Article
Chemistry, Medicinal
Zhaoxi Sun, Zhe Huai, Qiaole He, Zhirong Liu
Summary: Describing, understanding, and designing complex interaction networks within macromolecular systems remain challenging in modern chemical research. Host-guest systems, despite their relative simplicity in both the structural feature and interaction patterns, still pose problems in theoretical modeling. The barrel-shaped supramolecular container cucurbit[8]uril (CB8) shows promising functionalities in various areas.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Article
Chemistry, Multidisciplinary
Pim J. de Vink, Tim van der Hek, Luc Brunsveld
Summary: The research focuses on the light-induced release of CB[8] and activation of caspase-9, offering a new approach for tuning and applying switchable cucurbiturils. The design of a bivalent cage with high affinity to CB[8] enables affinity switching, matching the concentration required for activating caspase-9.
Article
Biochemical Research Methods
Carlos Redondo-Gomez, Soraya Padilla-Lopategui, Alvaro Mata, Helena S. Azevedo
Summary: The host-guest-mediated PA hydrogelation method relies on the formation of a host-guest homoternary complex with CB[8] and aromatic amino-acid-bearing PA nanofibers, resulting in hierarchical morphologies and increased stiffness compared to ion-based equivalents. This alternative cross-linking method can upgrade the design of PA materials and extend their biomedical applications, while maintaining similar biocompatibilities between the new and conventional hydrogels.
BIOCONJUGATE CHEMISTRY
(2022)
Article
Chemistry, Physical
Valya Nikolova, Anita Velinova, Stefan Dobrev, Nikoleta Kircheva, Silvia Angelova, Todor Dudev
Summary: The interactions between neutral/protonated mitoxantrone and cucurbit[n]uril (n = 7, 8) host systems were analyzed using density functional theory calculations. It was found that stable inclusion complexes can form between doubly and quadruply charged mitoxantrone molecules and CB[7] or CB[8] in a water solvent. Both CB[7] and CB[8] show properties that are useful for drug delivery.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Multidisciplinary
Shubhra Kanti Bhaumik, Sourav Kumar Panda, Supratim Banerjee
Summary: Host-guest assemblies of halo-phenyl pyridine derivatives and cucurbit[8]uril (CB[8]) showed pH-responsive room temperature phosphorescence in aqueous media. Additionally, they acted as efficient light-harvesting systems, demonstrating triplet-singlet energy transfer to various acceptor dyes.
CHEMICAL COMMUNICATIONS
(2023)
Article
Biochemical Research Methods
Valya Nikolova, Stefan Dobrev, Nikoleta Kircheva, Victoria Yordanova, Todor Dudev, Silvia Angelova
Summary: Cucurbiturils are beneficial excipients in eye drop formulations due to their ability to improve drug solubility, absorption, stability, and reduce irritation. Understanding the interactions between the host-guest molecules (CBs and antimuscarinic drugs) can enhance current treatments and develop new therapies for eye conditions. This study focuses on factors such as guest position, drug ionization, medium dielectric constant, and pore size, providing atomic-level insights into the recognition mechanism between CBs and the drugs.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2023)
Article
Chemistry, Multidisciplinary
Miriam Colaco, Patricia Maximo, A. Jorge Parola, Nuno Basilio
Summary: The study focuses on the kinetics of a water-soluble host-guest system based on cucurbit[8]uril and two DTE photoswitches, demonstrating a method to control the binding kinetics in supramolecular systems using external stimuli. By modifying the structure of the DTE guest molecule, it is possible to significantly slow down the formation/dissociation rates of pseudorotaxane structures, leading to the emergence of a competitive metastable product with important impact on the overall binding kinetics. Additionally, the dissociation kinetics of the host-guest system can be controlled by approximately 100-fold by switching between closed and open DTE isomers.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Biochemistry & Molecular Biology
Zhaoxi Sun, Qiaole He, Zhihao Gong, Payam Kalhor, Zhe Huai, Zhirong Liu
Summary: Atomic-level understanding of host-guest interactions is crucial in supramolecular chemistry. The remarkable guest binding behavior of Cucurbiturils makes them promising drug carriers. Computational investigations and comparisons of charge models and force fields provide guidelines for theoretical modeling of host-guest binding.
