Search results for "combinatorial"

showing 10 items of 1208 documents

Cut-off method for endogeny of recursive tree processes

2016

Given a solution to a recursive distributional equation, a natural (and non-trivial) question is whether the corresponding recursive tree process is endogenous. That is, whether the random environment almost surely defines the tree process. We propose a new method of proving endogeny, which applies to various processes. As explicit examples, we establish endogeny of the random metrics on non-pivotal hierarchical graphs defined by multiplicative cascades and of mean-field optimization problems as the mean-field matching and travelling salesman problems in pseudo-dimension q>1.

[MATH.MATH-PR]Mathematics [math]/Probability [math.PR]endogenyrandom metrics[MATH.MATH-PR] Mathematics [math]/Probability [math.PR]Primary 60E05 60B10 60E15. Secondary 81T20 82B44 90C27Probability (math.PR)FOS: Mathematics60E05 60B10 60E15 81T20 82B44 90C27recursive distributional equationsmean-field combinatorial optimization[ MATH.MATH-PR ] Mathematics [math]/Probability [math.PR]Mathematics - Probability
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A Push-Pull Mechanism Helps Design Highly Competent G-Quadruplex-DNA Catalysts

2021

International audience; Massive efforts are currently being invested to improve the performance, versatility, and scope of applications of nucleic acid catalysts. G-quadruplex (G4)/hemin DNAzymes are of particular interest owing to their structural programmability and chemical robustness. However, optimized catalytic efficiency is still bottleneck and the activation mechanism is unclear. Herein, we have designed a series of parallel G4s with different proximal cytosine (dC) derivatives to fine-tune the hemin-binding pocket for G4-DNAzymes. Combining theoretical and experimental methods, we have assessed the dependence of catalytic enhancement on the electronic properties of proximal dCs and…

[SDV.BIO]Life Sciences [q-bio]/BiotechnologyDNAzymeDeoxyribozyme010402 general chemistryG-quadruplex01 natural sciencesCatalysischemistry.chemical_compoundPush–pull mechanismG-quadruplex010405 organic chemistryChemistryMechanism (biology)Robustness (evolution)[CHIM.CATA] Chemical Sciences/CatalysisGeneral Chemistry[CHIM.CATA]Chemical Sciences/CatalysisCombinatorial chemistry0104 chemical sciences[SDV.BIO] Life Sciences [q-bio]/Biotechnology[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistryNucleic acidHeminDNAHeminElectron density
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The noncovalent dimerization of a G-quadruplex/hemin DNAzyme improves its biocatalytic properties.

2020

While many protein enzymes exert their functions through multimerization, which improves both selectivity and activity, this has not yet been demonstrated for other naturally occurring catalysts. Here, we report a multimerization effect applied to catalytic DNAs (or DNAzymes) and demonstrate that the enzymatic efficiency of G-quadruplexes (GQs) in interaction with the hemin cofactor is remarkably enhanced by homodimerization. The resulting non-covalent dimeric GQ–DNAzyme system provides hemin with a structurally defined active site in which both the cofactor (hemin) and the oxidant (H2O2) are activated. This new biocatalytic system efficiently performs peroxidase- and peroxygenase-type biot…

[SDV.BIO]Life Sciences [q-bio]/BiotechnologyDeoxyribozyme010402 general chemistryG-quadruplex01 natural sciencesCofactor03 medical and health scienceschemistry.chemical_compoundheterocyclic compounds030304 developmental biologychemistry.chemical_classification0303 health sciencesbiologyChemistryActive siteGeneral Chemistry[CHIM.CATA]Chemical Sciences/CatalysisCombinatorial chemistry[SDE.ES]Environmental Sciences/Environmental and Society0104 chemical sciencesChemistryEnzymebiology.proteinSelectivityPeroxidaseHeminChemical science
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Biotechnological applications of the sepiolite interactions with bacteria: Bacterial transformation and DNA extraction

2020

International audience; Among the various clay minerals, sepiolite, which is a natural nanofibrous silicate that exhibit a poor cell toxicity, is a potential promising nanocarrier for the non-viral and stable transfer of plasmid DNA into bacteria, mammalian and human cells. We first show here that sepiolite binds to bacteria, which can be useful in decontamination protocols. In a previous research we have shown that is possible to modulate the efficiency of the absorption of different types of DNA molecules onto sepiolite, and that the DNA previously adsorbed could be recovered preserving the DNA structure and biological activity. Taking advantage of both, the sepiolite/bacteria and sepioli…

