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Items: 1 to 50 of 159

1.

Highly selective encapsulation and purification of U-based C78-EMFs within a supramolecular nanocapsule.

Fuertes-Espinosa C, Murillo J, Soto ME, Ceron MR, Morales-Martínez R, Rodríguez-Fortea A, Poblet JM, Echegoyen L, Ribas X.

Nanoscale. 2019 Dec 21;11(47):23035-23041. doi: 10.1039/c9nr07660c. Epub 2019 Nov 27.

PMID:
31774082
2.

Chemical Reactions of Cationic Metallofullerenes: An Alternative Route for Exohedral Functionalization.

Hu Y, Solé-Daura A, Yao YR, Liu X, Liu S, Yu A, Peng P, Poblet JM, Rodríguez-Fortea A, Echegoyen L, Li FF.

Chemistry. 2019 Nov 20. doi: 10.1002/chem.201904854. [Epub ahead of print]

PMID:
31749187
3.

9-Cobalt(II)-Containing 27-Tungsto-3-germanate(IV): Synthesis, Structure, Computational Modeling, and Heterogeneous Water Oxidation Catalysis.

Haider A, Bassil BS, Soriano-López J, Qasim HM, Sáenz de Pipaón C, Ibrahim M, Dutta D, Koo YS, Carbó JJ, Poblet JM, Galán-Mascarós JR, Kortz U.

Inorg Chem. 2019 Sep 3;58(17):11308-11316. doi: 10.1021/acs.inorgchem.9b01495. Epub 2019 Aug 14.

PMID:
31411866
4.

Tetravalent Metal Ion Guests in Polyoxopalladate Chemistry: Synthesis and Anticancer Activity of [MO8Pd12(PO4)8]12- (M = SnIV, PbIV).

Yang P, Ma T, Lang Z, Misirlic-Dencic S, Isakovic AM, Bényei A, Čolović MB, Markovic I, Krstić DZ, Poblet JM, Lin Z, Kortz U.

Inorg Chem. 2019 Sep 3;58(17):11294-11299. doi: 10.1021/acs.inorgchem.9b01129. Epub 2019 Aug 14.

PMID:
31411862
5.

Peroxo-Cerium(IV)-Containing Polyoxometalates: [CeIV6(O2)9(GeW10O37)3]24-, a Recyclable Homogeneous Oxidation Catalyst.

Qasim HM, Ayass WW, Donfack P, Mougharbel AS, Bhattacharya S, Nisar T, Balster T, Solé-Daura A, Römer I, Goura J, Materny A, Wagner V, Poblet JM, Bassil BS, Kortz U.

Inorg Chem. 2019 Sep 3;58(17):11300-11307. doi: 10.1021/acs.inorgchem.9b01164. Epub 2019 Aug 14.

PMID:
31411859
6.

Th@C1(11)-C86: an actinide encapsulated in an unexpected C86 fullerene cage.

Wang Y, Morales-Martínez R, Cai W, Zhuang J, Yang W, Echegoyen L, Poblet JM, Rodríguez-Fortea A, Chen N.

Chem Commun (Camb). 2019 Aug 14;55(63):9271-9274. doi: 10.1039/c9cc04613e. Epub 2019 Jul 12.

PMID:
31298675
7.

How Does the Redox State of Polyoxovanadates Influence the Collective Behavior in Solution? A Case Study with [I@V18O42] q- ( q = 3, 5, 7, 11, and 13).

Solé-Daura A, Notario-Estévez A, Carbó JJ, Poblet JM, de Graaf C, Monakhov KY, López X.

Inorg Chem. 2019 Mar 18;58(6):3881-3894. doi: 10.1021/acs.inorgchem.8b03508. Epub 2019 Mar 4.

PMID:
30830759
8.

Controlling the Activity and Stability of Electrochemical Interfaces Using Atom-by-Atom Metal Substitution of Redox Species.

Prabhakaran V, Lang Z, Clotet A, Poblet JM, Johnson GE, Laskin J.

ACS Nano. 2019 Jan 22;13(1):458-466. doi: 10.1021/acsnano.8b06813. Epub 2018 Dec 13.

PMID:
30521751
9.

Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C1(17418)-C76, U@ C1(28324)-C80, and Th@ C1(28324)-C80: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.

Cai W, Abella L, Zhuang J, Zhang X, Feng L, Wang Y, Morales-Martínez R, Esper R, Boero M, Metta-Magaña A, Rodríguez-Fortea A, Poblet JM, Echegoyen L, Chen N.

J Am Chem Soc. 2018 Dec 26;140(51):18039-18050. doi: 10.1021/jacs.8b10435. Epub 2018 Dec 4.

