Article
Chemistry, Multidisciplinary
Hyejin Kwon, Brian S. Newell, Carson J. Bruns
Summary: Cycloparaphenylene nanocarbons (CPPs) are organic semiconductors with controllable structures and unique optoelectronic properties. In this study, CH-pi interactions were found to enable the inclusion of redox-active metallocene guests in CPPs, enhancing stability through additional supramolecular forces. This finding is significant for the design of bespoke nanoelectronics and artificial molecular machines.
Article
Chemistry, Inorganic & Nuclear
Weibin Yu, Feng-Yi Qiu, Shi-Ting Luo, Hua-Tian Shi, Guozan Yuan, Xianwen Wei
Summary: Researchers have successfully constructed a triply interlocked [2]catenane with confirmed solid-state structure and solution properties, showing potential applications in drug delivery systems.
INORGANIC CHEMISTRY FRONTIERS
(2021)
Review
Nanoscience & Nanotechnology
Yi Li, Jihong Yu
Summary: New zeolitic materials have shown high performance in emerging applications across diverse areas. This Review focuses on the advances in zeolite applications, including the catalytic production of hydrocarbons and oxygenates from non-petrochemical feedstocks, the efficient separation of hydrocarbon mixtures that are otherwise challenging, and host-guest assemblies with unprecedented physical properties.
NATURE REVIEWS MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Maura Malinska
Summary: Crystallization conditions were screened for producing crystal structures of p-tert-butylcalix[6]arene (TBC6) with different conformations, revealing molecular recognition and self-assembly between TBC6 and pyridine leading to various complexes. The crystal structure can be tuned by changing temperature and supersaturation conditions, with the ability to recrystallize as new complexes under thermodynamic conditions. Energy framework analysis was used to study the hierarchies of various interactional motifs and their topologies in the TBC6 complexes.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Organic
Francesco Rispoli, Emanuele Spatola, Daniele Del Giudice, Roberta Cacciapaglia, Alessandro Casnati, Laura Baldini, Stefano Di Stefano
Summary: The interaction between a specific receptor and a chemical fuel can drive the host-guest interaction, leading to the host releasing and reuptaking the guest, with the process being able to be repeated multiple times.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Tobias Dwyer, Timothy C. Moore, Joshua A. Anderson, Sharon C. Glotzer
Summary: Entropy compartmentalization provides new self-assembly routes to colloidal host-guest structures. By modifying the shape of guest particles, a variety of crystal structures and pore motifs can be formed when mixed with star-shaped host particles. The assembly is driven by entropy compartmentalization, with different contributions from the host and guest particles to the free energy of the system.
Article
Chemistry, Physical
Susama Chakraborty, Ankana Karmakar, Suraj Mandal, Tamal Goswami, Pranab Ghosh, Amitava Mandal
Summary: The present study focuses on the supramolecular host-guest complexation of OCASP into b-CD, resulting in a thermoresponsive nanotubular architecture. The inclusion complex was characterized using various techniques, and the formation of nanotubes was observed. The reversible switching of assembly and disassembly of the system was demonstrated by temperature changes. Hydrophobic interactions were identified as the main driving force behind the hierarchical structure formation, as confirmed by control experiments. Molecular dynamics simulations further elucidated the stepwise formation process of this hierarchy. This stimuli-responsive system has the potential to tailor its physical properties and contribute to the fabrication of novel smart materials.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Tobias Dwyer, Timothy C. Moore, Joshua A. Anderson, Sharon C. Glotzer
Summary: Entropy compartmentalization provides a new self-assembly route for colloidal host-guest (HG) structures. Leveraging host particle shape has been recently proposed and demonstrated for the assembly of HG structures. However, the influence of guest particles on the porous network structure of host particles has not been explored.
Article
Chemistry, Multidisciplinary
Sangmin Lee, Thi Vo, Sharon C. Glotzer
Summary: In this study, hard truncated triangular bipyramids self-assemble into seven different colloidal clathrate crystals, consisting of cages that are either empty or occupied by guest particles. Monte Carlo simulations reveal that the crystallization occurs through the compartmentalization of entropy between low- and high-entropy subsystems for the host and guest particles. The researchers also use entropic bonding theory to design host-guest colloidal clathrates with explicit interparticle attraction for experimental realization.
