Solubility of Toltrazuril and the Effect of a Cosolvent

Wu, Yüfang; Wu, Jiaqin; Cheng, Long; Wang, Jiachao

doi:10.1021/acs.jced.8b00581

Cited by 3 publications

(4 citation statements)

References 21 publications

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“…Modified Jouyban−Acree Model. 14,15 The Jouyban− Acree model, shown in eq 6, links the solubility of 7-azaindole in pure solvents with temperature and can more accurately describes the solubility of 7-azaindole in binary solvents (Figure 7, Tables 7 and 8).…”

Section: Resultsmentioning

confidence: 99%

Solubility and Dissolution Behavior Analysis of 7-Azaindole in Pure and Binary Mixture Solvents at Temperatures Ranging from 278.15 to 323.15 K

Deng

Zhao

et al. 2020

J. Chem. Eng. Data

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in this paper, the solubility of 7-azaindole was measured in nine pure solvents (ethanol, isopropanol, n-propanol, methanol, EA, acetone, acetonitrile, n-hexane, tetrahydrofuran, THF) as well as in three binary mixed solvents (acetone + n-hexane, THF + n-hexane, and isopropanol + n-hexane) by a gravimetric method at temperatures from 278.15 to 323.15 K under atmospheric pressure. The solubility of 7-azaindole in selected solvents is closely related to the temperature and solvent composition: in nine pure solvents, the order of solubility of 7-zazindole is THF > acetone > methanol > isopropanol ≥ EA > ethanol > acetonitrile > n-hexane when the temperature is below 298.15 K. Nevertheless, as the temperature increases continually (298.15–328.15 K), the order of solubility changes to THF > acetone > methanol > isopropanol > n-propanol > ethanol > EA > acetonitrile > n-hexane; in three binary mixed solvents, both the temperature and solvent composition can influence the solubility of 7-azaindole, and the latter has a greater impact. The modified Apelblat model, λh model, Jouyban–Acree model, and CNIBS/R–K equation were used to correlate the experimental value. In these models, the Apelblat equation is more suitable for correlating 7-azaindole solubility in nine pure solvents; however, for three binary mixed solvents, the solubility of 7-azaindole is closer to the simulated value of the Jouyban–Acree model. Moreover, the KAT LASER model was used to deeply understand the influence of solvents on the solubility of 7-azaindole by multiple linear regression analysis (MLRA) of the solvent parameters involved in this model.

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Section: Resultsmentioning

confidence: 99%

Solubility and Dissolution Behavior Analysis of 7-Azaindole in Pure and Binary Mixture Solvents at Temperatures Ranging from 278.15 to 323.15 K

Deng

Zhao

et al. 2020

J. Chem. Eng. Data

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“…10−12 Although Tol exhibits prominent pharmacological activities, its promising prospect is severely hampered by low aqueous solubility in the form of administration. 13,14 Some typical methods have been employed to improve the solubility and dissolution rate of Tol, such as solid dispersion, nanoemulsion, micronization, and cyclodextrin inclusion. 11,14,15 However, the stability and biocompatibility in these strategies have not yet met expectations.…”

Section: Introductionmentioning

confidence: 99%

“…Toltrazuril (Tol, Figure a), an acclaimed broad-spectrum and high-efficiency anticoccidial drug, is broadly applied in the prophylaxis and treatment of diseases in pets, livestock, poultry, and also in humans caused by Cryptosporidium , Eimeria, and Isospora . − Although Tol exhibits prominent pharmacological activities, its promising prospect is severely hampered by low aqueous solubility in the form of administration. , Some typical methods have been employed to improve the solubility and dissolution rate of Tol, such as solid dispersion, nanoemulsion, micronization, and cyclodextrin inclusion. ,, However, the stability and biocompatibility in these strategies have not yet met expectations. − In Tol molecule, the cyanurate scaffold (ring Cg1) possesses a coplanar π-conjugated configuration, and the Cg2 and Cg3 rings feature the high electron density based on the electrostatic potential (ESP), which will be conducive to constructing aromatic interactions with π···X interactions (Figure b). , Meanwhile, due to the attracting electron effect of the carbonyl groups, the H atom riding on the N atom in the Cg1 ring is obviously weakly acidic and the N(−H) atom becomes a stronger hydrogen bond donor. In addition, the rotatable σ bonds marked with red arrow in Figure a are prone to multiple configurations for packing.…”

