Shape prediction for supramolecular organic nanostructures: [4 + 4] macrocyclic tetrapods

Briggs M.E.; Jelfs K.E.; Chong S.Y.; Lester C.; Schmidtmann M.; Adams D.J.; Cooper A.I.

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Shape prediction for supramolecular organic nanostructures: [4 + 4] macrocyclic tetrapods

机译：超分子有机纳米结构的形状预测：[4 + 4]大环四足动物

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Two [4 + 4] imine cages were synthesized with a unique macrocyclic tetrapod shape. The 3-dimensional structures of both molecules were predicted a priori by using conformer searching routines, illustrating a computational strategy with the potential to target new organic molecules with shape-persistent, intrinsic pores. These methods, in combination with crystal structure prediction, form part of a broader strategy for the computationally led synthesis of functional organic solids.

机译：合成了两个[4 + 4]亚胺笼，具有独特的大环四足动物形状。这两个分子的3维结构通过使用构象异构搜索例程进行了先验预测，说明了一种计算策略，该策略有可能靶向具有形状持久性固有孔的新有机分子。这些方法与晶体结构预测相结合，构成了功能性有机固体的计算主导合成的更广泛策略的一部分。

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来源
《Crystal growth & design》 |2013年第11期|共8页
作者
Briggs M.E.; Jelfs K.E.; Chong S.Y.; Lester C.; Schmidtmann M.; Adams D.J.; Cooper A.I.;
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原文格式 PDF
正文语种 eng
中图分类晶体学;
关键词
prediction; nanostructures; tetrapods;

机译：预测;纳米结构;四足动物;

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1. Shape prediction for supramolecular organic nanostructures: [4 + 4] macrocyclic tetrapods [J] . Briggs M.E., Jelfs K.E., Chong S.Y., Crystal growth & design . 2013,第11期

机译：超分子有机纳米结构的形状预测：[4 + 4]大环四足动物
2. Changing the Shape of ZnO Nanostructures by Controlling Oxygen Concentration: From Tetrapod-Like to Dandelion-Like Nanostructures [J] . YU QIU, LIZHONG HU, HEQIU ZHANG Integrated Ferroelectrics . 2011,第Null期

机译：通过控制氧气浓度改变ZnO纳米结构的形状：从四足类到蒲公英类纳米结构
3. Changing the Shape of ZnO Nanostructures by Controlling Oxygen Concentration: From Tetrapod-Like to Dandelion-Like Nanostructures [J] . Yu Qiua Lizhong Hua Heqiu Zhanga Lina Wanga Jinxue Maa, Bin Wanga Integrated Ferroelectrics: An International Journal . 2011,第1期

机译：通过控制氧气浓度来改变ZnO纳米结构的形状：从四足类到蒲公英类纳米结构
4. Changing the shape of ZnO nanostructures by controlling oxygen concentration: from tetrapod-like to dandelion-like nanostructures [C] . Y. Qiu, L.Z.Hu, H.Q.Zhang, 2010 International conference of international conference on combating land degradation in agricultral areas. . 2010

机译：通过控制氧浓度来改变ZnO纳米结构的形状：从四足状到蒲公英状纳米结构
5. Design and Synthesis of Macrocyclic Peptides for Studying the Supramolecular Assemblies of β-Sheets [D] . Klun, Matthew Thomas 2015

机译：研究β-Sheets超分子组装的大环肽的设计与合成
6. Shape Dependent Targeting of Injured Blood Vessels by Peptide Amphiphile Supramolecular Nanostructures [O] . Tyson J. Moyer, Hussein A. Kassam, Edward S. M. Bahnson, -1

机译：肽两亲性超分子纳米结构对受伤血管的形状依赖性靶向。
7. Supramolecular Redox Transduction: Macrocyclic Receptors for Organic Guests [O] . S. Goeb, D. Canevet, M. Sallé 2014

机译：超分子氧化还原转导：有机客人的大环受体
8. Nonlinear Optical Properties of Nanostructured Supramolecular Organic Semiconductor [R] . Seo, J. , Yang, Q. , Ma, S. , 2006

机译：纳米结构超分子有机半导体的非线性光学性质

Shape prediction for supramolecular organic nanostructures: [4 + 4] macrocyclic tetrapods

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