Search results for "combinatorial"

showing 10 items of 1208 documents

Synthetic strategy for preparation of a folate corrole DOTA heterobimetallic Cu–Gd complex as a potential bimodal contrast agent in medical imaging

2015

Abstract An efficient sequential route to synthesize heterobimetallic complexes is reported herein. A folate, Cu corrole, Gd DOTA complex that addresses the requirements of a potential contrast agent (CA) for bimodal imaging (e.g., MRI/PET) is reported. The over-expression of the folate receptor in a variety of malignant tumors, along with its limited expression in healthy tissues, makes this an attractive tumor-specific molecular target. Synthesis of a bimetallic ligand potentially targeting the folate receptor, was easily achieved in only a few steps. Interestingly, preliminary studies showed that the relaxivity of the folic heterobimetallic derivative was higher in comparison to a clinic…

StereochemistryGadoliniumMRI contrast agentOrganic Chemistrychemistry.chemical_elementLigand (biochemistry)BiochemistryCombinatorial chemistryImaging agentchemistry.chemical_compoundchemistryIn vivoFolate receptorDrug DiscoveryDOTACorroleTetrahedron Letters
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Design of Porphyrin-dota-Like Scaffolds as All-in-One Multimodal Heterometallic Complexes for Medical Imaging

2013

A series of four multimodal ligands incorporating one porphyrin moiety and one or more dota-like macrocycles all-in-one in the same molecular architecture have been synthesized and full characterized. The corresponding gadolinium(III) complexes were also synthesized and heterometallic complexes incorporating both gadolinium(III) and copper(II) ions were prepared as potential MRI/PET multimodal contrast agents. One ligand (L4) includes an amine moiety that can be activated for easy conversion into an isothiocyanate group for further anchoring to a biological vector. Preliminary relaxivity, cytotoxicity, and MRI studies showed that the complexes developed in this work are very promising medic…

StereochemistryLigandGadoliniumOrganic Chemistrychemistry.chemical_elementMri studiesCombinatorial chemistryPorphyrinchemistry.chemical_compoundchemistryIsothiocyanateDOTAMoietyAmine gas treatingPhysical and Theoretical ChemistryEuropean Journal of Organic Chemistry
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Template synthesis of multi-macrocycles by metathesis reaction.

2004

Selective heterodimerisation of tetraurea calix[4]arenes containing four or eight ω-alkenyl groups with a tetratosyl urea calix[4]arene has been effectively used to synthesize multi-macrocycles via metathesis reaction.

StereochemistryMetals and AlloysGeneral ChemistryTemplate synthesisCombinatorial chemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundchemistryMaterials ChemistryCeramics and CompositesSalt metathesis reactionUreaChemical communications (Cambridge, England)
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Modular functionalized polyphosphines for supported materials: previously unobserved (31)P-NMR «through-space» ABCD spin systems and heterogeneous pa…

2014

The modular design of polyphosphines, diversely functionalized for facile immobilization on virtually any kind of support, is reported. Previously unobserved ABCD (31)P NMR spin-spin systems evidence the control exercised on the polyphosphines conformation. We illustrate the catalytic performance at low Pd loading of the recyclable immobilized polyphosphines in C-C bond formation reactions.

StereochemistryMetals and Alloyschemistry.chemical_elementGeneral ChemistryBond formationCombinatorial chemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCatalysischemistryMaterials ChemistryCeramics and CompositesSpin (physics)PalladiumChemical communications (Cambridge, England)
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Fluoroquinolone–metal complexes: A route to counteract bacterial resistance?

2014

Abstract Microbial resistance to antibiotics is one of the biggest public health threats of the modern world. Antibiotic resistance is an area of much clinical relevance and therefore research that has the potential to identify agents that may circumvent it or treat resistant infections is paramount. Solution behavior of various fluoroquinolone (FQ) complexes with copper(II) in the presence and absence of 1,10-phenanthroline (phen) was studied in aqueous solution, by potentiometry and/or spectrophotometry, and are herein described. The results obtained showed that under physiological conditions (micromolar concentration range and pH 7.4) only copper(II):FQ:phen ternary complexes are stable.…

Stereochemistrychemistry.chemical_elementInfrared spectroscopyMicrobial Sensitivity TestsCrystallography X-RayBiochemistryInorganic ChemistryMetalMinimum inhibitory concentrationCoordination ComplexesSpectrophotometryDrug Resistance BacterialEscherichia colimedicineMoleculeAqueous solutionmedicine.diagnostic_testChemistryCombinatorial chemistryCoppervisual_artvisual_art.visual_art_mediumTernary operationCopperFluoroquinolonesPhenanthrolinesJournal of Inorganic Biochemistry
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Versatile synthesis of cationic N-heterocyclic carbene–gold(i) complexes containing a second ancillary ligand. Design of heterobimetallic ruthenium–g…

2016

We describe a versatile and quick route to cationic gold(i) complexes containing N-heterocyclic carbenes and a second ancillary ligand (such as phosphanes, phosphites, arsines and amines) of interest for the synthesis of compounds with potential catalytic and medicinal applications. The general synthetic strategy has been applied in the preparation of novel cationic heterobimetallic ruthenium(ii)-gold(i) complexes that are highly cytotoxic to renal cancer Caki-1 and colon cancer HCT 116 cell lines while showing a synergistic effect and being more selective than their monometallic counterparts.