Article
Nanoscience & Nanotechnology
Wei Zhang, Yang Luo, Chun Liu, Mao-Xia Yang, Jun-Xian Gou, Ying Huang, Xin-Long Ni, Zhu Tao, Xin Xiao
Summary: In this study, cucurbit[8]uril was used to specifically recognize synthetic bromophenyl pyridine derivatives and construct a stable charge-transfer dimer. The assemblies exhibited specific recognition and detection properties for dodine on fluorescence and phosphorescence spectra. The solid films prepared by introducing carboxymethylcellulose sodium greatly enhanced the room-temperature phosphorescence performance and enabled visualization and quantitative testing. The material was further applied to the development of portable indicator papers for rapid and visualized detection of dodine in daily life, expanding the potential applications of cucurbit[n]uril-based room-temperature phosphorescence materials.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Nanoscience & Nanotechnology
Wei Zhang, Yang Luo, Chun Liu, Mao-Xia Yang, Jun-Xian Gou, Ying Huang, Xin-Long Ni, Zhu Tao, Xin Xiao
Summary: In this study, macrocycles were used to enhance the intersystem crossing of pure organic room-temperature phosphorescence. By specifically recognizing synthetic compounds, a stable charge-transfer dimer was constructed and solid films were prepared to increase RTP performance for the detection of dodine. The material was further applied to portable indicator papers for rapid and visualized detection of dodine in daily life.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Organic
Wen-Chang Peng, Hui Wang, Dan-Wei Zhang, Zhan-Ting Li
Summary: This study investigates the conformations and aggregation behavior of linear viologen radical cation-incorporated molecules in water. The results show that these molecules not only fold to form stable dimers in water, but also further aggregate to give rise to nanoscale particles.
CHINESE JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Organic
Lin Zhang, Jun Zheng, Guangyan Luo, Xiaoyue Li, Yunqian Zhang, Zhu Tao, Qianjun Zhang
Summary: The interaction between cucurbit[8]uril and chioramphenicol was studied, showing that cucurbit[8]uril enhanced the antibacterial activity of chioramphenicol against Escherichia coli by forming an inclusion complex with slow-release effect.
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Wei Zhang, Yang Luo, Jie Zhao, Chao Zhang, Xin-Long Ni, Zhu Tao, Xin Xiao
Summary: In this study, a linear supramolecular polymer with controllable features was constructed based on twisted cucurbit[14]uril and cucurbit[8]uril using an effective self-sorting strategy. By inserting and π-π stacking, the polymerization and depolymerization of the supramolecular polymer were achieved. This strategy provides a new approach for the design of supramolecular polymer materials and the application of twisted cucurbit[14]uril in supramolecular chemistry.
CHINESE CHEMICAL LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Osama M. Abuhasan, Musa I. El-Barghouthi, Khaled Bodoor, Abdel Monem M. Rawashdeh, Khaleel I. Assaf
Summary: In this study, MD simulations and TD-DFT calculations were used to investigate the formation and properties of binary and ternary complexes involving CB8 and three tryptophan-containing tripeptides, as well as heteroternary complexes with the addition of MV. The complexes were found to be stable in water and exhibited encapsulation of the indole moiety. Analysis of the MD trajectories revealed stacking interactions between the indole rings within the CB8 cavity. The computed UV-Visible spectra showed new bands related to W-MV charge transfer complexes.
ARABIAN JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Xiaona Yang, Jie Li, Song Jiang, Puhui Xie, Guoxing Liu, Xin Zheng, Zhanqi Cao, Xianfu Zheng, Dapeng Zou, Yangjie Wu, Wankai An
Summary: The study discovered a method to form a stable inclusion complex in aqueous solution, and reversibly lock it through light irradiation. This provides a feasible strategy for fabricating a photo-driven supramolecular machine resembling a lock.
Article
Business, Finance
Jiancheng Shen, John Griffith, Mohammad Najand, Licheng Sun
Summary: We examine the predictability of market emotions (fear, gloom, joy, optimism) on returns of S&P 500 Index and 10-year Treasury notes futures using VAR and TGARCH models. Our VAR models suggest that one of the four emotions (fear) has predictive power for stock index futures returns. Additionally, we find that joy and optimism measures of emotions influence Treasury futures market returns. Further analysis using a TGARCH model with an emotional sentiment measure (fear) reveals that fear significantly affects market returns and conditional volatility of futures markets.
