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cucurbit[5]uril
MICROPOROUS AND MESOPOROUS MATERIALS · 2022 · IF 5.876

Cucurbit[5]uril-based porous polymer material for removing organic micropollutants in water

Dan Yang,Xi nan Yang,Ming Liu,Li xia Chen,Qing Li,Hang Cong,Zhu Tao,Xin Xiao

Organic micropollutants pose a tremendous challenge to global water resources, for nonbiodegradable synthetic chemicals, especially. In this investigation, we loaded Cucurbit [5]uril on polymer BPEIH to prepare supramolecular polymer Q[5]@BPEIH with pore structure , which is used to adsorb and remove organic micropollutants in water. The experimental results show that the adsorbent can remove organic micropollutants from water quickly and with high loading, which is better effect than that of traditional activated carbon. In particular, the polymer is an excellent adsorbent for 2,7-dihydroxynaphthalene and Neutral Red pollutants. It also has classy adsorption properties for 1-naphthylamine, Amaranth, Metallic Yellow, 8-hydroxy-1,3,6-trisulfonic acid pyrene, Methyl Orange and Crystal Violet. This adsorbent can also adsorb I 2 . When the adsorption tends to equilibrium, the calculated adsorption rate is 87.2%. These outstanding adsorption effects show that this adsorbent can help to remove a variety of micropollutants in the process of wastewater treatment . More importantly, Q[5]@BPEIH that we designed and synthesized has the characteristics of low synthesis cost, simple synthesis and preparation process, high product yield, fast adsorption speed and strong removal ability. The admirable removal ability of pollutant proved the prospect of Q [5]@BPEIH for rapid sewage disposal.

研究领域: 环境科学 · 材料科学
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JOURNAL OF HAZARDOUS MATERIALS · 2025 · IF 11.3

Multisite synergistic interaction induced selective adsorption of CB5-Ti3C2T2 complex for strontium ion: A combined theoretical and experimental study

Sifan Li,Pengcheng Zhang,Yujuan Zhang,Kaikai Qiu,Lin Wang,Jianhui Lan,Yu Zhang,Xuwen Zhao,Chengzhen Miao,Weiqun Shi

In this work, we use a well-defined water-soluble macrocyclic molecule cucurbit[5]uril (CB5) to modify 2D Ti 3 C 2 T 2 MXene and assemble a novel high-performance adsorbent CB5-Ti 3 C 2 T 2 for Sr ion by density functional theory and experimental methods. The structural stabilities of two distinct types of CB5-Ti 3 C 2 T 2 (T = F, O and OH) complexes, i.e., CB5-Ti 3 C 2 T 2 (V) and CB5-Ti 3 C 2 T 2 (P) configurations are proved by binding energy and ab initio molecular dynamics (AIMD) simulations. Calculations of adsorption properties reveal that all the considered CB5-Ti 3 C 2 T 2 complexes can act as efficient adsorbents for Sr ion, among which CB5-Ti 3 C 2 O 2 complex possesses the best performance. The high affinity (the calculated adsorption energies < −7.6 eV) and selectivity of CB5-Ti 3 C 2 T 2 complex for Sr ion are attributed to the synergistic effect between CB5 molecule and Ti 3 C 2 T 2 MXene in the adsorption process, which arises from the multisite interactions of portal carbonyl groups of CB5 and surface functional groups of Ti 3 C 2 T 2 towards Sr. Finally, CB5-Ti 3 C 2 T 2 complex was successfully synthesized, and experimental results confirm its synergistic effect, good selectivity and high removal efficiency for Sr ions. In the treatment of strontium-containing wastewater with low concentrations, the distribution coefficient and decontamination factor of CB5-Ti 3 C 2 T 2 for Sr were determined to be as high as 2.88 × 10 5 mL/g and 144.9, respectively, and the separation factor ( SF Sr/Ca ) achieved a notable value of 67. 5. This work is expected to present a new strategy for the construction of high-performance MXene-based adsorbent for radionuclide elimination.

研究领域: 材料科学 · 环境科学
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RSC Advances · 2015 ·Vol. 5 ·期 43 ·33809-33813 · IF 3.84

Direct synthesis of cucurbit[5]uril-anchored polyacrylic acid microspheres and potential applications in selective sorption

Bo Xiao,Ying Fan,Rui-han Gao,Peng Chen,Jian-xin Zhang,Qing-di Zhou,Sai-Feng Xue,Qian-Jiang Zhu,Zhu Tao

A one-pot strategy was employed to synthesize a series of cucurbit[5]uril-anchored (Q[5]-anchored) polymers with high yields. The acrylic acid (AA) monomer, an ammonium persulfate salt (APS) initiator, and an oxidant were used in the polymerization. The Q[5]-anchored polyacrylic acid aggregates (Q[5]-PAA) have been characterized by 1H NMR, 13C NMR, 2D NMR, FTIR, TGA, GPC, TEM and SEM measurements. The experimental results confirm that PAA chains can be grafted to Q[5] in a controlled manner through an in situ radical polymerization approach. The effects of acrylic acid and Q[5] feed mass and APS concentration on the formation of polymer nanocapsules have been investigated. The experiments reveal that the feed mass of acrylic acid greatly influences the properties of Q[5]-PAA when the ratio of Q[5]/APS is fixed at 0.5. In particular, when APS/Q[5] = 46 and 72, vesicle structures are observed in the Q[5]-anchored polymers. Moreover, such polymer nanocapsules show selective absorption of some volatile compounds, particularly methanol.