Article
Chemistry, Physical
Binh Minh Nguyen, Markus Schmid, Johann Kirsch, Albin Cakaj, Wolfgang Bruetting
Summary: The orientation mechanism of nonpolar dyes in various conditions is studied. It is found that the shape anisotropy and temperature ratio are key factors controlling dye alignment. It is also noted that caution must be exercised when using mixed cohost systems with different glass transition temperatures, as the emitter orientation may not follow the effective glass transition temperature of the mixed host.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Medicinal
Xiao Liu, Lei Zheng, Chu Qin, Yang Li, John Z. H. Zhang, Zhaoxi Sun
Summary: End-point free-energy methods are widely recognized as a tool with certain screening power in pharmaceutical research. However, there is currently a lack of large-scale benchmarks in host-guest complexes to support the screening power of these methods. In this study, a large dataset of 154 host-guest pairs is constructed, and extensive end-point sampling is performed using various free-energy techniques to estimate the free energy.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Physical
Shanchao Tan, Hongyu Shi, Xin Du, Kunpeng Wang, Haijun Xu, Junhua Wan, Ke Deng, Qingdao Zeng, Yuhong Liu
Summary: Controlling friction by the electric field is a promising approach to improve the tribological performance. This study demonstrates the effective control of assembly structure and microscale superlubricity of a host-guest assembly using the electric field. The assembly behaviors of fullerene derivatives at different probe biases are characterized using STM and DFT techniques, and the controllability of the friction coefficient is confirmed by AFM. The insights gained from this research not only contribute to the understanding of the host-guest assembly mechanism controlled by the electric field, but also promote the application of fullerene in MEMS.
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
Engineering, Environmental
Yongjiang Yuan, Xinming Du, Zhiyan Sui, Song Wang, Tianming Dong, Xiaoyu Chi, Zhe Wang
Summary: This paper fabricates anion exchange membranes (AEM) with a macrocyclic host-guest structure and dynamic self-protection, which exhibit high ionic conductivity and alkali stability. The membranes achieve a hydroxide conductivity of 114 mS cm-1 at 80 degrees C and maintain 93% of their pre-test performance even after immersion in 5 M KOH at 80 degrees C for 1000 h. The highest peak power density of 406 mW cm-2 at 60 degrees C is achieved after the assembly of a single cell. Therefore, the new design using a long chain structure containing both host-guest as side chains is a promising direction for improving AEM performance.
CHEMICAL ENGINEERING JOURNAL
(2023)
Review
Chemistry, Multidisciplinary
Qian Wu, Qian Lei, Hai-Chen Zhong, Tian-Bing Ren, Yao Sun, Xiao-Bing Zhang, Lin Yuan
Summary: Recently, the use of supramolecular chemistry to construct fluorescent systems based on macrocyclic hosts has gained significant attention. These systems have proven to be effective in overcoming the limitations of imaging and diagnostic reagents, and have been successful in enhancing their performances. This paper provides a summary of the recent advances in supramolecular fluorescent systems, their application in bioimaging and therapy, as well as the challenges and prospects in developing novel systems.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
De-Hui Tuo, Yu-Fei Ao, Qi-Qiang Wang, De-Xian Wang
Summary: A triangular prism cage 2 with efficient binding affinity to a series of polyhedral anions has been designed and synthesized. The crystal structures of 2 superset of X- complexes demonstrate multiple and cooperative anion-pi interactions play a key role in strong complexation. Cage 2 provides a useful tool for probing anion-pi binding motifs that were previously only predicted in theoretical calculations.
Article
Chemistry, Multidisciplinary
Na Luo, Yu-Fei Ao, De-Xian Wang, Qi-Qiang Wang
Summary: The article briefly reviews the emergence and development of anion-pi interactions, emphasizing the concept of anion-pi catalysis and key progress in this area. The content is organized based on the role of anion-pi interactions in catalysis, from ground-state and transition-state stabilization to cooperative pi-face activation. A concluding remark and outlook on future development are also provided.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Organic
Huan Zhang, Yu-Fei Ao, De-Xian Wang, Qi-Qiang Wang
Summary: A series of homo-chiral and heterochiral macrocycles and cages were synthesized using simple methods, showing intriguing chiral cavities and assembly properties. The (S,S,S)-Cage, in particular, exhibited a unique double-faced propeller-like structure with multiple chiral pockets.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Organic
Hao Guo, Yu-Fei Ao, De-Xian Wang, Qi-Qiang Wang
Summary: A series of chiral macrocycles were synthesized by fragment-coupling approach and demonstrated excellent activity and stereocontrol in catalytic reactions. The rigid macrocyclic framework and the cooperation between the thiourea and tertiary amine sites were found to be crucial for achieving efficient activation and stereocontrol.
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Qi-Ping Hu, Hao Zhou, Teng-Yu Huang, Yu-Fei Ao, De-Xian Wang, Qi-Qiang Wang
Summary: An adaptive, achiral trithiourea molecular cage and its conformational and stereodynamics toward tricarboxylate anion binding are reported. The cage exhibits a flexible conformation and strongly binds 1,3,5-benzene tricarboxylate, forming a sandwich-like inclusion complex. By incorporating chiral arms on the guest, a gear-like complex with a specific helical sense is produced.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
De-Hui Tuo, Shuxuan Tang, Pengfei Jin, Jikun Li, Xinping Wang, Chuang Zhang, Yu-Fei Ao, Qi-Qiang Wang, De-Xian Wang
Summary: This article presents the synthesis, crystal structures, and physical properties of novel benzene triimide (BTI) radical anions, focusing on the relationship between molecular structure, spin-spin intermolecular interactions, and physical properties in the crystalline state. The radical species exhibited diverse intermolecular stackings in the crystalline state, resulting in different spin-spin interactions and various physical properties. The structure-property relationship was studied in terms of magnetism and conductivity, showing that the radical pi-pimers and pi-stacks with effective charge transport exhibited paramagnetic property and conductivity at room temperature.