[SDV.BIO]Life Sciences [q-bio]/Biotechnology[SDV]Life Sciences [q-bio]Sepiolite020101 civil engineering02 engineering and technology[SDV.BBM.BM] Life Sciences [q-bio]/Biochemistry Molecular Biology/Molecular biology0201 civil engineeringchemistry.chemical_compoundAdsorptionPlasmidPlasmid extractionGeochemistry and Petrology[CHIM]Chemical SciencesComputingMilieux_MISCELLANEOUSBacterial transformation[PHYS]Physics [physics]Bionanohybrids[CHIM.MATE] Chemical Sciences/Material chemistrybiologyChemistrySepioliteGeology[SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry Molecular Biology/Molecular biologyDNA[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnologybiology.organism_classificationNanomaterialCombinatorial chemistryDNA extraction[SDV.BIO] Life Sciences [q-bio]/BiotechnologySepiolite Bionanohybrids Nanomaterial DNA Bacterial transformation Plasmid extractionNanocarriers0210 nano-technologyBacteriaDNATransformation efficiency
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Di-tert-butyl Phosphonate Route to the Antiviral Drug Tenofovir

2021

Di-tert-butyl oxymethyl phosphonates were investigated regarding their suitability for preparing the active pharmaceutical ingredient tenofovir (PMPA). First, an efficient and simple access to the crystalline di-tert-butyl(hydroxymethyl)phosphonate was developed. O-Mesylation gave high yields of the active phosphonomethylation reagent. For the synthesis of tenofovir, a two-step sequence was developed using Mg(OtBu)2 as the base for the alkylation of (R)-9-(2-hydroxypropyl)adenine. Subsequent deprotection could be achieved with aqueous acids. (Di-tert-butoxyphosphoryl)methyl methanesulfonate showed to be the most efficient electrophile tested, affording PMPA in 72% yield on a 5 g scale. The …

adefovirTert butylActive ingredientTenofovir010405 organic chemistrymedicine.drug_classOrganic Chemistryoxymethyl phosphonates010402 general chemistry01 natural sciencesCombinatorial chemistryPhosphonateArticletenofovir0104 chemical scienceschemistry.chemical_compoundantiviralschemistryphosphitesmedicineAdefovirPhysical and Theoretical ChemistryAntiviral drugmedicine.drugOrganic Process Research & Development
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Tuning the Basicity of Synergic Bimetallic Reagents: Switching the Regioselectivity of the Direct Dimetalation of Toluene from 2,5‐ to 3,5‐Positions

2008

Meta-meta metalation: Remarkably, toluene can be directly dimanganated or dimagnesiated at the 3,5-positions using bimetallic bases with active Me3SiCH2 ligands (see scheme, blue). In contrast, n-butyl ligands lead to 2,5-metalation (red). tmp=2,2,6,6-tetramethylpiperidide.

alkali metalsMetalationInorganic chemistrychemistry.chemical_elementManganesemetalationmagnesium010402 general chemistry01 natural sciencesCatalysischemistry.chemical_compoundinverse crown compoundsBimetallic strip010405 organic chemistryRegioselectivityGeneral ChemistryGeneral MedicineAlkali metalCombinatorial chemistryTolueneCommunications3. Good health0104 chemical scienceschemistryReagentmanganeseAngewandte Chemie
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Dipeptides of S-Substituted Dehydrocysteine as Artzyme Building Blocks: Synthesis, Complexing Abilities and Antiproliferative Properties †