研究领域: 材料科学 · 化学工程
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JOURNAL OF MOLECULAR STRUCTURE · 2026 · IF 4.7

1,5-NDS2−-directed synthesis of transition metal based cucurbit[5]uril supramolecular material for efficient NFX antibiotic detection

Jia-Yu Gu,Xin-Ran Chen,Fei Li,Wen-Ya Ding,Jia Cao,Wei-Wei Ge,Kai Chen

Three new coordination polymers based on cucurbit[5]uril (Q[5]) have been successfully synthesized. Their chemical formulas are {[Ni(H 2 O) 2 (Q[5])]·(1,5-NDS)}·14H 2 O ( 1 ), {[Co(H 2 O) 2 (Q[5])]·(1,5-NDS)}·15H 2 O ( 2 ), and {[Zn(H 2 O) 2 (Q[5])]·(1,5-NDS)}·10H 2 O ( 3 ). These polymers were obtained through the self-assembly of Q[5] with the corresponding transition metal salts in the presence of 1,5-naphthalenedisulfonic acid (1,5-H 2 NDS). Single- crystal X- ray diffraction analysis of these three coordination polymers has unveiled that the deprotonated 1,5-NDS²⁻ anions play a pivotal role in their self - assembly. Within these complexes, 1,5-NDS²⁻ anions facilitate the direct coordination of Ni 2+ /Co 2+ /Zn 2+ with the carbonyl oxygen atoms at the ports of Q[5], leading to the formation of one - dimensional (1D) supramolecular chains. Moreover, the non - covalent interactions among the 1D chains, along with those arising from the interplay between 1,5 - NDS²⁻ anions and the outer surface of Q[5] within the chains, generate a cooperative effect. This cooperative effect, where the combined action of these interactions is more powerful than the simple sum of their individual contributions, drives the further assembly of the 1D chains into a three-dimensional (3D) supramolecular framework featuring specific channel structures. Performance tests reveal that the Q[5]-Ni 2+ -based supramolecular assembly has high selective recognition for the antibiotic norfloxacin (NFX).

CAS / MDL: 70458-96-7
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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY · 2026 · IF 4.8

Chitosan-cucurbit[5]uril supramolecular gel-induced room-temperature phosphorescence: A doxorubicin-responsive RTP probe based on PRET mechanism

Jin-Xian Luo,Qing Fan,Qing Tang,Zhu Tao,Ying Huang

A supramolecular gel was constructed based on chitosan (CS) and cucurbit[5]uril (Q[5]) through self-assembly via hydrogen bonds and ion-dipole interactions. This gel possesses a dense three-dimensional network structure that provides a rigid microenvironment for encapsulating 6-bromo-2-methylquinoline (6-Br-2-MQ), successfully inducing room-temperature phosphorescence (RTP) emission at 511 nm with a phosphorescence lifetime of 1.537 ms and a quantum yield of 6.72%. Mechanistic studies indicate that the RTP emission originates from the synergistic effects of the rigid gel matrix, host-guest interactions at the Q[5], and the bromine-induced heavy-atom effect. The RTP system exhibits reversible temperature-responsive “on-off” behavior. Furthermore, based on a resonance energy transfer mechanism, the system serves as a phosphorescence probe for the detection of doxorubicin (DOX) in complex biological matrices with a detection limit of 0.65 μM, utilizing a PRET-based dynamic quenching mechanism. The probe shows good recovery (96.08–100.75%) and high anti-interference capability in artificial urine samples. This study provides a new strategy for developing RTP materials using naturally derived and biocompatible components, and demonstrates their potential as a simple, cost-effective platform for point-of-care biosensing applications in complex biological fluids.

CAS / MDL: 25316-40-9
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ANALYTICA CHIMICA ACTA · 2026 · IF 6.1

Molecular recognition-based affinity chromatography strategy for selective separation of cucurbit[5]uril and cucurbit[7]uril on hybrid monolithic materials

Xiaolong Shen,Ruizhi Tang,Shujuan Ma,Yangyang Bian,Zichao Tang,Junjie Ou

Background As a class of star macrocyclic molecules, cucurbit [n]urils (CB[n]) have gained extensive applications across multiple fields, including perovskite batteries, adsorption separation, room-temperature phosphorescence and biomolecular science and so on. The acquisition of high-purity CB[n] presents a significant challenge, especially for researchers without a dedicated background in organic synthesis and purification. The separation of individual CB[n] homologues is notoriously difficult, especially in the case of CB[7] and CB[5] due to their similar solubility and chemical properties. Therefore, development of specific and selective chromatographic methods is necessary for efficient separation of CB[n] homologues. Results In this work, three types of bipyridine-containing hybrid monolithic materials were designed and fabricated through “one-pot” approach, and then employed as an adsorption platform for the separation of CB[5] and CB[7] via supramolecular affinity chromatography strategy. This novel method offers efficient separation based on the differential molecular recognition mechanism of CB[5] and CB[7] toward the guest bipyridine moiety. Compared with the guests within the polymer chains, exposing the guests at the terminal ends of the adsorbent surface would benefit the specific adsorption capability of CB[7]. After optimizing the chromatographic conditions, the separation of CB[5] and CB[7] was successfully achieved on hybrid monolithic materials modified with 4,4′-bipyridine (Monolith-Ⅱ-Bp), enabling the isolation of 12 mg CB[5] and 10 mg CB[7] with high-purity from 40 mg of the crude product, corresponding to yields of 30.0% and 25.0%, respectively. Significance This work is the first to introduce hybrid monolithic materials and a separation strategy based on specific and reversible host-guest interactions, enabling simplified purification of CB[5] and CB[7] and accurate determination of their purity by MALDI-TOF MS. This approach is expected to serve as a reliable laboratory-scale method for the preparation of high-purity CB[n] homologues.

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