Enabling technology for accelerated discovery of supramolecular materials

C. E. Shields, A. M. Scholes and A. G. Slater

Chem. Sci., 2025, 16, 20124
DOI: 10.1039/D5SC03960F

Computationally-inspired discovery of an unsymmetrical porous organic cage

Enrico Berardo, Rebecca L. Greenaway, Lukas Turcani, Ben M. Alston, Michael J. Bennison, Marcin Miklitz, Rob Clowes, Michael E. Briggs, Andrew I. Cooper and Kim E. Jelfs

Nanoscale, 2018, 10, 22381
DOI: 10.1039/C8NR06868B

Dynamic and solid-state behaviour of bromoisotrianglimine

Abbie M. Scholes, Laurence J. Kershaw Cook, Filip T. Szczypiński, Konstantin V. Luzyanin, Benjamin D. Egleston, Rebecca L. Greenaway and Anna G. Slater

Chem. Sci., 2024, 15, 14254
DOI: 10.1039/D4SC04207G

Solvothermal synthesis of porous organic cage CC3 in the presence of dimethylformamide as solvent

Jolie Lucero, James M. Crawford, Carla Osuna and Moises A. Carreon

CrystEngComm, 2019, 21, 5039
DOI: 10.1039/C9CE00662A

Microwave-assisted synthesis of porous organic cages CC3 and CC2

Jolie Lucero, Carla Osuna, James M. Crawford and Moises A. Carreon

CrystEngComm, 2019, 21, 4534
DOI: 10.1039/C9CE00880B

Programmable synthesis of organic cages with reduced symmetry

Keith G. Andrews, Peter N. Horton and Simon J. Coles

Chem. Sci., 2024, 15, 6536
DOI: 10.1039/D4SC00889H

Molecular blends of methylated-poly(ethylenimine) and amorphous porous organic cages for SO2 adsorption

Guanghui Zhu, Jan-Michael Y. Carrillo, Achintya Sujan, Claudia N. Okonkwo, Sangjae Park, Bobby G. Sumpter, Christopher W. Jones and Ryan P. Lively

J. Mater. Chem. A, 2018, 6, 22043
DOI: 10.1039/C8TA02788A

Evaluation of packing single and multiple atoms and molecules in the porous organic cage CC3-R

Nida A. McKee and Michael L. McKee

Phys. Chem. Chem. Phys., 2021, 23, 19255
DOI: 10.1039/D1CP01934A

Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation

C. E. Shields, T. Fellowes, A. G. Slater, A. I. Cooper, K. G. Andrews and F. T. Szczypiński

Chem. Commun., 2024, 60, 6023
DOI: 10.1039/D4CC01407C

Chiral self-sorting and guest recognition of porous aromatic cages

Dong-Xu Cui, Yun Geng, Jun-Ning Kou, Guo-Gang Shan, Chun-Yi Sun, Kun-Hao Zhang, Xin-Long Wang and Zhong-Min Su

Nat Commun, 2022, 13
DOI: 10.1038/s41467-022-31785-4

De Novo Construction of Catenanes with Dissymmetric Cages by Space‐Discriminative Post‐Assembly Modification

Pan Li, Shijun Xu, Chunyang Yu, Zi‐Ying Li, Jianping Xu, Zi‐Mu Li, Lingyi Zou, Xuebing Leng, Shan Gao, Zhiqiang Liu, Xiaoyun Liu and Shaodong Zhang

Angewandte Chemie, 2020, 132, 7179
DOI: 10.1002/ange.202000442

Assembling ionic liquid into porous molecular filler of mixed matrix membrane to trigger high gas permeability, selectivity, and stability for CO2/CH4 separation

Liting Yu, Liqin Hao, Yang Feng, Jia Pang, Mengwei Guo, Liangjun Li, Weidong Fan, Lili Fan, Rongming Wang, Zixi Kang and Daofeng Sun

