添加剂对氨基酸晶体形态的影响：理论和实验研究,The Journal of Physical Chemistry C

当前位置： X-MOL 学术 › J. Phys. Chem. C › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

添加剂对氨基酸晶体形态的影响：理论和实验研究
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2016-06-29 00:00:00 , DOI: 10.1021/acs.jpcc.6b04868
Edward N. Constance ₁ , Muzaffer Mohammed ₁ , Adeolu Mojibola ₁ , Micah Egiefameh ₁ , Oluseyi Daodu ₁ , Travis Clement ₁ , Taiwo Ogundolie ₁ , Chinenye Nwawulu ₁ , Kadir Aslan ₁

Affiliation

氨基酸的晶体形态可以通过在结构中加入量身定制的添加剂来以受控方式改变，以扩大其在药物设计和靶向递送中的应用范围。在这项研究中，研究了疏水性和亲水性氨基酸的多添加剂组合对1-丙氨酸生长和形态的影响。理论计算是使用Materials Studio软件中的两个晶体生长模型进行的：（1）内置模型；（2）表面对接模型。使用金属辅助微波加速蒸发结晶（MA-MAEC）技术进行了结晶实验，其中添加了化学计量为1的多种疏水和亲水氨基酸-丙氨酸溶液。建立晶体形态并将其与预测的晶体形态进行比较。预计使用亲水性和疏水性添加剂会在1-丙氨酸晶体的形态上产生重大变化。与疏水性氨基酸的多添加剂组合导致1-丙氨酸晶体通过（120）面伸长。关于添加剂引起的形态变化的实验数据与理论预测相符，表明理论模型在预测添加剂对晶体生长的影响方面的准确性。

"点击查看英文标题和摘要"

Effect of Additives on the Crystal Morphology of Amino Acids: A Theoretical and Experimental Study

The crystal morphology of amino acids can be altered in a controlled manner through inclusion of tailor-made additives in their structure, in order to widen their scope for applications in drug design and targeted delivery. In this study, the effect of multiadditive combinations of hydrophobic and hydrophilic amino acids on the growth and morphology of l-alanine was investigated. Theoretical calculations were performed using two crystal growth models in Materials Studio software: (1) build-in model; (2) surface docking model. Crystallization experiments were carried out using the metal-assisted and microwave accelerated evaporative crystallization (MA-MAEC) technique with multiple hydrophobic and hydrophilic amino acids added in stoichiometric amounts to l-alanine solution. The crystal morphology was established and compared with predicted crystal morphology. The use of hydrophilic and hydrophobic additives was predicted to have significant changes in the morphology of l-alanine crystals. Multiadditive combinations with hydrophobic amino acids resulted in elongation of l-alanine crystals through the (120) face. Experimental data corroborates with the theoretical predictions in relation to the morphological changes due to additives, indicating the accuracy of theoretical models in predicting the impact of additives in crystal growth.

更新日期：2016-06-29

点击分享查看原文

点击收藏

阅读更多本刊新发论文本刊介绍/投稿指南