Article
Multidisciplinary Sciences
Yang Yang, Tanya K. Ronson, Zifei Lu, Jieyu Zheng, Nicolas Vanthuyne, Alexandre Martinez, Jonathan R. Nitschke
Summary: The study presents an artificial host-guest system where dynamic adaptation during guest binding alters both host conformation and guest dynamics. The self-assembled cage host reconfigures stereochemically to fit fullerene guests, thereby regulating guest dynamics and enabling determination of co-guest enantiomeric excess by NMR spectroscopy.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Laura M. Grimm, Jeffry Setiadi, Boryslav Tkachenko, Peter R. Schreiner, Michael K. Gilson, Frank Biedermann
Summary: The thermodynamic parameters of host-guest binding can be used to describe, understand, and predict molecular recognition events in aqueous systems. This study focuses on the contributions of water to binding by studying binding thermodynamics for a series of host-guest systems. It is found that the enthalpic driving forces for binding increase at higher temperatures, and heat capacity changes appear to be a general feature of host-guest complex formation in water.
Article
Chemistry, Multidisciplinary
Peter B. Crowley
Summary: This essay traces the origins of host-guest terminology in supramolecular chemistry, highlighting the German term "Einschlussverbindungen" and Cramer's use of "Wirt" and "Gast" as pivotal developments. It also emphasizes the continued interest in porous crystals.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Multidisciplinary Sciences
Valerio Rizzi, Luigi Bonati, Narjes Ansari, Michele Parrinello
Summary: Atomistic computer simulations are commonly used for calculating ligand binding free energies, and the accuracy depends on the quality of the force field and sampling thoroughness. In this study, machine learning was combined with physical intuition to develop a non-local and efficient water-describing collective variable, resulting in highly accurate binding free energies for host-guest systems. The role of water during the binding process was analyzed in detail, highlighting the importance of computational approaches in predicting water's role in host-ligand binding.
NATURE COMMUNICATIONS
(2021)
Article
Biochemistry & Molecular Biology
Wei Xiong, Xingyu Liu, Qianqian Qi, Huimin Ji, Fengbo Liu, Cheng Zhong, Simin Liu, Tian Tian, Xiang Zhou
Summary: This study demonstrates the development of supramolecular CRISPR-OFF switches using host-guest chemistry, which can effectively reduce excessive activity of CRISPR complexes in human cells. The work indicates the considerable potential of the supramolecular strategy for controlling and enhancing CRISPR systems.
NUCLEIC ACIDS RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Kuntrapakam Hema, Angela B. Grommet, Michal J. Bialek, Jinhua Wang, Laura Schneider, Christoph Drechsler, Oksana Yanshyna, Yael Diskin-Posner, Guido H. Clever, Rafal Klajn
Summary: The architecture of self-assembled host molecules can significantly impact the properties of the encapsulated guests. A Pd6L4 coordination host has been found to exhibit a Janus nature, transforming from a tube-shaped isomer to a cage-shaped host upon encapsulating tetrahedrally shaped guests. The reversible toggling between these vastly different isomers allows for control over the functional properties of coordination hosts.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Thomas A. Sobiech, Yulong Zhong, Daniel P. Miller, Jillian K. McGrath, Christina T. Scalzo, Morgan C. Redington, Eva Zurek, Bing Gong
Summary: The article presents experimental results on the binding of a rigid aromatic oligoamide macrocycle with DABCO-based cationic guests in highly polar DMF, demonstrating strong positive cooperativity. The unusually strong positive cooperativity mechanism is verified through various experimental methods. This host-guest system provides a tunable platform for studying molecular interactions and constructing stable supramolecular assemblies due to its exceptional positive cooperativity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Le-Ping Miao, Qi Qi, Xiang-Bin Han, Wen Zhang
Summary: This study presents three flexible host-guest molecular solvate crystals, each with a different guest molecule, showing high thermal stability and specific fluorescence properties. The high stability originates from the confinement and steric effects of the trapped guest solvent molecules in the crystal cavities, leading to unique fluorescence properties.
