64. Ultrahigh-Affinity Molecular Recognition in Water and Biomedical
Applications
Cheng, F.-Y.#; Fu, R.#; Gong, Z.-H.; Li, C.- J.*; Guo, D.-S.*; Cai, K.*
Angew. Chem. Int. Ed., 2025, Accepted
DOI:
63. Tubular chiral molecular carbon imides
Wang, R.-G.; Jing, L.-B.; Deng, J.-Y.; Han, H.; Fu, R.; Chen, F.- Y.; Guo, D.-S.; Cai, K.*
CCS Chemistry 2025 Accepted
DOI: 10.31635/ccschem.025.202505572
62. Chiral covalent organic cages: Construction and chiral functions
Guo, S.-D.; Jiao, T.-Y.; Guo, D.-S*; Cai, K.*
Smart Mol. 2025, e20240038.
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61. Controllable ultrahigh-affinity molecular recognition
Chen, F.-Y.; Zhang, H.-F.; Cai, K.*; Guo, D.-S*.
Sup. Mat., 2025, 4, 100101
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60. High-affinity 1: 2 recognition based on naphthyl-azocalix [4] arene and its application as a cleavable noncovalent connector in constructing responsive supramolecular polymeric materials
Yao, S.-Y.; Ying, A.-K.; Geng, W.-C.; Chen, F.-Y.; Hu, X.-Y.; Cai, K.*; Guo, D.-S*.
Chem. Sci., 2025, Advance Article
DOI: 10.1039/D5SC00075K
59. A sulfone-functionalized molecular triangle as a strong anion receptor driven by anion–π interactions
Ma, Y.-F.; Song, Z.-H.; Guo, S.-D.; Han, H.; Cai, K.*
Chem. Commun., 2025, 61, 4531-4534
DOI: 10.1039/D4CC06077F
58. Assembly-enhanced recognition: A biomimetic pathway to achieve ultrahigh affinities
Chen, F.-Y.; Gen, W.-C.; Chen, M.-M.; Fu, R.; Han, H.; Zhang, Z.-Z.; Li, B.-W.; Cheng, Y.-Q.; Li, J.-J.; Stoddart, J. F.*; Cai, K.*; Guo, D.-S*.
Proc. Natl. Acad. Sci. U.S.A. 2025 122 e2414253122,
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57. Engineering Helical Chirality in Metal-Coordinated Cyclodextrin Nanochannels
Jiang, Z.-Y.; Chen, Z.; Yu, X-J.; Liu, S.; Xu, W.-M.; Yu, B.; Stern, C. L.; Li, S.-Y.; Zhao, Y.; Liu, X.-Z.; Han, Y.-Q.; Chen, S.-Q.; Cai, K.; Shen, D.-K.; Ma, K.-K.; Li, X.-P.; Chen, Aspen X-Y*.
J. Am. Chem. Soc. 2025, 147, 9, 7325–7335.
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56. Enantiopure Macrocycles Based on Tröger‘s Base and Diphenyl Maleimide Exhibiting Strong Chiral Emission and Host-Guest Properties
Song, Z.-H.; Ma, Y.-F.; Han, H.; Li, D.-Y.; Fu, R.; Zhao, Q.- Y.; Wang, R.-G.; Guo, D.-S*.; Cai, K.*
Chem. Eur. J. 2025, 31, e20240327
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55. Electrostatically Dominated Pre-Organization in Cyclodextrin Metal–Organic Frameworks
Shen, D.-K.; Zhang, Z.-Y.; Kesharwani, T.; Wu, H.; Zhang, L.; Stern, C. L.; Guo, H.-Q.; Cai, K.; Chen, Aspen X-Y*; Stoddart, J. F.*
Angew. Chem. Int. Ed., 2024, 64, e202415404.
DOI: 10.1002/anie.202415404
54. Single Molecular Nanomedicines Based on Macrocyclic Carrier-Drug Conjugates for Concentration-Independent Encapsulation and Precise Activation of Drugs
Yao, S.-Y.; Ying, A.-K.; Jiang, Z.-T.; Cheng, Y.-Q.; Geng, W.-C.; Hu, X.-Y.; Cai, K.*; Guo, D.-S*.