Stereochemistrychemistry.chemical_elementLigands010402 general chemistry01 natural sciencesArticleRutheniumCatalysisCatalysischemistry.chemical_compoundHeterocyclic CompoundsCationsMaterials Chemistry010405 organic chemistryChemistryLigandSecond ancillaryMetals and AlloysCationic polymerizationGeneral ChemistryCombinatorial chemistry0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsRutheniumCeramics and CompositesGoldMethaneCarbeneChemical Communications
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Peptide Metal–Organic Frameworks for Enantioselective Separation of Chiral Drugs

2017

We report the ability of a chiral Cu(II) 3D MOF based on the tripeptide Gly-L-His-Gly (GHG) for the enantioselective separation of metamphetamine and ephedrine. Monte Carlo simulations suggest that chiral recognition is linked to preferential binding of one of the enantiomers as result of either stronger or additional H-bonds with the framework that lead to energetically more stable diastereomeric adducts. Solid phase extraction (SPE) of a racemic mixture by using Cu(GHG) as extractive phase permits isolating more than 50% of the (+)-ephedrine enantiomer as target compound in only four minutes. To the best of our knowledge, this represents the first example of a MOF capable of separating ch…

StereoisomerismTripeptideMolecular Dynamics Simulation010402 general chemistry01 natural sciencesBiochemistryCatalysisMethamphetamineColloid and Surface ChemistryOrganic chemistryMoleculeMetal-Organic FrameworksEphedrineMolecular Structure010405 organic chemistryChemistryDiastereomerEnantioselective synthesisStereoisomerismQuímicaGeneral ChemistryCombinatorial chemistry0104 chemical sciences13. Climate actionRacemic mixtureMetal-organic frameworkPèptidsEnantiomerPeptidesMonte Carlo MethodCopperJournal of the American Chemical Society
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Towards Waltheriones C and D: Synthesis of the Oxabicyclic Core

2017

A route to the oxabicyclic cores of the HIV cytoprotective quinolone alkaloids, waltheriones C and D, is described. The approach relies on a stereospecific transannular bromoetherification followed by reductive debromination. The route can also be rendered enantioselective via enzymatic reduction of a key intermediate (>99:1 er).

Stereospecificity010405 organic chemistryChemistryStereochemistryOrganic ChemistryEnantioselective synthesisHuman immunodeficiency virus (HIV)medicine010402 general chemistrymedicine.disease_cause01 natural sciencesCombinatorial chemistry0104 chemical sciencesSynlett
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Overcoming Steric Hindrance in Aryl‐Aryl Homocoupling via On‐Surface Copolymerization

2019

On-surface synthesis is a unique tool for growing low-dimensional carbon nanomaterials with precise structural control down to the atomic level. This novel approach relies on carefully designed precursor molecules, which are deposited on suitable substrates and activated to ultimately form the desired nanostructures. One of the most applied reactions to covalently interlink molecular precursors is dehalogenative aryl-aryl coupling. Despite the versatility of this approach, many unsuccessful attempts are also known, most of them associated to the poor capability of the activated precursors to couple to each other. Such failure is often related to the steric hindrance between reactants, which…

Steric effectsArylIntermolecular force02 engineering and technologyConjugated system010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesCombinatorial chemistryAtomic and Molecular Physics and Optics0104 chemical sciencesNanomaterialschemistry.chemical_compoundAdsorptionchemistryCovalent bond540 ChemistryCopolymer570 Life sciences; biologyPhysical and Theoretical Chemistry0210 nano-technologyChemPhysChem
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Direct High-Performance Liquid Chromatographic Separation of Peptide Enantiomers:  Study on Chiral Recognition by Systematic Evaluation of the Influe…

2002

All-R/all-S enantiomers of oligoalanines (Ala(n), n = 1-10) with N-terminal protection group have been separated by HPLC on chiral stationary phases based on various cinchona alkaloid selectors. Structure-enantioselectivity relationships derived by extensive selector structure optimization provided insights into binding mechanisms and chiral recognition. Their interpretation was supported by X-ray crystal structures of amino acid and dipeptide, respectively, in complex with chiral selector. Optimized selectors have bulky elements representing steric barriers and deep binding pockets that afforded very high enantioselectivities; e.g., for the all-R and all-S enantiomers of N-(3,5-dinitrobenz…

Steric effectsDipeptidebiologyChemistryStereochemistryCinchona AlkaloidsMolecular ConformationCinchonaStereoisomerismStereoisomerismbiology.organism_classificationSensitivity and SpecificityCombinatorial chemistryAnalytical ChemistryChiral column chromatographyStructure-Activity Relationshipchemistry.chemical_compoundEnantiomerPeptidesPhthalazineChiral derivatizing agentChromatography High Pressure LiquidProtein BindingAnalytical Chemistry
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