 68%

“…These composites had glass transition temperatures ( T g ) ranging from 258 to 268 K. The T g of confined VXT was found to be lower than the bulk T g (280.3 K), which was also observed for other confined drugs. , If there was amorphous VXT on the outer surface of silica particles, the exothermic crystallization peak and endothermic melting peak would appear in the DSC curve, similar to that of the bulk amorphous VXT. There was only an amorphous glass transition peak in the DSC curve of pure amorphous composites, indicating that amorphous VXT was completely loaded in silica pores without overfilling. − In addition, such a confined environment could well suppress the crystallization of amorphous VXT in silica pores when heated …”

Section: Results and Discussionmentioning

confidence: 99%

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Influence of Adsorption State and Molecular Interaction on Physical Stability of Confined Amorphous Vortioxetine

et al. 2021

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The composites of amorphous vortioxetine (VXT) and ordered mesoporous silica were prepared. Three silica matrixes with different pore sizes were used here: Mobil Composition of Matter No.41 (MCM), Santa Barbara Amorphous No.15 (SBA), and mesostructured cellular foam (MCF). The amorphous composites behaved enhanced physical stability (303.15 K, 56.0 ± 0.4% RH) compared to bulk VXT amorphism. Interestingly, the physical stability of these amorphous composites showed a great difference. Amorphous VXT loaded in MCF crystallized within 1 week, while VXT-SBA composites could be stable over 3 months. The stability of VXT-MCM composites were somewhere in between. In addition, with VXT loading decreasing, the physical stability of confined amorphous VXT became better. Nitrogen adsorption measurements indicated that VXT molecules were adsorbed in SBA in a dispersive state while aggregated in MCM and MCF. VXT-VXT interactions in MCM could be stronger than that in SBA. 1 H-13 C solid-state nuclear magnetic resonance experiments demonstrated the weaker VXT-VXT interactions in SBA. The dispersive adsorption state and weak VXT-VXT interactions were benefit to the physical stability of amorphous VXT in SBA channels. In addition, dissolution profiles of confined amorphous VXT and bulk crystalline VXT were determined and the dissolution rate of VXT loaded in nanopores was faster than the latter.

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Section: Results and Discussionmentioning

confidence: 68%

Section: Results and Discussionmentioning

confidence: 99%

Influence of Adsorption State and Molecular Interaction on Physical Stability of Confined Amorphous Vortioxetine

et al. 2021

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“…Crystallization is an important unit operation for separating and purifying solid-state substances in industry, which is driven by the thermodynamically chemical potential difference between the equilibrated system and the supersaturated solution. − This leads to the significance of the investigation on multicomponent solid–liquid equilibrium with practical applications in chemical, pharmaceutical, food, material, and petrochemical fields . The widespread database on the solubility of solutes in solvents is of great importance for obtaining high-purity products by crystallization. , Furthermore, solubility can influence not only crystal habits, purity, yield, crystal size distribution, and polymorphism in crystallization but also the delivery, bioavailability, efficacy, and bioseparation of drugs .…”

Section: Introductionmentioning

confidence: 99%

Solubility Behavior and Polymorphism of N-Acetyl-l-proline in 16 Individual Solvents from 283.15 to 323.15 K

Huang

Qiu

et al. 2021

J. Chem. Eng. Data

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The mole fraction solubility data of N-acetyl-l-proline in 16 neat solvents (water, methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, sec-butanol, n-pentanol, acetone, 2-butanone, acetonitrile, dichloromethane, methyl acetate, ethyl acetate, and 1,4-dioxane) covering a temperature range of 283.15–323.15 K were measured by the static gravimetric method. The polymorphism of N-acetyl-l-proline was investigated by the powder X-ray diffraction test and the patterns show that there are two polymorphs within the studied solid–liquid equilibrium systems. The increasing temperature shows a positive effect on N-acetyl-l-proline solubility in all of the solvents and the largest increasing rate is observed in acetonitrile with an increase of 16-fold. The solubility behavior was found to be influenced by five factors including polarity, hydrogen bonding, solvent–solvent interactions, molecular construction, and viscosity. Two thermodynamic models, i.e., the modified Apelblat model and the Yaws model, were used for the correlation of solubility data. To evaluate the fitting results, the average relative deviation (ARD) and root-mean-square deviation (RMSD), as well as the Akaike information criterion (AIC) and Akaike weights, were computed for each model.

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“…Solubility is an important physicochemical property for the extraction and purification of solid-state substances in the crystallization unit operation, which has guiding significance for solvent selection and temperature control in the production process. , As for the design and optimization of crystallization, the yield and quality of the product are closely related to the solubility . However, the research on PABEH in the previous literature mainly focused on the synthesis ,,− as well as its use.…”

Section: Introductionmentioning

confidence: 99%

Measurement and Correlation of l-Phenylalanine Benzyl Ester Hydrochloride Solubility in 11 Individual Solvents and a Methanol + Acetone Binary Solvent System from 283.15 to 323.15 K

Huang

Qiu

et al. 2021

J. Chem. Eng. Data

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The mole fraction solubility data of L-phenylalanine benzyl ester hydrochloride in 11 neat solvents including, methanol, ethanol, n-propanol, n-butanol, n-pentanol, i-butanol, i-propanol, water, acetone, acetonitrile, and ethyl acetate, as well as one binary mixed solvent of methanol + acetone were measured using the static gravimetric method at a temperature interval of "T = 283.15−323.15 K" and a pressure of "p = 98.8 kPa". The powder X-ray diffraction test was employed to identify the solid-phase characterization of Lphenylalanine benzyl ester hydrochloride in the investigated solvent systems. At constant solvent composition, the solubility was positively correlated with temperature. In the selected monosolvents, the solubility of L-phenylalanine benzyl ester hydrochloride was restricted by multiple factors, and the following order was obtained: methanol > ethanol > n-propanol > n-butanol > n-pentanol > i-butanol > i-propanol > acetone > acetonitrile > ethyl acetate (except for water, which intersects with other solvents). In addition, the modified Apelblat model and the Apelblat−Jouyban−Acree model were employed to fit the solubility data.

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Surface functionalization in combination with confinement for crystallization from undersaturated solutions

Abstract: Functionalized nanoporous silica can induce crystallization from undersaturated solutions due to the combined effects of antisolvent functionalization and confinement.

Cited by 11 publications

References 16 publications

Influence of Adsorption State and Molecular Interaction on Physical Stability of Confined Amorphous Vortioxetine

Influence of Adsorption State and Molecular Interaction on Physical Stability of Confined Amorphous Vortioxetine

Solubility Behavior and Polymorphism of N-Acetyl-l-proline in 16 Individual Solvents from 283.15 to 323.15 K

Measurement and Correlation of l-Phenylalanine Benzyl Ester Hydrochloride Solubility in 11 Individual Solvents and a Methanol + Acetone Binary Solvent System from 283.15 to 323.15 K

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