J. Am. Chem. Soc. 2024, 146, 14203–14212.
DOI: 10.1021/jacs.4c03238
53. Enantiopure Corral[4]BINOLs as Ultrastrong Receptors for Recognition and Differential Sensing of Steroids
Fu, R.#; Li, D.-Y.#; Tian, J.-H.; Lin, Y.-L.; Zhao, Q.-Y.; Li, W.-L.; Chen, F.-Y.; Guo, D.-S.; Cai, K.*
Angew. Chem. Int. Ed., 2024, 63, e202406233.
DOI: 10.1002/anie.202406233
52. Expanding the Hydrophobic Cavity Surface of Azocalix [4] arene to Enable Biotin/Avidin Affinity with Controlled Release
Chen, F.-Y.; Li, C.-Z.; Han, H.; Geng, W.-C.; Zhang, S.-X.; Jiang, Z.-T.; Zhao, Q.-Y.; Cai, K.*；Guo, D.-S.*
Angew. Chem. Int. Ed., 2024, 63, e202402139.
DOI: 10.1002/anie.202402139
51. Self-assembly of two pairs of homochiral M2L4 coordination capsules with varied confined space using Tröger’s base ligands
Zhou, Y.; Zhang, W.; Fu, R.; Dong, J.-X.; Liu, Y.-X.; Song, Z.-H.; Han, H.*, Cai, K.*
Chin. Chem. Lett. 2024, 36(2), 109865
DOI: 10.1016/j.cclet.2024.109865
50. Site-selective C–H functionalization in a cyclodextrin metal-organic framework
Chen, Aspen X-Y*; Kesharwani, T; Wu, Y.; Stern,C. L.; Đorđević, L; Wu, H.; Wang, Y.; Song, B.; Feng, L.; Zhang, L.; Zhao, X.-G.; Jiao, Y.; Li, X.-S.; Han, H.; Tang, C.; Zhang, R.-H.; Chen, H.-L.; Cai, K.; Stupp, S. I.; Chen, H.-Y.*; Shen, D.-K.*; Stoddart, J. F.*
Chem., 2024, 10, 234–249
DOI: 10.1016/j.chempr.2023.08.028
49. Adaptive and Ultrahigh-Affinity Recognition in Water by Sulfated Conjugated Corral[5]arene
Wang, R.-G.; Li, W.-B.; Deng, J.-Y.; Han, H.; Chen, F.-Y.; Li, D.-Y.; Jing, L.-B.; Song, Z.-H.; Fu. R.; Guo, S.-D.; Geng, W.-C.; Guo, D.-S.*; Cai, K.*
Angew. Chem. Int. Ed., 2023, 63, e2023174
DOI: 10.1002/anie.202317402
48. A Chiral Emissive Conjugated Corral for High-Affinity and Highly Enantioselective Recognition in Water
Fu, R.; Zhao, Q.-Y; Han, H.; Li, W.-L; Chen, F.-Y; Tang, C.; Zhang, W.; Guo, S.-D.; Li, D.-Y; Geng, W.-C; Guo, D.-S; Cai, K.*
Angew. Chem. Int. Ed., 2023, 62, e2023159
DOI: 10.1002/anie.202315990
46. Molecular recognition of cyclophanes in water
Chen, F.-Y.; Geng, W.-C ; Cai, K.*, Guo, D.-S.*
Chin. Chem. Lett., 2023, DOI:10.1016/j.cclet.2023.109161.
45. Triplet−Triplet Annihilation Upconversion in a Porphyrinic
Molecular Container
Chen, H,-L*; Roy, I.; Myong, M. S.; Seale, J. S. W.; Cai, K.; Jiao, Y.; Liu, W.-Q, Song, B.; Zhang, L.; Zhao, X.-G.; Feng, Y,-N.; Liu, F.-J.; Young, R. M.; Wasielewski, M. R* and Stoddart, J. F.*
J. Am. Chem. Soc. 2023, 145, 10061−10070
44. Making organic nanotubes with precision
Guo, S.-D.; Stoddart, J. F. ; Cai, K.*
Chem. 2023, 9, 1069–1079(Preview)
43. An antitumor dual-responsive host-guest supramolecular polymer based on hypoxia-cleavable azocalix[4]arene
Yao, S.-Y.; Yue, Y.-X.; Ying, A.-K.; Hu, X.-Y.; Li, H.-B.; Cai, K.*; Guo, D.-S.*
Angew. Chem. Int. Ed. 2023, 62, e202213578.