PMID:
30453733
10.

Modeling the Oxygen Vacancy at a Molecular Vanadium(III) Silica-Supported Catalyst.

Zhang T, Solé-Daura A, Hostachy S, Blanchard S, Paris C, Li Y, Carbó JJ, Poblet JM, Proust A, Guillemot G.

J Am Chem Soc. 2018 Nov 7;140(44):14903-14914. doi: 10.1021/jacs.8b09048. Epub 2018 Oct 26.

PMID:
30362733
11.

Mixed Dimetallic Cluster Fullerenes: ScGdO@ C3v(8)-C82 and ScGdC2@ C2v(9)-C82.

Yang W, Abella L, Wang Y, Li X, Gu J, Poblet JM, Rodríguez-Fortea A, Chen N.

Inorg Chem. 2018 Sep 17;57(18):11597-11605. doi: 10.1021/acs.inorgchem.8b01646. Epub 2018 Aug 29.

PMID:
30156833
12.

Purification of Uranium-based Endohedral Metallofullerenes (EMFs) by Selective Supramolecular Encapsulation and Release.

Fuertes-Espinosa C, Gómez-Torres A, Morales-Martínez R, Rodríguez-Fortea A, García-Simón C, Gándara F, Imaz I, Juanhuix J, Maspoch D, Poblet JM, Echegoyen L, Ribas X.

Angew Chem Int Ed Engl. 2018 Aug 27;57(35):11294-11299. doi: 10.1002/anie.201806140. Epub 2018 Jul 26.

PMID:
29917307
13.

Self-assembly study of nanometric spheres from polyoxometalate-phenylalanine hybrids, an experimental and theoretical approach.

Nikoloudakis E, Karikis K, Laurans M, Kokotidou C, Solé-Daura A, Carbó JJ, Charisiadis A, Charalambidis G, Izzet G, Mitraki A, Douvas AM, Poblet JM, Proust A, Coutsolelos AG.

Dalton Trans. 2018 May 8;47(18):6304-6313. doi: 10.1039/c8dt00380g.

PMID:
29658016
14.

Formation of C2v-C72(11188)Cl4: A Particularly Stable Non-IPR Fullerene.

Moreno-Vicente A, Abella L, Azmani K, Rodríguez-Fortea A, Poblet JM.

J Phys Chem A. 2018 Mar 1;122(8):2288-2296. doi: 10.1021/acs.jpca.7b12228. Epub 2018 Feb 20.

PMID:
29436831
15.

U2@ I h(7)-C80: Crystallographic Characterization of a Long-Sought Dimetallic Actinide Endohedral Fullerene.

Zhang X, Wang Y, Morales-Martínez R, Zhong J, de Graaf C, Rodríguez-Fortea A, Poblet JM, Echegoyen L, Feng L, Chen N.

J Am Chem Soc. 2018 Mar 21;140(11):3907-3915. doi: 10.1021/jacs.7b10865. Epub 2018 Feb 12.

PMID:
29376388
16.

Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.

Zheng Q, Vilà-Nadal L, Lang Z, Chen JJ, Long DL, Mathieson JS, Poblet JM, Cronin L.

J Am Chem Soc. 2018 Feb 21;140(7):2595-2601. doi: 10.1021/jacs.7b11982. Epub 2018 Feb 12.

17.

Polyoxometalate electrocatalysts based on earth-abundant metals for efficient water oxidation in acidic media.

Blasco-Ahicart M, Soriano-López J, Carbó JJ, Poblet JM, Galan-Mascaros JR.

Nat Chem. 2018 Jan;10(1):24-30. doi: 10.1038/nchem.2874. Epub 2017 Oct 30.

PMID:
29256497
18.

Size and charge effect of guest cations in the formation of polyoxopalladates: a theoretical and experimental study.

Lang Z, Yang P, Lin Z, Yan L, Li MX, Carbó JJ, Kortz U, Poblet JM.

Chem Sci. 2017 Nov 1;8(11):7862-7872. doi: 10.1039/c7sc03441e. Epub 2017 Sep 25.

19.

Transformation of doped graphite into cluster-encapsulated fullerene cages.

Mulet-Gas M, Abella L, Cerón MR, Castro E, Marshall AG, Rodríguez-Fortea A, Echegoyen L, Poblet JM, Dunk PW.

Nat Commun. 2017 Oct 31;8(1):1222. doi: 10.1038/s41467-017-01295-9.

20.

Single crystal structures and theoretical calculations of uranium endohedral metallofullerenes (U@C2n , 2n = 74, 82) show cage isomer dependent oxidation states for U.