Article
Multidisciplinary Sciences
Shinnosuke Horiuchi, Takumi Yamaguchi, Jacopo Tessarolo, Hirotaka Tanaka, Eri Sakuda, Yasuhiro Arikawa, Eric Meggers, Guido H. Clever, Keisuke Umakoshi
Summary: In this study, we achieved symmetry-breaking self-assembly of a defined C-1-symmetric supramolecular structure by the synergistic effects of weak binding forces. The flexible capsule framework undergoes a large structural change upon guest binding, forming a distorted resorcin[4]arene hexameric capsule with an asymmetric cavity. The location of the chiral guest in the anisotropic environment leads to modulation of its Electric Dipole (ED) and Magnetic Dipole (MD) transition moments, resulting in increased emission quantum yield and circularly polarized luminescence.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Helen M. O'Connor, William J. Tipping, Julia Vallejo, Gary S. Nichol, Karen Faulds, Duncan Graham, Euan K. Brechin, Paul J. Lusby
Summary: The study of host-guest chemistry in coordination cages is of great importance for applications such as drug delivery, sensing, and catalysis. This paper demonstrates the use of various techniques to investigate the host-guest chemistry of a novel Pd2L4 cage, which has high affinity for selectively binding dicyanoarene guests through hydrogen bonding and other weak interactions. Additionally, Raman spectroscopy is shown to be a valuable tool for analyzing coordination cages, using alkyne and nitrile reporter functional groups.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Organic
Xiaodong Zhang, Tao Sun, Xin-Long Ni
Summary: This study explores the host-guest interactions of cucurbit[8]uril with pi-conjugated bispyridinium guests in aqueous solution, resulting in a series of dynamic assemblies distinguishable by naked-eye observation and quantitative fluorescence emissions. The dissociation and control of host-stabilized charge-transfer interactions by N-substituted alkyl chains on cationic guests led to the discovery of new possible binding modes for the cucurbit[8]uril host.
ORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Biochemical Research Methods
Yun Zhang, Yakun Yi, Ziyi Li, Ke Zhou, Lei Liu, Hai-Chen Wu
Summary: In this paper, an alternative method for peptide sequencing based on enzymatic cleavage and host-guest interaction-assisted nanopore sensing is proposed. Through current blockage during peptide translocation, the identity and sequence of amino acids can be determined. This study demonstrates the potential of nanopore-based protein sequencing.
Article
Chemistry, Organic
Yanfeng He, Caihong Mao, Mingwan Duan, Linmeng Fan, Xiaohan Wang, Yan Cai, Min Du, Minli Hu, Ping Hu, Qiuyu Cheng, Xiaobo Hu
Summary: Researchers have reported a new host molecule that can regulate the aggregation behavior and fluorescence properties of PDI dyes in solid state through host-guest isolation. The host molecule, 1, demonstrates the ability to recognize different PDI dyes and significantly enhance their fluorescence.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Polymer Science
Diego O. Sanchez Ramirez, Cinzia Tonetti, Iriczalli Cruz-Maya, Vincenzo Guarino, Roberta Peila, Riccardo A. Carletto, Alessio Varesano, Claudia Vineis
Summary: This study investigates the effects of pH on the properties of cysteine-S-sulfonated keratin, including secondary structures, thermostability, biocidal activity, and cell viability. The results show that changes in pH affect the structure and functionality of the keratin, suggesting its potential for biomedical applications.
EUROPEAN POLYMER JOURNAL
(2022)
Article
Medicine, Research & Experimental
Keith M. Cheah, Joomyung V. Jun, K. Dane Wittrup, Ronald T. Raines
Summary: The carboxyl groups of a protein can be esterified with a diazo compound, allowing the protein to enter the cytosol of a mammalian cell. The resulting esterified protein has low solubility, which can be overcome by using beta-cyclodextrin as a solubilizing agent. The combination of L-arginine and sucrose with beta-cyclodextrin enables the nearly quantitative recovery of the esterified protein. Excipients can therefore be used to overcome the insolubility of esterified proteins.
MOLECULAR PHARMACEUTICS
(2022)