42. An electric molecular motor
Zhang, L. *; Qiu, Y.-Y.; Liu, W.-G.; Chen, H.-L.; Shen, D.-K.; Song, B.; Cai, K.; Wu, H.; Jiao, Y.; Feng, Y.-N.; Seale, J.-S.-W; Pezzato, C.; Tian, J.; Tan, Y.; Chen, X.-Y.; Guo, Q.-H.; Stern, C. L; Philp, D.; Astumian, R, D*; Goddard III, W. A.*; Stoddart, J. F.*
Nature. 2023, 613, 280–286.
41. Corralarenes: A family of conjugated tubular hosts
Han, H.; Fu, R.; Wang, R.; Tang, C.; He, M.-M.; Deng, J.-Y.; Guo, D.-S.; Stoddart, J. F.; Cai, K.*
J. Am. Chem. Soc. 2022, 144, 20351-20362. (Highlighted by Synfacts)
40. Electron-catalysed molecular recognition
Jiao, Y.#; Qiu, Y. #; Zhang, L.; Liu, W.-G.; Mao, H.; Chen, H.; Feng, Y.; Cai, K.; Shen, D.; Song, B.; Chen, X.-Y.; Li, X.; Zhao, X.; Young, R. M.; Stern, C. L.; Wasielewski, M. R.; Astumian, R. D.*; Goddard, W. A.*; Stoddart, J. F.*
Nature. 2022, 603, 265–270.
39. Dual cooperatively grown J-aggregates with different nucleus size
Shi, W.; Wei, R.; Zhang, D.; Meng, L.; Xie, J.; Cai, K.; Zhao, D.*
Angew. Chem. Int. Ed. 2022, 61, e202208635
38. A hypoxia-responsive supramolecular hydrogel based on a deep-cavity azocalix[4]arene
Yao, S.-Y.; Cai, K.*; Guo, D.-S.*
Acta Polym. Sin. 2022, Just published.
37. Polysilicon Microchips Functionalized with Bipyridinium-Based Cyclophanes for a Highly Efficient Cytotoxicity in Cancerous Cells
Limón, D.; Hornick, J. E.; Cai, K.; Beldjoudi, Y.; Duch, M.; Plaza, J. A.; Pérez-García, L.; Stoddart, J. F.*
ACS Nano 2022, 16, 5358–5375.
36. Radical-pairing-induced molecular assembly and motion
Cai, K.#*; Zhang, L.#; Astumian, R. D.*; Stoddart, J. F.*
Nat. Rev. Chem. 2021, 5, 447–465. (#Contribute Equally; *Corresponding Author)
Prior to NKU
35. Radical cyclic[3]daisy chains
Cai, K.; Cui, B.; Song, B.; Wang, H.; Qiu, Y.; Jones, L. O.; Liu, W.; Shi, Y.; Vemuri, S.; Shen, D.; Jiao, T.; Zhang, L.; Wu, H.; Qiu, Y.; Chen, H.; Jiao, Y.; Wang, Y.; Stern, C. L.; Li, H.; Schatz, G. C.; Li, X.; Stoddart, J. F.*
Chem 2021, 7, 174–189.
34. A Contorted nanographene shelter
Wu, H.; Wang, Y.; Song, B.; Wang, H.-J.; Zhou, J.; Sun, Y.; Jones, L. O.; Liu, W.; Zhang, L.; Zhang, X.; Cai, K.; Chen, X.-Y.; Stern, C. L.; Wei, J.; Farha, O. K.; Anna, J. M.; Schatz, G. C.; Liu, Y.*; Stoddart, J. F.*
Nat. Commun. 2021, 12, 5191.