Cai W, Morales-Martínez R, Zhang X, Najera D, Romero EL, Metta-Magaña A, Rodríguez-Fortea A, Fortier S, Chen N, Poblet JM, Echegoyen L.

Chem Sci. 2017 Aug 1;8(8):5282-5290. doi: 10.1039/c7sc01711a. Epub 2017 May 22.

21.

Dimerization of Endohedral Fullerene in a Superatomic Crystal.

Voevodin A, Abella L, Castro E, Paley DW, Campos LM, Rodríguez-Fortea A, Poblet JM, Echegoyen L, Roy X.

Chemistry. 2017 Sep 27;23(54):13305-13308. doi: 10.1002/chem.201703203. Epub 2017 Aug 28.

PMID:
28777885
22.

Unusual C2h -Symmetric trans-1-(Bis-pyrrolidine)-tetra-malonate Hexa-Adducts of C60 : The Unexpected Regio- and Stereocontrol Mediated by Malonate-Pyrrolidine Interaction.

Castro E, Azmani K, Garcia AH, Aghabali A, Liu S, Metta-Magana AJ, Olmstead MM, Rodríguez-Fortea A, Poblet JM, Echegoyen L.

Chemistry. 2017 Nov 13;23(63):15937-15944. doi: 10.1002/chem.201702866. Epub 2017 Sep 1.

PMID:
28777873
23.

Real-time molecular scale observation of crystal formation.

Schreiber RE, Houben L, Wolf SG, Leitus G, Lang ZL, Carbó JJ, Poblet JM, Neumann R.

Nat Chem. 2017 Apr;9(4):369-373. doi: 10.1038/nchem.2675. Epub 2016 Nov 28.

PMID:
28338680
24.

Assembly Mechanism of Zr-Containing and Other TM-Containing Polyoxometalates.

Jiménez-Lozano P, Solé-Daura A, Wipff G, Poblet JM, Chaumont A, Carbó JJ.

Inorg Chem. 2017 Apr 3;56(7):4148-4156. doi: 10.1021/acs.inorgchem.7b00096. Epub 2017 Mar 20.

PMID:
28318233
25.

Unique Four-Electron Metal-to-Cage Charge Transfer of Th to a C82 Fullerene Cage: Complete Structural Characterization of Th@C3v(8)-C82.

Wang Y, Morales-Martínez R, Zhang X, Yang W, Wang Y, Rodríguez-Fortea A, Poblet JM, Feng L, Wang S, Chen N.

J Am Chem Soc. 2017 Apr 12;139(14):5110-5116. doi: 10.1021/jacs.6b13383. Epub 2017 Mar 31.

PMID:
28314102
26.

Counterintuitive Adsorption of [PW11O39]7- on Au(100).

Lang Z, Aparicio-Anglès X, Weinstock I, Clotet A, Poblet JM.

Inorg Chem. 2017 Apr 3;56(7):3961-3969. doi: 10.1021/acs.inorgchem.6b03035. Epub 2017 Mar 15.

PMID:
28293953
27.

Mixed-Metal Hybrid Polyoxometalates with Amino Acid Ligands: Electronic Versatility and Solution Properties.

Bagherjeri FA, Vonci M, Nagul EA, Ritchie C, Gable RW, Taylor MB, Bryant G, Guo SX, Zhang J, Aparicio PA, López X, Poblet JM, Boskovic C.

Inorg Chem. 2016 Dec 5;55(23):12329-12347. Epub 2016 Nov 15.

PMID:
27934444
28.

Discrete Silver(I)-Palladium(II)-Oxo Nanoclusters, {Ag4 Pd13 } and {Ag5 Pd15 }, and the Role of Metal-Metal Bonding Induced by Cation Confinement.

Yang P, Xiang Y, Lin Z, Lang Z, Jiménez-Lozano P, Carbó JJ, Poblet JM, Fan L, Hu C, Kortz U.

Angew Chem Int Ed Engl. 2016 Dec 19;55(51):15766-15770. doi: 10.1002/anie.201608122. Epub 2016 Nov 29.

PMID:
27897413
29.

Synthesis, Structure, and Antibacterial Activity of a Thallium(III)-Containing Polyoxometalate, [Tl2{B-β-SiW8O30(OH)}2]12.

Ayass WW, Fodor T, Lin Z, Smith RM, Xing X, Abdallah K, Tóth I, Zékány L, Pascual-Borràs M, Rodríguez-Fortea A, Poblet JM, Fan L, Cao J, Keita B, Ullrich MS, Kortz U.