Editorial Material
Chemistry, Organic
Pablo Ballester, Qi-Qiang Wang, Carmine Gaeta
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Wei Wang, Shuo Tong, Qi-Qiang Wang, Yu-Fei Ao, De-Xian Wang, Jieping Zhu
Summary: This study presents the design, synthesis and luminescent properties of boron difluoro complexes of 2-aryl-5-alkylamino-4-alkylaminocarbonylthiazoles. These dyes exhibit large Stokes shifts and significant solid-state emission, and some compounds show dual fluorescence and room-temperature phosphorescence emission properties. These properties may be attributed to factors such as intramolecular H-bonds, π-π stacking and enhanced spin-orbit coupling.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Hao Zhou, Yu-Fei Ao, De-Xian Wang, Qi-Qiang Wang
Summary: A new type of inherently chiral cage structure was obtained through hierarchical desymmetrization, showing rich structural diversity. The enantiopure cages were successfully separated using chiral chromatography and convenient post-synthetic transformations were achieved with retention of enantiomeric purity. The chiral cages consist of three individual chiral cavities, allowing for regio- and enantioselective anion-K binding.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Jun Zhu, Xu-Dong Wang, Yu-Fei Ao, Qi-Qiang Wang, De-Xian Wang
Summary: Towards unexplored intermolecular n ->pi* interactions, this study presents the synthesis, structure, self-assembly, and function of a multicarbonyl-containing macrocycle calix[2]arene[2]barbiturate 1. X-ray single crystal diffraction reveals the presence of Cl... C=O interactions in the CH2Cl2 subset of 1 host-guest complex and multiple intermolecular C=O...C=O interactions between molecules 1 in the crystalline state. The attractive driving force of intermolecular C=O... C=O interactions leads to the unprecedented self-assembly of nanotubes with a diameter of approximately 1.4 nm, with an inner surface engineered by aromatic rings. SEM and TEM images show the temperature-dependent morphologies of the self-assembly of 1, with spheres observed at 25 ℃ and rods observed at 0 ℃, respectively. XRD analysis confirms consistent hexagonal patterns in the self-assembly and single crystal lattice, indicating that the nanotubes driven by C=O... C=O interactions constitute the basic structural architecture of both aggregates. The nanoscopic tubes formed in the rodlike single crystal enable the separation of moving dyes, as preliminary investigated by single-crystal chromatography and crystal-packed column chromatography.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Shi-Xin Nie, Teng-Yu Huang, Hao Guo, Li-Xia Wang, Jie Cui, Jun-Feng Xiang, Yu-Fei Ao, De-Xian Wang, Qi-Qiang Wang
Summary: In this study, it was found that xenon can selectively induce a heterochiral assembly as its preferred host even in homochiral structures, with higher binding affinity. Experimental approach and fitting model were developed to obtain binding constants associated with invisible assembly species, which have significant implications for investigating xenon binding.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Materials Science, Multidisciplinary
Shi-Xin Nie, Teng-Yu Huang, Jun-Feng Xiang, Yu-Fei Ao, De-Xian Wang, Qi-Qiang Wang
Summary: This study reports the synthesis of a homemade mesomeric bisurea-bisthiourea macrocycle and its self-assembly behavior to form xenon-included capsules. Compared to racemic counterparts, the single mesomeric macrocycle forms more comprehensive dimerization assemblies. In the presence of xenon, the assembly diversity is further enhanced, leading to the formation of an additional pair of enantiomeric heterochiral assemblies with a sealed, adaptive cavity for accommodating xenon.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
De-Hui Tuo, Yu-Fei Ao, Qi-Qiang Wang, De-Xian Wang
Summary: A series of chiral BTI radical anions with different chiral substituents were prepared by chemical reduction, and their crystalline state packing and helix assemblies were studied using X-ray crystallography. The powder ESR spectra revealed different spin states and spin-spin interactions for the radicals with different chiral substituents. UV-Vis-NIR spectra and electronic circular dichroism (ECD) were used to study the interplay between the unpaired electron spin and chiral substituents.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Wen-Long Huang, Xu-Dong Wang, Yu-Fei Ao, Qi-Qiang Wang, De-Xian Wang
Summary: An artificial molecular hourglass with weak cation selectivity was designed by utilizing an arm modification strategy and tethering electron-rich arms on a central macrocyclic scaffold.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
De-Hui Tuo, Shuxuan Tang, Pengfei Jin, Jikun Li, Xinping Wang, Chuang Zhang, Yu-Fei Ao, Qi-Qiang Wang, De-Xian Wang
Summary: In this study, we presented the efficient syntheses, crystal structures, and physical properties of a series of novel benzene triimide (BTI) radical anions, and emphasized the relationship between molecular structure with spin-spin intermolecular interactions and physical properties in the crystalline state.