33. Radically Enhanced Dual Recognition
Chen, X.-Y.; Mao, H.; Feng, Y.; Cai, K.; Shen, D.; Wu, H.; Zhang, L.; Zhao, Z.; Chen, H.; Song, B.; Jiao, Y.; Wu, Y.; Stern, C. L.; Wasielewski, M. R.; Stoddart, J. F.*
Angew. Chem. Int. Ed. 2021, 60, 25454–25462
32. Selective photodimerization in a cyclodextrin metal–organic framework
Chen, X.-Y.; Mao, H.; Feng, Y.; Cai, K.; Shen, D.*; Wu, H.; Zhang, L.; Zhao, Z.; Chen, H.; Song, B.; Jiao, Y.; Wu, Y.; Stern, C. L.; Wasielewski, M. R.; Stoddart, J. F.*
Angew. Chem. Int. Ed. 2021, 60, 25454–25462
31. Electron-catalyzed dehydrogenation in a single-molecule junction
Chen, H.; Jiang, F.; Hu, C.; Jiao, Y.; Chen, S.; Qiu, Y.; Zhou, P.; Zhang, L.; Cai, K.; Song, B.; Chen, X.-Y.; Zhao, X.; Wasielewski, M. R.; Guo, H.*; Hong, W.*; Stoddart, J. F. *
J. Am. Chem. Soc. 2021, 143, 8476–8487.
30. A Donor–acceptor [2]Catenane for visible Light photocatalysis
Jiao, Y.; Đorđević, L.; Mao, H.; Young, R. M.; Jaynes, T.; Chen, H.; Qiu, Y.; Cai, K.; Zhang, L.; Chen, X.-Y.; Feng, Y.; Wasielewski, M. R.; Stupp, S. I.*; Stoddart, J. F. *
J. Am. Chem. Soc. 2021, 143, 8000–8010.
29. Molecular Pump Enabled Synthesis of A Daisy Chain Polymer
Cai, K.#; Shi, Y.#; Zhuang, G.-W.; Zhang, L.; Qiu, Y.; Shen, D.; Chen, H.; Jiao, Y.; Wu, H.; Cheng, C.; Stoddart, J. F. *
J. Am. Chem. Soc. 2020, 142, 10308–10313. (#Contribute Equally)
28. Highly stable organic diradicals protected by mechanical bond
Cai, K.; Mao, H.; Liu, W.-G.; Qiu, Y.; Shi, Y.; Long, Z.; Shen, D.; Chen, H.; Jiao, Y.; Wu, H.; Liu, Z.; Feng, Y.; Stern, C. L.; Wasielewski, M. R.; Goddard III, W. A.; Stoddart, J. F. *
J. Am. Chem. Soc. 2020, 142, 7190–7197.
27. Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes
Cai, K.; Shi, Y.; Vemuri, S.; Cao, C.; Cui, B.; Shen, D.; Wu, H.; Zhang, L.; Qiu, Y.; Chen, H.; Jiao, Y.; Stern, C. L.; Alsubaie, F. M.; Xiao, H.*; Li, J.; Stoddart, J. F. *
Chem. Sci. 2020, 11, 107–112.
26. Suit [3] ane
Chen, X.-Y.; Shen, D.; Cai, K.; Jiao, Y.; Wu, H.; Song, B.; Zhang, L.; Tan,Y.; Wang, Y.; Feng, Y.; Stern, C. L.; Stoddart, J. F.*
J. Am. Chem. Soc. 2020, 142, 20152–20160.
25. Two-photon excited deep-red and near-infrared emissive organic co-crystals
Wu, H.; Wang, Y.; Jones, L. O.; Liu, W.; Song, B.; Cui, Y.; Cai, K.; Zhang, L.; Shen, D.; Chen, X.-Y.; Jiao, Y.; Stern, C. L.; Li, X.; Schatz G. C.; Stoddart, J. F.*
Nat. Commun. 2020, 11, 4633.
