推动技术的边界,以检验合规的多态性
Martin R Ward1, Christopher R Taylor2, Matthew T Mulvee3
1Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161 Cathedral Street, Glasgow G4 0RE, U.K.
Crystal growth & design
|October 9, 2023
概括
研究人员通过结合实验和计算方法探索了propamide (CPA) 固体形式. 他们发现了新的多态,包括通过喷雾干燥的转移稳定形式,并解决了以前识别的形式.
科学领域:
- 固态化学 固态化学
- 晶体学 晶体学是指结晶学.
- 材料科学是一种材料科学.
背景情况:
- 了解固态形式对于药物开发和制造至关重要.
- 公 (CPA) 呈现复杂的多态性,需要进行彻底的调查.
研究的目的:
- 为了广泛探索胺 (CPA) 的固体形态景观.
- 发现和描述CPA的新多态和多元组件形式.
- 展示一种结合实验和计算的方法来控制多态.
主要方法:
- 灵活分子晶体结构预测.
- 喷雾干燥的实验. 喷雾干燥的实验.
- 球磨 球磨 球磨
- 杂质和凝辅助结晶. 杂质和凝辅助结晶.
主要成果:
- 获得了CPA的新形态多态,并对其进行了上下文化.
- 通过喷雾干燥形成了一种新型的转移性多态 (ζ-CPA).
- 识别并解决了CPA的球磨 η-形式.
- 新的多元组件形式被成功合成.
结论:
- 综合实验计算方法有效地揭示和控制新型变态稳定的固体形式的形成.
- 这一策略增强了对公胺多态的理解和操纵.
- 该研究强调了发现具有定制性质的新型固体形式的潜力.
相关概念视频
01:15¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR
1.1K
The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
1.1K
00:52¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
870
At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
870