JOURNAL OF BEHAVIORAL FINANCE
(2023)
Article
Chemistry, Multidisciplinary
Chen Wang, Panlong Zhai, Mingyue Xia, Wei Liu, Junfeng Gao, Licheng Sun, Jungang Hou
Summary: This study reports the reversible reconstruction behavior accompanied by copper dynamic evolution, leading to the formation of high-valent cobalt species in active sites during water-alkali electrolysis. The crucial roles of electronic structure evolution and oxygen-vacancy-site mechanism in catalyst activity are revealed through experimental and theoretical investigations.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Zhaozhong Fan, Ruichun Luo, Yanxue Zhang, Bo Zhang, Panlong Zhai, Yanting Zhang, Chen Wang, Junfeng Gao, Wu Zhou, Licheng Sun, Jungang Hou
Summary: Researchers have developed an indium-nickel dual-atom catalyst that exhibits high CO selectivity and achieves a high industrial CO partial current density. The synergistic effect of the dual-sites and oxygen bridge in the catalyst reduces the reaction barrier for *COOH formation and suppresses the undesired hydrogen evolution reaction.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Teng Shao, Yuan Chang, Zhuwei Li, Yurou Song, Dingfeng Jin, Junfeng Gao, Licheng Sun, Jungang Hou
Summary: Artificial photosynthesis is a promising solution for the efficient production of hydrogen peroxide. A chemically bonded and plasmonic Z-scheme junction of WO and CNs was developed for high-performance artificial photosynthesis. This Z-scheme catalyst exhibits a high H2O2 generation rate, even under broad-spectrum response irradiation.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Nanoscience & Nanotechnology
Sebastian Svanstrom, Alberto Garcia Fernandez, Tamara Sloboda, T. Jesper Jacobsson, Fuguo Zhang, Fredrik O. L. Johansson, Danilo Kuhn, Denis Ceolin, Jean -Pascal Rueff, Licheng Sun, Kerttu Aitola, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the band alignment and interfacial electric field variations of a fully functional lead halide perovskite solar cell structure under operating conditions were measured directly using hard X-ray photoelectron spectroscopy (HAXPES). The results showed that 70% of the photovoltage was generated at the back contact, with equal contributions from the hole transport material/gold interface and the perovskite/hole transport material interface.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Tianqi Liu, Shaoqi Zhan, Nannan Shen, Linqin Wang, Zoltan Szabo, Hao Yang, Marten S. G. Ahlquist, Licheng Sun
Summary: Inspired by biological systems, a Ru-based molecular water oxidation catalyst was designed to mimic enzymatic framework, utilizing a configurationally labile ligand that acts as both an electron donor and a proton acceptor. Through various analysis and calculations, it was demonstrated that the self-adaptive ligand enables fast catalytic kinetics with a turnover frequency comparable to natural photosynthesis.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Yu Guo, Johannes Messinger, Lars Kloo, Licheng Sun
Summary: O2 formation in photosystem II (PSII) is still not well understood, but the prevailing theoretical model involves a Mn(IV)-oxyl unit in an open-cubane Mn4CaO6 cluster. However, it has been proposed that the S3 state of higher plants lacks an extra ligand, and instead features a penta-coordinate dangler Mn(V)=oxo covalently linked to a closed-cubane Mn3CaO4 cluster. In this study, the researchers explored various possible pathways and found that the nucleophilic oxo-oxo coupling (NOOC) between Mn(V)=oxo and mu 3-oxo is the only feasible mechanism. They described an energetically feasible process starting from the S4 state, involving the formation of peroxide and superoxide, followed by O2 release and a second water insertion.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Xiansheng Li, Mahdi Haghshenas, Linqin Wang, Jing Huang, Esmaeil Sheibani, Shichen Yuan, Xin Luo, Xuehan Chen, Changting Wei, Hengyang Xiang, Glib Baryshnikov, Licheng Sun, Haibo Zeng, Bo Xu
Summary: In this study, we designed a multifunctional small-molecule hole-transporting material (HTM) called X10 for use in perovskite quantum dot light-emitting diodes (Pe-QLEDs). X10 exhibited high hole mobility, good film-forming ability, strong solvent resistance, and defect passivation effect. Pe-QLEDs using X10 as the HTM achieved a promising external quantum efficiency (EQE) of 20.18%, which was 7-fold higher than that of reference HTM-TCTA-based ones (EQE approximately 2.88%). This is the first case where a small-molecule HTM has shown a high EQE over 20% in Pe-QLEDs. Our work provides important guidance for the rational design of multifunctional small-molecule HTMs for high-performance Pe-QLEDs.