24. Ring-in-ring (s) complexes exhibiting tunable multicolor photoluminescence
Wang, Y.; Wu, H.; Li, P.; Chen, S.; Jones, L. O.; Mosquera, M. A.; Zhang, L.; Cai, K.; Chen, H.; Chen, X.-Y.; Stern, C. L; Wasielewski, M. R.; Ratner, M. A.; Schatz, G. C.; Stoddart, J. F.*
J. Am. Chem. Soc. 2020, 142, 16849–16860.
23. Toward Möbius and tubular cyclopolyarene nanorings via arylbutadiyne macrocycles
Wang, Y.; Wu, H.; Li, P.; Chen, S.; Jones, L. O.; Mosquera, M. A.; Zhang, L.; Cai, K.; Chen, H.; Chen, X.-Y.; Stern, C. L; Wasielewski, M. R.; Ratner, M. A.; Schatz, G. C.; Stoddart, J. F.*
Nat. Commun. 2020, 11, 4633.
22. A precise polyrotaxane synthesizer
Qiu, Y.; Song, B.; Pezzato, C.; Shen, D.; Liu, W.; Zhang, L.; Feng, Y.; Guo, Q.; Cai, K.; Li, W.; Chen, H.;Nguyen, M. T.; Shi, Y.; Cheng, C.; Astumian, R. D.; Li, X.; Stoddart, J. F.*
Science 2020, 368, 1247–1253.
21. Giant conductance enhancement of intramolecular circuits through interchannel gating
Luo, Z.; Yang, X.; Cai, K.; Fu, X.; Zhang, D.; Ma, Y.; Zhao, D.
Angew. Chem. Int. Ed. 2020, 59, 2–9.
20. Organic counteranion co-assembly strategy for the formation of γ-cyclodextrin-containing hybrid frameworks
Shen, D.; Cooper, J. A.; Li, P.; Guo, Q. H.; Cai, K.; Wang, X.; Wu, H.; Chen, H.; Zhang, L.; Jiao, Y.; Qiu, Y.; Stern, C. L.; Liu, Z.; Sue, A. C.-H.; Yang, Y. W.; Alsubaie, F. M.; Farha, O. K.; Stoddart, J. F. *
J. Am. Chem. Soc. 2020, 142, 2042–2050.
19. High-efficiency gold recovery using Cucurbit[6]uril
Wu, H.; Jones, L. O.; Wang, Y.; Shen, D.; Liu, Z.; Zhang, L.; Cai, K.; Jiao, Y.; Stern, C. L.; Schatz, G. C.; Stoddart, J. F. *
ACS Appl. Mater. Interfaces 2020, 12, 38768–38777.
18. Stepwise on-surface dissymmetric reaction to construct binodal organometallic network
Liu, J.; Chen, Q.; Cai, K.; Li, J.; Li, Y.; Yang, X.; Zhang, Y.; Wang, Y.*; Tang, H.; Zhao, D.*; Wu, K.*
Nat. Commun. 2019, 10, 2545.
17. Stabilizing the naphthalenediimide radical within a tetracationic cyclophane
Jiao, T.; Cai, K.; Nelson, J. N.; Jiao, Y.; Qiu, Y.; Wu, G.; Zhou, J.; Cheng, C.; Shen, D.; Feng, Y.; Liu, Z.; Wasielewski*, W. R.; Stoddart, J. F.*; Li, H.*
J. Am. Chem. Soc. 2019, 141, 16915–16922.
16. Guest recognition enhanced by lateral interactions
Jiao, T.; Cai, K.; Liu, Z.; Wu, G.; Shen, L.; Cheng, C.; Feng, Y.; Stern, C. L.; Stoddart, J. F.*; Li, H.*
Chem. Sci. 2019, 10, 5114–5123.
15. A dynamic tetracationic macrocycle exhibiting photoswitchable molecular encapsulation
Wu, H.; Chen, Y.; Zhang, L.; Anamimoghadam, O.; Shen, D.; Liu, Z.; Cai, K.; Pezzato, C.; Stern, S. L.; Liu, Y.*; Stoddart, J. F. *
J. Am. Chem. Soc. 2019, 141, 1280–1289.
14. A molecular dual pump
Qiu, Y.; Zhang, L.; Pezzato, C.; Feng, Y.; Li, W.; Nguyen, M. T.; Cheng, C.; Shen, D.; Guo. Q.-H.; Shi, Y.; Cai, K.; Alsubaie, F. M.; Astumian, R. D.; Stoddart, J. F.*
J. Am. Chem. Soc. 2019, 139, 17472–17476.
13. Molecular Russian dolls
Cai, K.; Lipke, M. C.; Liu, Z.; Nelson, J.; Cheng, T.; Shi, Y.; Cheng, C.; Shen, D.; Han, J.-M.; Vemuri, S.; Feng, Y.; Stern, C. L.; Wasielewski, M. R.; Goddard, W. A.; Stoddart, J. F.*
Nat. Commun. 2018, 9, 5275.
