Effect of polyethylene glycol additives on the polymorph and crystal habit of carbamazepine
文献类型：期刊论文
| 作者 | Zhao, Kai1,2; Liu, Peng2; Li, Kexin1,2; Zhang, Yan2; Cao, Junya1; Cheng, Jingcai2; Yang, Chao2 |
| 刊名 | JOURNAL OF CRYSTAL GROWTH
 |
| 出版日期 | 2022-06-15 |
| 卷号 | 588页码:9 |
| ISSN号 | 0022-0248 |
| 关键词 | A1 Crystal habit Polymorph B2 Carbamazepine Polyethylene glycol B1 Additive |
| DOI | 10.1016/j.jcrysgro.2022.126644 |
| 英文摘要 | The effect of polyethylene glycol (PEG) with different molecular weights on carbamazepine (CBZ) crystallization was investigated by experiments and molecular dynamics (MD) simulations. The influence of PEG on the crystal morphology and solvent-mediated phase transition of CBZ was studied. It was found that PEG inhibited the CBZ III nucleation and CBZ II transition. The crystal morphology changes significantly from needle to rod when adding PEG with a molecular weight greater than 1500. MD simulations show that the binding energy sequence between the additive and the crystal surface is: Eb(1 -1 -1) > Eb(2 -2 1) > Eb(2 -1 0), which explains the suppression of axial crystal growth. The results provide a possible method to stabilize the metastable crystal form of CBZ and improve crystal morphology. |
| WOS关键词 | COOLING CRYSTALLIZATION ; SOLUBILITY ; SOLVENTS ; TRANSFORMATIONS |
| 资助项目 | National Natural Science Foundation of China[21938009] ; National Natural Science Foundation of China[22078332] ; National Natural Science Foundation of China[21878294] ; NSFC-EU project[31961133018] ; External Cooperation Program of BIC, Chinese Academy of Sciences[122111KYSB20190032] ; Chemical Engineering Guangdong Laboratory Shantou[1922006] |
| WOS研究方向 | Crystallography ; Materials Science ; Physics |
| 语种 | 英语 |
| 出版者 | ELSEVIER |
| WOS记录号 | WOS:000800001500008 |
| 资助机构 | National Natural Science Foundation of China ; NSFC-EU project ; External Cooperation Program of BIC, Chinese Academy of Sciences ; Chemical Engineering Guangdong Laboratory Shantou |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/53578]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Zhang, Yan; Cao, Junya; Yang, Chao |
| 作者单位 | 1.China Univ Min & Technol Beijing, Inst Chem & Environm Engn, Beijing 100083, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, CAS Key Lab Green Proc & Engn, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, Kai,Liu, Peng,Li, Kexin,et al. Effect of polyethylene glycol additives on the polymorph and crystal habit of carbamazepine[J]. JOURNAL OF CRYSTAL GROWTH,2022,588:9. |
| APA | Zhao, Kai.,Liu, Peng.,Li, Kexin.,Zhang, Yan.,Cao, Junya.,...&Yang, Chao.(2022).Effect of polyethylene glycol additives on the polymorph and crystal habit of carbamazepine.JOURNAL OF CRYSTAL GROWTH,588,9. |
| MLA | Zhao, Kai,et al."Effect of polyethylene glycol additives on the polymorph and crystal habit of carbamazepine".JOURNAL OF CRYSTAL GROWTH 588(2022):9. |
入库方式： OAI收割
来源：过程工程研究所
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