Inorg Chem. 2016 Oct 17;55(20):10118-10121. doi: 10.1021/acs.inorgchem.6b01921. Epub 2016 Oct 5.

PMID:
27704800
30.

Zigzag Sc2C2 Carbide Cluster inside a [88]Fullerene Cage with One Heptagon, Sc2C2@Cs(hept)-C88: A Kinetically Trapped Fullerene Formed by C2 Insertion?

Chen CH, Abella L, Cerón MR, Guerrero-Ayala MA, Rodríguez-Fortea A, Olmstead MM, Powers XB, Balch AL, Poblet JM, Echegoyen L.

J Am Chem Soc. 2016 Oct 5;138(39):13030-13037. Epub 2016 Sep 21.

PMID:
27592501
31.

Direct Observation of the Formation Pathway of [Mo132] Keplerates.

Biswas S, Melgar D, Srimany A, Rodríguez-Fortea A, Pradeep T, Bo C, Poblet JM, Roy S.

Inorg Chem. 2016 Sep 6;55(17):8285-91. doi: 10.1021/acs.inorgchem.5b02570. Epub 2016 Aug 25.

PMID:
27560767
32.

Probing Polyoxometalate-Protein Interactions Using Molecular Dynamics Simulations.

Solé-Daura A, Goovaerts V, Stroobants K, Absillis G, Jiménez-Lozano P, Poblet JM, Hirst JD, Parac-Vogt TN, Carbó JJ.

Chemistry. 2016 Oct 17;22(43):15280-15289. doi: 10.1002/chem.201602263. Epub 2016 Aug 17.

PMID:
27531593
33.

Capturing the Fused-Pentagon C74 by Stepwise Chlorination.

Gao CL, Abella L, Tan YZ, Wu XZ, Rodríguez-Fortea A, Poblet JM, Xie SY, Huang RB, Zheng LS.

Inorg Chem. 2016 Jul 18;55(14):6861-5. doi: 10.1021/acs.inorgchem.5b02824. Epub 2016 Jun 24.

PMID:
27341488
34.

Investigating the Transformations of Polyoxoanions Using Mass Spectrometry and Molecular Dynamics.

Cameron JM, Vilà-Nadal L, Winter RS, Iijima F, Murillo JC, Rodríguez-Fortea A, Oshio H, Poblet JM, Cronin L.

J Am Chem Soc. 2016 Jul 20;138(28):8765-73. doi: 10.1021/jacs.6b02245. Epub 2016 Jul 7.

35.

Alkene Epoxidation Catalyzed by Ti-Containing Polyoxometalates: Unprecedented β-Oxygen Transfer Mechanism.

Jiménez-Lozano P, Skobelev IY, Kholdeeva OA, Poblet JM, Carbó JJ.

Inorg Chem. 2016 Jun 20;55(12):6080-4. doi: 10.1021/acs.inorgchem.6b00621. Epub 2016 May 27.

PMID:
27232155
36.

Regio-, Stereo-, and Atropselective Synthesis of C60 Fullerene Bisadducts by Supramolecular-Directed Functionalization.

Bottari G, Trukhina O, Kahnt A, Frunzi M, Murata Y, Rodríguez-Fortea A, Poblet JM, Guldi DM, Torres T.

Angew Chem Int Ed Engl. 2016 Sep 5;55(37):11020-5. doi: 10.1002/anie.201602713. Epub 2016 May 9.

PMID:
27159570
37.

La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors?

Abella L, Mulet-Gas M, Rodríguez-Fortea A, Poblet JM.

Inorg Chem. 2016 Apr 4;55(7):3302-6. doi: 10.1021/acs.inorgchem.5b02414. Epub 2016 Mar 22.

PMID:
27002381
38.

Sc2O@C(3v)(8)-C82: A Missing Isomer of Sc2O@C82.

Tang Q, Abella L, Hao Y, Li X, Wan Y, Rodríguez-Fortea A, Poblet JM, Feng L, Chen N.

Inorg Chem. 2016 Feb 15;55(4):1926-33. doi: 10.1021/acs.inorgchem.5b02901. Epub 2016 Feb 3.

PMID:
26840749
39.

Preparation of α1- and α2-isomers of mono-Ru-substituted Dawson-type phosphotungstates with an aqua ligand and comparison of their redox potentials, catalytic activities, and thermal stabilities with Keggin-type derivatives.

Nishiki K, Umehara N, Kadota Y, López X, Poblet JM, Mezui CA, Teillout AL, Mbomekalle IM, de Oliveira P, Miyamoto M, Sano T, Sadakane M.