Nano Res., 2024, 17, 4535
DOI: 10.1007/s12274-023-6329-z

Covalent organic cages in supramolecular separation

Ishfaq Ahmad Rather, Fei Wang, Rafia Siddiqui, Meiyue Zhang, Wei Zhou, Xiao Cai and Qing He

Coordination Chemistry Reviews, 2025, 535, 216648
DOI: 10.1016/j.ccr.2025.216648

De Novo Construction of Catenanes with Dissymmetric Cages by Space‐Discriminative Post‐Assembly Modification

Pan Li, Shijun Xu, Chunyang Yu, Zi‐Ying Li, Jianping Xu, Zi‐Mu Li, Lingyi Zou, Xuebing Leng, Shan Gao, Zhiqiang Liu, Xiaoyun Liu and Shaodong Zhang

Angew Chem Int Ed, 2020, 59, 7113
DOI: 10.1002/anie.202000442

Chiral Self‐sorting of Giant Cubic [8+12] Salicylimine Cage Compounds

Philippe Wagner, Frank Rominger, Wen‐Shan Zhang, Jürgen H. Gross, Sven M. Elbert, Rasmus R. Schröder and Michael Mastalerz

Angewandte Chemie, 2021, 133, 8978
DOI: 10.1002/ange.202016592

In Silico Prediction of Structural Properties of a Racemic Porous Organic Cage Crystal

Yang Liu, Guanghui Zhu, Wenqin You, Hongjian Tang, Christopher W. Jones, Ryan P. Lively and David S. Sholl

J. Phys. Chem. C, 2019, 123, 1720
DOI: 10.1021/acs.jpcc.8b08838

A Chiral Bis‐Naphthylated Tetrandrine Dibromide: Synthesis, Self‐Assembly into an Organic Framework Based On Nanosized Spherical Cages, and Inclusion Studies

Raymundo Escobar‐Picos, María G. Vasquez‐Ríos, Rogerio R. Sotelo‐Mundo, Vojtech Jancik, Diego Martínez‐Otero, Viviana Calvillo‐Páez, Herbert Höpfl and Karen Ochoa Lara

ChemPlusChem, 2019, 84, 1140
DOI: 10.1002/cplu.201900344

Beyond symmetric self-assembly and effective molarity: unlocking functional enzyme mimics with robust organic cages

Keith G Andrews

Beilstein J. Org. Chem., 2025, 21, 421
DOI: 10.3762/bjoc.21.30

Materials Precursor Score: Modeling Chemists’ Intuition for the Synthetic Accessibility of Porous Organic Cage Precursors

Steven Bennett, Filip T. Szczypiński, Lukas Turcani, Michael E. Briggs, Rebecca L. Greenaway and Kim E. Jelfs

J. Chem. Inf. Model., 2021, 61, 4342
DOI: 10.1021/acs.jcim.1c00375

Kinetic and Thermodynamic Control in Dynamic Covalent Synthesis

Andrew J. Greenlee, Chloe I. Wendell, Morgan M. Cencer, Summer D. Laffoon and Jeffrey S. Moore

Trends in Chemistry, 2020, 2, 1043
DOI: 10.1016/j.trechm.2020.09.005

Chiral Self‐sorting of Giant Cubic [8+12] Salicylimine Cage Compounds

Philippe Wagner, Frank Rominger, Wen‐Shan Zhang, Jürgen H. Gross, Sven M. Elbert, Rasmus R. Schröder and Michael Mastalerz

Angew Chem Int Ed, 2021, 60, 8896
DOI: 10.1002/anie.202016592

Synthesis of porous organic cage CC3 via solvent modulated evaporation

Jolie M. Lucero, Jacek B. Jasinski, Miao Song, Dongsheng Li, Lili Liu, Jun Liu, James J. De Yoreo, Praveen K. Thallapally and Moises A. Carreon