Section: Introductionmentioning

confidence: 99%

Toltrazuril Polymorphs and the Effect on Hygroscopicity and Dissolution Rate

Zhang,

Chen,

Lin

et al. 2024

Crystal Growth & Design

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The different arrangement and/or conformation polymorphs frequently generate a pivotal difference in hygroscopicity, stability, and dissolvability. For the purpose of screening the preponderant polymorphs of toltrazuril (Tol) with the desired physicochemical property, two polymorphs (Forms I and II) are screened out, and structure−property relationships are meticulously explored. Interaction energy analyses show that Form II is not stronger than Form I in packing due to the lower intermolecular lattice energy. And the dissolution rate of Form II is higher than that of Form I because the loosened packing in Form II would facilitate diffusion and dissolution. The percentage of mass change of Forms I and II in hygroscopicity at 95% RH is less than 0.2%, and they are both nonhygroscopic crystalline forms. Interestingly, the weight increase of Form II at 95% RH is about twice that of Form I, which might be due to plentiful −CF 3 groups exposed on the facet (001) (about 72% area ratio) of Form II possessed a weakly negatively charged region to capture a few H 2 O molecules in surroundings. Overall, Form II not only exhibits higher solubility and dissolution rate relative to Form I, but also possesses good stability (high temperature, humidity, and light); hence, Form II might be an advantageous candidate crystalline form. This work may provide inspirational thinking for predicting the trends in hygroscopicity and dissolvability of polymorphic APIs and avoiding compromising upcoming pharmaceuticals.

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“…In the above‐mentioned models, radiation in thermal response prediction for composites was mostly evaluated with regarding the surface emissivity as a constant or a function of temperature or totally ignored. [ 7–11 ] Recently, researchers [ 12,13 ] simulated the proportion of different energy consuming paths of ablative materials such as radiation, pyrolysis, conduction [ 14–19 ] and heat blockage. The results showed that the outward radiation gradually became the main way consuming energy with increasing temperature and porosity of material.…”

Section: Introductionmentioning

confidence: 99%

Effect of meso‐structure characteristics on surface emissivity of 2.5D Woven ablative composite for thermal protection

Liang

Wang

et al. 2023

Polymer Composites

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Surface emissivity is an essential parameter for thermal radiation, which greatly influences thermal protection materials (TPMs) under high temperature. In the present study, dual-scale models of 2.5D woven carbon fiber fabric reinforced resin-based composites are built with different weaving parameters of fabric, to investigate the meso-structure influence on the surface emissivity, and the surface emissivity for different composites is calculated based on discrete ordinate method (DOM). Two morphological indexes are proposed to further analyze the effect of meso-structure characteristics on emissivity. The results show that the surface emissivity is mainly determined by the ablated woven composite within a certain depth. More compact in-plain weaving architecture improves surface emissivity, while more compact through-thethickness weaving architecture reduces the surface emissivity of 2.5D woven ablative composites. The meso-structure with a lower roughness factor and a higher specific surface area leads to intense surface radiation. This study can provide scientific guidance for the design of 2.5D woven ablative composite for thermal protection.

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Solubility of Toltrazuril and the Effect of a Cosolvent

Abstract: The purpose of this work is to study the dissolution process of toltrazuril and the influence of the solvent on solubility. In pure solvents, the solubility of toltrazuril increases with the increasing temperature, and the order of solubility data is as follows:

Cited by 3 publications

References 21 publications

Solubility and Dissolution Behavior Analysis of 7-Azaindole in Pure and Binary Mixture Solvents at Temperatures Ranging from 278.15 to 323.15 K

Solubility and Dissolution Behavior Analysis of 7-Azaindole in Pure and Binary Mixture Solvents at Temperatures Ranging from 278.15 to 323.15 K

Toltrazuril Polymorphs and the Effect on Hygroscopicity and Dissolution Rate

Effect of meso‐structure characteristics on surface emissivity of 2.5D Woven ablative composite for thermal protection

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