Dalton Trans. 2016 Mar 7;45(9):3715-26. doi: 10.1039/c5dt04219d.

PMID:
26672976
40.

Accuracy of embedded fragment calculation for evaluating electron interactions in mixed valence magnetic systems: study of 2e-reduced lindqvist polyoxometalates.

Suaud N, López X, Ben Amor N, Bandeira NA, de Graaf C, Poblet JM.

J Chem Theory Comput. 2015 Feb 10;11(2):550-9. doi: 10.1021/ct5010005.

PMID:
26580912
41.

Reactivity differences of Sc3N@C(2n) (2n = 68 and 80). Synthesis of the first methanofullerene derivatives of Sc3N@D(5h)-C80.

Cerón MR, Izquierdo M, Alegret N, Valdez JA, Rodríguez-Fortea A, Olmstead MM, Balch AL, Poblet JM, Echegoyen L.

Chem Commun (Camb). 2016 Jan 4;52(1):64-7. doi: 10.1039/c5cc07416a.

PMID:
26437751
42.

Sc2O@C(2v)(5)-C80: Dimetallic Oxide Cluster Inside a C80 Fullerene Cage.

Tang Q, Abella L, Hao Y, Li X, Wan Y, Rodríguez-Fortea A, Poblet JM, Feng L, Chen N.

Inorg Chem. 2015 Oct 19;54(20):9845-52. doi: 10.1021/acs.inorgchem.5b01613. Epub 2015 Sep 30.

PMID:
26421874
43.

Mechanism of thioether oxidation over di- and tetrameric ti centres: kinetic and DFT studies based on model Ti-containing polyoxometalates.

Skobelev IY, Zalomaeva OV, Kholdeeva OA, Poblet JM, Carbó JJ.

Chemistry. 2015 Oct 5;21(41):14496-506. doi: 10.1002/chem.201501157. Epub 2015 Aug 13.

PMID:
26384744
44.

Different Factors Govern Chlorination and Encapsulation in Fullerenes: The Case of C66.

Alegret N, Abella L, Azmani K, Rodríguez-Fortea A, Poblet JM.

Inorg Chem. 2015 Aug 3;54(15):7562-70. doi: 10.1021/acs.inorgchem.5b01187. Epub 2015 Jul 15.

PMID:
26176335
45.

Sc2O@Td 19151)-C76 : hindered cluster motion inside a tetrahedral carbon cage probed by crystallographic and computational studies.

Yang T, Hao Y, Abella L, Tang Q, Li X, Wan Y, Rodríguez-Fortea A, Poblet JM, Feng L, Chen N.

Chemistry. 2015 Jul 27;21(31):11110-7. doi: 10.1002/chem.201500904. Epub 2015 Jun 18.

PMID:
26088830
46.

(2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M3N@C80 (M = Sc, Y): A Rotating-Intermediate Mechanism.

Yang T, Nagase S, Akasaka T, Poblet JM, Houk KN, Ehara M, Zhao X.

J Am Chem Soc. 2015 Jun 3;137(21):6820-8. doi: 10.1021/jacs.5b01444. Epub 2015 May 22.

PMID:
25971783
47.

Accurate calculation of (31)P NMR chemical shifts in polyoxometalates.

Pascual-Borràs M, López X, Poblet JM.

Phys Chem Chem Phys. 2015 Apr 14;17(14):8723-31. doi: 10.1039/c4cp05016a. Epub 2015 Mar 4.

PMID:
25738630
48.

Small endohedral metallofullerenes: exploration of the structure and growth mechanism in the Ti@C2n (2n = 26-50) family.

Mulet-Gas M, Abella L, Dunk PW, Rodríguez-Fortea A, Kroto HW, Poblet JM.

Chem Sci. 2015 Jan 1;6(1):675-686. doi: 10.1039/c4sc02268h. Epub 2014 Sep 12.

49.

Bottom-up formation of endohedral mono-metallofullerenes is directed by charge transfer.

Dunk PW, Mulet-Gas M, Nakanishi Y, Kaiser NK, Rodríguez-Fortea A, Shinohara H, Poblet JM, Marshall AG, Kroto HW.

Nat Commun. 2014 Dec 19;5:5844. doi: 10.1038/ncomms6844.

PMID:
25524825
50.

Managing the computational chemistry big data problem: the ioChem-BD platform.

Álvarez-Moreno M, de Graaf C, López N, Maseras F, Poblet JM, Bo C.

J Chem Inf Model. 2015 Jan 26;55(1):95-103. doi: 10.1021/ci500593j. Epub 2014 Dec 15.

PMID:
25469626

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