2021

Background: Dehydropeptides are analogs of peptides containing at least one conjugate double bond between α,β-carbon atoms. Its presence provides unique structural properties and reaction centre for chemical modification. In this study, the series of new class of dipeptides containing S-substituted dehydrocysteine with variety of heterocyclic moieties was prepared. The compounds were designed as the building blocks for the construction of artificial metalloenzymes (artzymes). Therefore, the complexing properties of representative compounds were also evaluated. Furthermore, the acknowledged biological activity of natural dehydropeptides was the reason to extend the study for antiproliferativ…

antiproliferative activityBALB 3T3 CellsDouble bondPotentiometric titrationSulforhodamine BTriazoleAntineoplastic Agents010402 general chemistry01 natural sciencesCatalysisArticlelcsh:ChemistryInorganic ChemistryMiceStructure-Activity Relationshipchemistry.chemical_compoundElimination reactionCell Line TumorAnimalsHumansChelationCysteinePhysical and Theoretical Chemistrydehydrocysteinelcsh:QH301-705.5Molecular BiologySpectroscopyCell Proliferationchemistry.chemical_classification010405 organic chemistryOrganic ChemistryChemical modificationDipeptidesGeneral MedicineHydrogen-Ion ConcentrationCombinatorial chemistryEnzymes0104 chemical sciencesComputer Science Applicationsdehydropeptideslcsh:Biology (General)lcsh:QD1-999chemistrycomplexing agentaddition-elimination reactionDrug Screening Assays AntitumorCopperConjugateInternational Journal of Molecular Sciences
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Polycationic Monomeric and Homodimeric Asymmetric Monomethine Cyanine Dyes with Hydroxypropyl Functionality—Strong Affinity Nucleic Acids Binders

2021

New analogs of the commercial asymmetric monomethine cyanine dyes thiazole orange (TO) and thiazole orange homodimer (TOTO) with hydroxypropyl functionality were synthesized and their properties in the presence of different nucleic acids were studied. The novel compounds showed strong, micromolar and submicromolar affinities to all examined DNA ds-polynucleotides and poly rA–poly rU. The compounds studied showed selectivity towards GC-DNA base pairs over AT-DNA, which included both binding affinity and a strong fluorescence response. CD titrations showed aggregation along the polynucleotide with well-defined supramolecular chirality. The single dipyridinium-bridged dimer showed intercalatio…

antiproliferative activityCircular dichroismSupramolecular chiralityDimerIntercalation (chemistry)cyanine dye010402 general chemistry01 natural sciencesBiochemistryMicrobiologyArticlechemistry.chemical_compoundCell Line TumorHumansCyanineDNA bindingColoring AgentsBiologyMolecular BiologyBinding Sites010405 organic chemistrycyanine dye ; DNA binding ; RNA binding ; fluorescence ; circular dichroism ; antiproliferative activityDNARNA bindingCombinatorial chemistryQR1-502Intercalating Agents3. Good health0104 chemical sciencescircular dichroismchemistryPolynucleotideNucleic acidcyanine dye; DNA binding; RNA binding; fluorescence; circular dichroism; antiproliferative activityfluorescenceDNA
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Asymmetric synthesis of functionalized tetrahydrofluorenones via an NHC-catalyzed homoenolate Michael addition

2018

The first example of an N-heterocyclic carbene-catalyzed asymmetric desymmetrization of enal-tethered cyclohexadienones via an intramolecular homoenolate Michael addition/esterification reaction is described. This new protocol offers a direct entry to various functionalized tetrahydrofluorenones with three contiguous stereocenters in high yields, good diastereoselectivities and excellent enantioselectivities.

aromaattiset yhdisteet010402 general chemistry01 natural sciencesDesymmetrizationCatalysisStereocenterCatalysisDirect entryMaterials Chemistryta116kemiallinen synteesi010405 organic chemistryChemistryaromatic compoundsMetals and AlloysEnantioselective synthesisGeneral ChemistryCombinatorial chemistry0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIntramolecular forceCeramics and CompositesMichael reactionEsterification reactionchemical synthesisChemical Communications
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Asymmetric Organocatalytic Wittig [2,3]-Rearrangement of Oxindoles

2016

A highly enantioselective organocatalytic [2,3]-rearrangement of oxindole derivatives is presented. The reaction was catalyzed by squaramide, and this provides access to 3-hydroxy 3-substituted oxindoles in high enantiomeric purities.

asymmetric organocatalytic wittigIndolesStereoisomerism010402 general chemistry01 natural sciencesBiochemistryCatalysisCatalysischemistry.chemical_compoundCombinatorial Chemistry TechniquesOrganic chemistryOxindolePhysical and Theoretical Chemistryta116Molecular Structure010405 organic chemistryOrganic ChemistrySquaramideEnantioselective synthesisStereoisomerismAmidesOxindoles0104 chemical scienceschemistryWittig reactionEnantiomerOrganic Letters
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