ACS ENERGY LETTERS
(2023)
Article
Business, Finance
Zhaobo Zhu, Licheng Sun, Min Chen
Summary: When stocks are trading near their 52-week high, investors have low expectations for future returns. However, for firms with strong fundamentals, investors' expectations are too low, indicating the psychological anchor of the 52-week high. A trading strategy based on fundamental strength and the 52-week high outperforms the unconditional strategy by significantly increasing the average return. Interestingly, this effect is most evident when investor sentiment is high, but not observed among sophisticated institutions and short sellers.
REVIEW OF QUANTITATIVE FINANCE AND ACCOUNTING
(2023)
Article
Chemistry, Multidisciplinary
Rongmei Zhao, Peng Wang, Linqing Wang, Yuanju Zhao, Chenghao Ge, Licheng Sun, Lin Xie, Yong Hua
Summary: This study introduces an innovative approach using an in situ combined dual-hole transport layer with TIPS-Pn to improve the performance of perovskite solar cells (PSCs). The results show that this approach effectively extracts and transports hole carriers, resulting in a significant increase in the average power conversion efficiency of PSCs. Additionally, it improves the stability of PSCs.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Dexin Chen, Yunxuan Ding, Xing Cao, Linqin Wang, Husileng Lee, Gaoxin Lin, Wenlong Li, Guoheng Ding, Licheng Sun
Summary: In this study, a bimetallic Ni-Cu electrocatalyst was developed to enhance the oxidation of 5-hydroxymethylfurfural (HMF) by passivating the oxygen evolution reaction (OER) process.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Zhuofeng Li, Linqin Wang, Tao Wang, Licheng Sun, Wenxing Yang
Summary: Developing alternative electrolysis techniques is crucial for advancing electrocatalysis. Recent studies have shown that pulse electrochemical CO2 reduction reaction (CO2RR) can improve the selectivity of CO2RR. This study reveals that pulse electrolysis improves the C(2+) selectivity of CO2RR through dynamic controls of the surface CuxO/Cu composition.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Yilong Zhao, Yunxuan Ding, Wenlong Li, Chang Liu, Yingzheng Li, Ziqi Zhao, Yu Shan, Fei Li, Licheng Sun, Fusheng Li
Summary: Electrocatalytic urea synthesis is a promising alternative to traditional energy-intensive urea synthesis. By stabilizing intermediates of *NO2 and *CO, a CuWO4 catalyst achieves efficient co-reduction of CO2 and NO3- to urea via C-N coupling.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Yue Zhao, Lei Ran, Rui Chen, Yurou Song, Junfeng Gao, Licheng Sun, Jungang Hou
Summary: This study presents an integrated photoanode by grafting covalent triazine frameworks as conjugated molecules on the surface of ferroelectric BaTiO3-x nanorod array, and constructing oxyhydroxide oxygen evolution cocatalyst (OEC). The integrated OEC/CTF/BTO array achieves high photocurrent density and low onset potential, while also exhibiting outstanding stability. The enhanced PEC activity is attributed to the integration of CTF and OEC, which enhances light-harvesting capability, boosts charge carrier mediation, and promotes water oxidation kinetics.
Article
Green & Sustainable Science & Technology
Guoheng Ding, Husileng Lee, Zhiheng Li, Jian Du, Linqin Wang, Dexin Chen, Licheng Sun
Summary: Ni2Fe8/Ni3S2/NF catalyst is fabricated on nickel foam by a simple one-pot hydrothermal reaction, exhibiting high current densities at low overpotential and outperforming noble metal-based catalysts. Coupled with Ni4Mo/MoO2/NF, the AEM-WE device shows high performance and durability, making the catalyst highly efficient and robust.
ADVANCED ENERGY AND SUSTAINABILITY RESEARCH
(2023)
