Evidence map›Paper›PMID 37520754›Full record

ArticleRSC advances2023

Solubility determination, dissolution properties and solid transformation of resmetirom (form A) in heptane and seven alcohols.

Chang Liu, Yue Xu, Haikuan Yuan, Guangxin Tian, Xiaolan Qin, Boxuan Lou, Xijian Liu, Lijuan Zhang, Jie Lu

Open access · goldAbstract read
In one paragraph

Article in RSC advances, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
0.9field-weighted citation impact, top 32% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed, 9 citations in OpenAlex.

  1. Article
  2. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors at 1 institution in 1 country.

Chang LiuCollege of Chemistry and Chemical Engineering, Shanghai University of Engineering Science Shanghai 201620 China yhk12345@163.com lujie@sues.edu.cn +86 21 67791214.
Yue XuCollege of Chemistry and Chemical Engineering, Shanghai University of Engineering Science Shanghai 201620 China yhk12345@163.com lujie@sues.edu.cn +86 21 67791214.
Haikuan YuanCollege of Chemistry and Chemical Engineering, Shanghai University of Engineering Science Shanghai 201620 China yhk12345@163.com lujie@sues.edu.cn +86 21 67791214.ORCID https://orcid.org/0000-0001-7280-2078
Guangxin TianCollege of Chemistry and Chemical Engineering, Shanghai University of Engineering Science Shanghai 201620 China yhk12345@163.com lujie@sues.edu.cn +86 21 67791214.
Xiaolan QinCollege of Chemistry and Chemical Engineering, Shanghai University of Engineering Science Shanghai 201620 China yhk12345@163.com lujie@sues.edu.cn +86 21 67791214.
Boxuan LouCollege of Chemistry and Chemical Engineering, Shanghai University of Engineering Science Shanghai 201620 China yhk12345@163.com lujie@sues.edu.cn +86 21 67791214.
Xijian LiuCollege of Chemistry and Chemical Engineering, Shanghai University of Engineering Science Shanghai 201620 China yhk12345@163.com lujie@sues.edu.cn +86 21 67791214.ORCID https://orcid.org/0000-0001-5856-9142
Lijuan ZhangCollege of Chemistry and Chemical Engineering, Shanghai University of Engineering Science Shanghai 201620 China yhk12345@163.com lujie@sues.edu.cn +86 21 67791214.ORCID https://orcid.org/0000-0001-7751-7700
Jie LuCollege of Chemistry and Chemical Engineering, Shanghai University of Engineering Science Shanghai 201620 China yhk12345@163.com lujie@sues.edu.cn +86 21 67791214.
Shanghai University of Engineering Science · CN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In this work, the solubility of resmetirom (form A) was initially measured in heptane and seven alcohol solvents by gravimetric methods. Then, the transformation temperature between form A and ethanol solvate was determined at 333.76 K. Subsequently, some commonly used models were applied to fit the solubility data, and it was found that the modified Apelblat equation and the Jouyban-Acree-van't Hoff (J-A-V) model achieved the highest correlation accuracy for those in mono-solvents and heptane + propanol, respectively. And the average relative deviation (ARD) values of models were less than 0.5%, indicating a good agreement with the experimental results. Additionally, through density functional theory calculation and the analysis of solvent parameters, it was observed that hydrogen-bonding played primary roles in the dissolution process of resmetirom. The multiple factors such as the polarity of solvent, active site interaction, the molecular size and free volume all affect the solubility of resmetirom. Furthermore, by comparing the experimental and simulated infrared spectra of form A and two alcohol solvates, five characteristic bands were selected for quantification. Partial least squares regression (PLSR), a multivariate statistical analysis method, was used to extract quantitative information. The quantitative analysis model was established based on specific wavelength intervals, which were associated with inter-molecular interactions. Combined with PLSR, a new high-precision quantitative method was established to study the solid transformation process between form A and solvates. From 303.15 to 323.15 K, the rate of transformation from form A to methanol solvate or ethanol solvate was decreased with increasing temperature, revealing that the transformation process was driven by the solubility difference between form A and solvates under the studied conditions. This research will definitely afford necessary solubility data and solvent selection for the design of the crystallization process of resmetirom (form A) in industry, and provide basic data for the production of resmetirom (form A) in the pharmaceutical industry.

Identifiers

PMID37520754
PMCPMC10372540
OpenAlexW4385362654

What Socratic holds

Textmetadata
LicenceCC BY-NC
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.