12. Selective extraction of C70 by a tetragonal prismatic porphyrin cage
Shi, Y.#; Cai, K. #; Xiao, H.; Liu, Z.; Zhou, J.; Shen, D.; Qiu, Y.; Guo, Q.-H.; Stern, C. L.;Wasielewski, M. R.; Diederich, F.; Goddard, W. A.; Stoddart, J. F.*
J. Am. Chem. Soc. 2018, 140, 13835–13842. (#Contribute Equally)
11. Concurrent cooperative J-and anti-cooperative H-aggregates
Cai, K.#; Xie, J.#; Zhang, D.; Shi, W.; Yan, Q.*; Zhao, D.*
J. Am. Chem. Soc. 2018, 140, 5764–5773. (#Contribute Equally)
10. Epitaxial growth of γ-Cyclodextrin-containing Metal–Organic Frameworks based on a host–guest strategy
Shen, D.; Wang, G.; Liu, Z.; Li, P.; Cai, K.; Cheng, C.; Shi, Y.; Han, J.-M.; Kung, C.W.; Gong, X.; Guo, Q.-H.; Chen, H.; Sue, A. C.-S.; Botros, Y. Y.; Facchetti, A.; Farha, O. K.; Marks, T. J.; Stoddart, J. F.*
J. Am. Chem. Soc. 2018, 140, 11402–11407.
9. Supramolecular aggregates with distinct optical properties from PDI oligomers of similar structures
Yan, Q.; Cai, K.; Zhao, D.*
Phys. Chem. Chem. Phys. 2016, 18, 1905–1910.
8. A NIR dye with high-performance N-type semiconducting property
Xie, J.; Shi, K.; Cai, K.; Wang, J.; Pei, J.*; Zhao, D.*
Chem. Sci. 2016, 7, 499–504.
7. Syntheses of polycyclic aromatic diimides via intramolecular cyclization of maleic acid derivatives
Wang, R.; Shi, K.; Cai, K.; Guo, Y.; Yang, X.; Wang, J.; Pei, J.*; Zhao, D.*
New J. Chem. 2016, 40, 113–121.
6. Cyano- and Chloro-substituted coronene diimides as Solution-processable electron-transporting semiconductors
Zhang, C.; Shi, K.; Cai, K.; Xie, J.; Lei, T.; Yan, Q.; Wang, J.-Y.; Pei J.*; Zhao, D.*
Chem. Commun. 2015, 51, 7144–7147.
5. NIR J-aggregates of hydroazaheptacene tetraimides
Cai, K.; Xie, J.; Zhao, D.*
J. Am. Chem. Soc. 2014, 136, 28–31.
4. Heterohexacene diimides: anti- and syn- isomers and quinonoid forms
Cai, K.; Xie, J.; Yang, X.; Zhao, D.*
Org. Lett. 2014, 16, 1852–1855
3. Chemical designs of functional photoactive molecular assemblies
Yan, Q.; Luo, Z.; Cai, K.; Ma, Y.*; Zhao, D.*
Chem. Soc. Rev. 2014, 43, 4199–4221.
2. Large hydroazaacene diimides: synthesis, tautomerism, halochromism, and redox-switchable NIR optics
Cai, K.; Yan, Q.; Zhao, D.*
Chem. Sci. 2012, 3, 3175–3182.
1. Coronenediimides synthesized via ICl-induced cyclization of diethynyl perylenediimides
Yan, Q.; Cai, K.; Zhang, C.; Zhao, D.*
Org. Lett. 2012, 14, 4654–4657.