Inorganica Chimica Acta, 2020, 501, 119312
DOI: 10.1016/j.ica.2019.119312

Queer in Chem: Q&A with Professor Anna G. Slater

Commun Chem, 2023, 6
DOI: 10.1038/s42004-023-00974-7

The Difference in Performance and Compatibility between Crystalline and Amorphous Fillers in Mixed Matrix Membranes for Gas Separation (MMMs)

Mariolino Carta, Ariana R. Antonangelo, Johannes Carolus Jansen and Mariagiulia Longo

Polymers, 2023, 15, 2951
DOI: 10.3390/polym15132951

Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages

Tobias H. G. Schick, Frank Rominger and Michael Mastalerz

J. Org. Chem., 2020, 85, 13757
DOI: 10.1021/acs.joc.0c01887

Inducing Social Self‐Sorting in Organic Cages To Tune The Shape of The Internal Cavity

Valentina Abet, Filip T. Szczypiński, Marc A. Little, Valentina Santolini, Christopher D. Jones, Robert Evans, Craig Wilson, Xiaofeng Wu, Michael F. Thorne, Michael J. Bennison, Peng Cui, Andrew I. Cooper, Kim E. Jelfs and Anna G. Slater

Angewandte Chemie, 2020, 132, 16898
DOI: 10.1002/ange.202007571

stk: A python toolkit for supramolecular assembly

Lukas Turcani, Enrico Berardo and Kim E. Jelfs

J Comput Chem, 2018, 39, 1931
DOI: 10.1002/jcc.25377

Porous Organic Cage Membranes for Biofuel Purification via Pervaporation: A Molecular Simulation Study

Jie Liu, Lin Li, Zitong Zhao and Faquan Yu

ACS Sustainable Chem. Eng., 2021, 9, 14890
DOI: 10.1021/acssuschemeng.1c05003

SbPh3-based organic molecular cage for size-controlled preparation and stabilization of palladium nanoparticles

Rao Tao, Tianfu Yang, Xian Li, Haofeng Gao, Shuangbin Liu, Yan Wang, Mingquan Yuan and Li Qiu

Applied Surface Science, 2023, 640, 158322
DOI: 10.1016/j.apsusc.2023.158322

The Role of the Nanoconfinement Effect in the Adsorption of Carbon Dioxide by Porous Liquids

Yongfang Li and Shiling Yuan

ACS Sustainable Chem. Eng., 2024, 12, 10455
DOI: 10.1021/acssuschemeng.4c02556

A Collective Variable for Controlling Occupation in Flexible Confined Volumes

Konstantin Stracke, Babak Farhadi Jahromi, Guido H. Clever and Rochus Schmid

J. Chem. Theory Comput., 2025, 21, 7212
DOI: 10.1021/acs.jctc.5c00341

Highly Selective Adsorption of Fluorinated Gases by Porous Organic Cages – Effects of Fluorinated Side‐Chains

Ke Tian, Wen‐Shan Zhang, Anjana Kunhumbadukka Othayoth, Moritz Philip Schuldt, Francesco Walenszus, Frank Rominger, Rasmus R. Schröder, Sven Michael Elbert and Michael Mastalerz

Advanced Materials, 2026, 38
DOI: 10.1002/adma.202516358

Anion Binding as a Strategy for the Synthesis of Porous Salts

Alexandra M. Antonio, Michael R. Dworzak, Kyle J. Korman, Glenn P. A. Yap and Eric D. Bloch

Chem. Mater., 2022, 34, 10823
DOI: 10.1021/acs.chemmater.2c01476

Inducing Social Self‐Sorting in Organic Cages To Tune The Shape of The Internal Cavity

Valentina Abet, Filip T. Szczypiński, Marc A. Little, Valentina Santolini, Christopher D. Jones, Robert Evans, Craig Wilson, Xiaofeng Wu, Michael F. Thorne, Michael J. Bennison, Peng Cui, Andrew I. Cooper, Kim E. Jelfs and Anna G. Slater

Angew Chem Int Ed, 2020, 59, 16755
DOI: 10.1002/anie.202007571