0000000001301780
AUTHOR
Antonio Caballero
Host–Guest Chemistry: Oxoanion Recognition Based on Combined Charge‐Assisted C−H or Halogen‐Bonding Interactions and Anion⋅⋅⋅Anion Interactions Mediated by Hydrogen Bonds
Several bis-triazolium-based receptors have been synthesized and their anion-recognition capabilities have been studied. The central chiral 1,1'-bi-2-naphthol (BINOL) core features either two aryl or ferrocenyl end-capped side arms with central halogen- or hydrogen-bonding triazolium receptors. NMR spectroscopic data indicate the simultaneous occurrence of several charge-assisted aliphatic and heteroaromatic C-H noncovalent interactions and combinations of C-H hydrogen and halogen bonding. The receptors are able to selectively interact with HP2 O7 (3-) , H2 PO4 (-) , and SO4 (2-) anions, and the value of the association constant follows the sequence: HP2 O7 (3-) >SO4 (2-) >H2 PO4 (-) . The …
Synthesis, Structure and Anion Sensing Properties of a Dicationic Bis(imidazolium)-Based Cyclophane
The preparation and sensing properties of a tetracyclic cyclophane receptor containing two imidazolium rings as anion binding sites and two fluorene rings as fluorescent signaling units, are reported. The receptor behaves as a selective fluorescent chemosensor molecule for inorganic phosphates. H-NMR spectroscopical data clearly indicate the simultaneous occurrence of charge-assisted aromatic and aliphatic C−H noncovalent interactions. PCM/DFT calculations have been carried out to predict the structures of the complexes formed with one and two molecules of PF , HPO and HPO .
Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions
We describe here the utilization of 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as new anion binding sites by hydrogen- or halogen-bonding interactions, respectively. These binding sites have been integrated in bidentate ester based receptors. Emission experiments reveal that both receptors selectively recognize sulfate anions, which induced a remarkable increase of a new emission band attributed to the formation of π-stacking interactions between two 1,4-naphthoquinone units. Absorption spectroscopy and mass spectrometry indicate the disruption of the ester group of the 1,4-naphthoquinone based receptor in the presence of HP2O73−, H2PO4−, F−, AcO− and C6H5CO2− and in the haloge…
Removal of primary tumor improves survival in metastatic breast cancer. Does timing of surgery influence outcomes?
Resection of intact primary tumor is controversial in metastatic breast cancer patients. The aim of this study is to review the impact of surgical resection of primary tumor on overall survival and to assess the role of timing of surgery on survival rates.208 patients with metastatic breast cancer diagnosed between 1982 and 2005 in the Hospital Clinico of Valencia (Spain) were analysed. Exclusion criteria were age80, PS 3-4, Charlson score 3 or follow-up90 days. 123 of these underwent surgery and 85 did not. In order to assess the role of timing, the "surgery" cohort was divided into two sub-groups: "before" (n = 78) or "after" (n = 45) diagnosis of disseminated disease.In the surgery group…
Triazole-Containing [FeFe] Hydrogenase Mimics: Synthesis and Electrocatalytic Behavior
Through a Cu-catalyzed Huisgen cycloaddition between terminal alkynes and azides (CuAAC) reaction, azide [(μ-SCH2)2N(4-N3C6H4)Fe2(CO)6] has demonstrated to be a robust and versatile reagent able to...
2,4,5-Trimethylimidazolium Scaffold for Anion Recognition Receptors Acting Through Charge-Assisted Aliphatic and Aromatic C–H Interactions
A series of two-armed 2,4,5-trimethylimidazolium-based oxoanion receptors, which incorporate two end-capped photoactive anthracene rings, being the central core an aromatic or heteroaromatic ring, has been designed. In the presence of HP2O7(3-), H2PO4(-), and SO4(2-) anions, (1)H- and (31)P NMR spectroscopical data clearly indicate the simultaneous occurrence of several charge-assisted aliphatic and aromatic C-H noncovalent interactions, i.e., significant downfield shifts were observed for the imidazolium C(2)-CH3 protons, the methylene N-CH2 protons, and the inner aromatic proton or the outer heteroaromatic protons. Density functional theory calculations confirm the occurrence of these non…
CCDC 1456591: Experimental Crystal Structure Determination
Related Article: Paula Sabater, Fabiola Zapata, Antonio Caballero, Israel Fernández, Carmen Ramirez de Arellano, and Pedro Molina|2016|J.Org.Chem.|81|3790|doi:10.1021/acs.joc.6b00468
CCDC 1915911: Experimental Crystal Structure Determination
Related Article: Encarnación Navarro-García, María D. Velasco, Fabiola Zapata, Antonio Bauzá, Antonio Frontera, Carmen Ramírez de Arellano, Antonio Caballero|2019|Dalton Trans.|48|11813|doi:10.1039/C9DT02012H
CCDC 1884097: Experimental Crystal Structure Determination
Related Article: Alba D. Merinero, Alba Collado, Luis Casarrubios, Mar Gómez-Gallego, Carmen Ramírez de Arellano, Antonio Caballero, Fabiola Zapata, Miguel A. Sierra|2019|Inorg.Chem.|58|16267|doi:10.1021/acs.inorgchem.9b02813
CCDC 1915912: Experimental Crystal Structure Determination
Related Article: Encarnación Navarro-García, María D. Velasco, Fabiola Zapata, Antonio Bauzá, Antonio Frontera, Carmen Ramírez de Arellano, Antonio Caballero|2019|Dalton Trans.|48|11813|doi:10.1039/C9DT02012H
CCDC 1884096: Experimental Crystal Structure Determination
Related Article: Alba D. Merinero, Alba Collado, Luis Casarrubios, Mar Gómez-Gallego, Carmen Ramírez de Arellano, Antonio Caballero, Fabiola Zapata, Miguel A. Sierra|2019|Inorg.Chem.|58|16267|doi:10.1021/acs.inorgchem.9b02813
CCDC 1821490: Experimental Crystal Structure Determination
Related Article: Paula Sabater, Faviola Zapata, Pedro Molina, Ibon Alkorta, Jose Elguero, Antonio Caballero, Carmen Ramirez de Arellano|2018|Chem. Sel.|3|3855|doi:10.1002/slct.201800809
CCDC 1448934: Experimental Crystal Structure Determination
Related Article: Lidia Gonzalez, Fabiola Zapata, Antonio Caballero, Pedro Molina, Carmen Ramirez de Arellano, Ibon Alkorta, Jose Elguero|2016|Chem.-Eur.J.|22|7533|doi:10.1002/chem.201600379
CCDC 1448935: Experimental Crystal Structure Determination
Related Article: Lidia Gonzalez, Fabiola Zapata, Antonio Caballero, Pedro Molina, Carmen Ramirez de Arellano, Ibon Alkorta, Jose Elguero|2016|Chem.-Eur.J.|22|7533|doi:10.1002/chem.201600379