0000000001301780

AUTHOR

Antonio Caballero

showing 14 related works from this author

Host–Guest Chemistry: Oxoanion Recognition Based on Combined Charge‐Assisted C−H or Halogen‐Bonding Interactions and Anion⋅⋅⋅Anion Interactions Media…

2016

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 …

chemistry.chemical_classificationHalogen bond010405 organic chemistryChemistryHydrogen bondStereochemistryArylOrganic ChemistryGeneral Chemistry010402 general chemistryElectrochemistry01 natural sciencesCatalysis0104 chemical sciencesIonCrystallographychemistry.chemical_compoundHalogenNon-covalent interactionsHost–guest chemistryChemistry – A European Journal
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Synthesis, Structure and Anion Sensing Properties of a Dicationic Bis(imidazolium)-Based Cyclophane

2018

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 .

AnionsPhysics010405 organic chemistryGeneral Chemistry010402 general chemistry01 natural sciencesMedicinal chemistryHydrogen bonds0104 chemical scienceschemistry.chemical_compoundchemistryImidazoliumCyclophaneSensorCyclophaneChemistrySelect
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Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions

2019

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…

DenticityHalogen bondAbsorption spectroscopy010405 organic chemistryChemistry14-Naphthoquinone010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryCrystallographychemistry.chemical_compoundBinding siteSulfateReceptorAnion bindingDalton Transactions
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Removal of primary tumor improves survival in metastatic breast cancer. Does timing of surgery influence outcomes?

2010

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…

medicine.medical_specialtyTime FactorsBreast surgerymedicine.medical_treatmentBreast NeoplasmsmedicineHumansNeoplasm MetastasisMastectomySurvival analysisNeoplasm StagingRetrospective StudiesUnivariate analysisPerformance statusbusiness.industryCarcinoma Ductal BreastGeneral MedicineMiddle Agedmedicine.diseaseDebulkingSurvival AnalysisPrimary tumorMetastatic breast cancerSurgeryCarcinoma LobularTreatment OutcomeSpainFemaleSurgerybusinessMastectomyThe Breast
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Triazole-Containing [FeFe] Hydrogenase Mimics: Synthesis and Electrocatalytic Behavior

2019

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...

Hydrogenase010405 organic chemistryTriazole010402 general chemistry01 natural sciencesCombinatorial chemistryCycloaddition0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundchemistryReagentAzidePhysical and Theoretical ChemistryInorganic Chemistry
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2,4,5-Trimethylimidazolium Scaffold for Anion Recognition Receptors Acting Through Charge-Assisted Aliphatic and Aromatic C–H Interactions

2016

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…

chemistry.chemical_classificationAnthraceneProton010405 organic chemistryStereochemistryOrganic ChemistryNuclear magnetic resonance spectroscopy010402 general chemistryRing (chemistry)01 natural sciences0104 chemical sciences3. Good healthIonCrystallographychemistry.chemical_compoundchemistryNon-covalent interactionsDensity functional theoryMethyleneThe Journal of Organic Chemistry
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CCDC 1456591: Experimental Crystal Structure Determination

2016

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

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters3-(9-Anthrylmethyl)-1-((6-((3-(9-anthrylmethyl)-245-trimethyl-1H-imidazol-3-ium-1-yl)methyl)pyridin-2-yl)methyl)-245-trimethyl-1H-imidazol-3-ium hexafluorophosphate acetonitrile solvateExperimental 3D Coordinates
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CCDC 1915911: Experimental Crystal Structure Determination

2019

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

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetrabutylammonium 3-iodo-14-dioxo-14-dihydronaphthalen-2-olateExperimental 3D Coordinates
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CCDC 1884097: Experimental Crystal Structure Determination

2019

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

Space GroupCrystallographyCrystal SystemCrystal Structure(mu-[(4-azidophenyl)azanediyl]bis(methanethiolato))-hexacarbonyl-di-ironCell ParametersExperimental 3D Coordinates
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CCDC 1915912: Experimental Crystal Structure Determination

2019

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

Space GroupCrystallographyCrystal Systemtetrabutylammonium 3-carboxybenzoateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1884096: Experimental Crystal Structure Determination

2019

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

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu-[(4-{4-[2-(6-phenyl-9H-purin-9-yl)ethyl]-1H-123-triazol-1-yl}phenyl)azanediyl]bis(methanethiolato))-hexacarbonyl-di-ironExperimental 3D Coordinates
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CCDC 1821490: Experimental Crystal Structure Determination

2018

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

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters22101119192728-octamethyl-1229-diaza-926-diazonianonacyclo[29.3.1.137.1912.11418.12024.12629.0434.01721]tetraconta-1(35)3(40)469(39)1014(38)151720(37)212326(36)273133-hexadecaene dihexafluorophosphateExperimental 3D Coordinates
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CCDC 1448934: Experimental Crystal Structure Determination

2016

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

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-methyl-3-(2-((2'-(2-(3-methyl-4-phenyl-1H-123-triazol-3-ium-1-yl)ethoxy)-11'-binaphthalen-2-yl)oxy)ethyl)-5-phenyl-1H-123-triazol-3-ium dihydrogen diphosphate methanol solvate hydrateExperimental 3D Coordinates
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CCDC 1448935: Experimental Crystal Structure Determination

2016

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

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates5-iodo-1-(2-((2'-(2-(5-iodo-3-methyl-4-phenyl-1H-123-triazol-3-ium-1-yl)ethoxy)-11'-binaphthalen-2-yl)oxy)ethyl)-3-methyl-4-phenyl-1H-123-triazol-3-ium tetrafluoroborate hemikis(sulfate)
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