Search results for "polymers"

showing 10 items of 3567 documents

Keyhole limpet hemocyanin: 9-A CryoEM structure and molecular model of the KLH1 didecamer reveal the interfaces and intricate topology of the 160 fun…

2008

Abstract Hemocyanins are blue copper-containing respiratory proteins in the hemolymph of many arthropods and molluscs. Molluscan hemocyanins are decamers, didecamers, or multidecamers of a 340- to 400-kDa polypeptide subunit containing seven or eight globular functional units (FUs; FU-a to FU-h), each with an oxygen-binding site. The decamers are short 35-nm hollow cylinders, with their lumen narrowed by a collar complex. Our recently published 9-A cryo-electron microscopy/crystal structure hybrid model of a 3.4-MDa cephalopod hemocyanin decamer [Nautilus pompilius hemocyanin (NpH)] revealed the pathway of the seven-FU subunit (340 kDa), 15 types of inter-FU interface, and an asymmetric col…

Models MolecularMolecular modelbiologySequence Homology Amino AcidCryo-electron microscopyProtein subunitmedicine.medical_treatmentCryoelectron MicroscopyMolecular Sequence DataOxygen transportHemocyaninCrystallographyBiopolymersStructural BiologyHemolymphHemocyaninsmedicinebiology.proteinAnimalsProtein quaternary structureAmino Acid SequenceMolecular BiologyKeyhole limpet hemocyaninJournal of molecular biology
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How molecular knots can pass through each other

2014

We propose a mechanism in which two molecular knots pass through each other and swap positions along a polymer strand. Associated free energy barriers in our simulations only amount to a few $k_{B}T$, which may enable the interchange of knots on a single DNA strand.

Models MolecularMultidisciplinaryComputersPolymersChemistryFOS: Physical sciencesBiomolecules (q-bio.BM)DNACondensed Matter - Soft Condensed MatterMolecular physicsNanostructuresDiffusionMolecular dynamicsCrystallographyQuantitative Biology - BiomoleculesBiological Physics (physics.bio-ph)FOS: Biological sciencesPhysical SciencesNucleic Acid ConformationThermodynamicsSoft Condensed Matter (cond-mat.soft)Physics - Biological Physics
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Multifunctional coordination polymers based on copper with modified nucleobases, easily modulated in size and conductivity.

2019

This Accepted Manuscript will be available for reuse under a CC BY-NC-ND licence after 24 months of embargo period

Models MolecularNanoprocessingCoordination polymerPolymersSupramolecular chemistrychemistry.chemical_elementConductivity010402 general chemistry01 natural sciencesBiochemistryOxalateNucleobaseInorganic Chemistrychemistry.chemical_compoundBipyridineCoordination ComplexesCoordination polymerNucleobasesMolecular Structure010405 organic chemistryChemistryHydrogen bondQuímicaCopperMagnetic and electrical properties0104 chemical sciencesCrystallographyCopperJournal of inorganic biochemistry
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Double-Network-Structured Graphene Oxide-Containing Nanogels as Photothermal Agents for the Treatment of Colorectal Cancer.

2017

Here, we reported the production of hyaluronic acid/polyaspartamide-based double-network nanogels for the potential treatment of colorectal carcinoma. Graphene oxide, thanks to the huge aromatic surface area, allows to easily load high amount of irinotecan (33.0% w/w) and confers to the system hyperthermic properties when irradiated with a near-infrared (NIR) laser beam. We demonstrate that the release of antitumor drug is influenced both by the pH of the external medium and the NIR irradiation process. In vitro biological studies, conducted on human colon cancer cells (HCT 116), revealed that nanogels are uptaken by the cancer cells and, in the presence of the antitumor drug, can produce a…

Models MolecularPolymers and PlasticsColorectal cancerInfrared RaysProtein ConformationNanogelsBioengineeringNanotechnologyAntineoplastic Agents02 engineering and technology010402 general chemistry01 natural scienceslaw.inventionPolyethylene GlycolsBiomaterialschemistry.chemical_compoundgraphene oxide hydrogel nenogel cancer therapylawHyaluronic acidMaterials ChemistrymedicineCytotoxic T cellHumansPolyethyleneimineHyaluronic AcidGrapheneChemistryOxidesPhotothermal therapy021001 nanoscience & nanotechnologymedicine.diseaseHCT116 CellsIn vitro0104 chemical sciencesIrinotecanPhotochemotherapyCancer cellCancer researchGraphite0210 nano-technologyColorectal Neoplasmsmedicine.drugBiomacromolecules
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Detecting ni(ii) in aqueous solution by 3-(2-pyridyl)-[1,2,3]triazolo[1,5-a]pyridine and dimethyl-beta-cyclodextrin

2013

Abstract A new supramolecular sensitizer for nickel(II) ion in aqueous solution based on a pyridyltriazolopyridine-cyclodextrin inclusion complex is proposed. The inclusion complexation behavior, characterization and binding ability of pyridyltriazolopyridine (PTP) with dimethyl-β-cyclodextrin (DMβCD) has been investigated both in solution and solid state by means of absorption, fluorescence, 1H NMR, DSC, and molecular modeling methods. The stoichiometry of the inclusion complex is 1:1, and the thermodynamic studies indicate that the inclusion of PTP is mainly an entropic driven process. The 2D NMR studies revealed that the pyridyl-triazolopyridine is included by both sides of cyclodextrin …

Models MolecularPolymers and PlasticsPyridinesSupramolecular chemistryAnalytical chemistryMolecular ConformationDivalentchemistry.chemical_compoundNickelPyridineMaterials Chemistrychemistry.chemical_classificationAqueous solutionCyclodextrinChemistryOrganic Chemistrybeta-CyclodextrinsWaterTriazolesSolutionsProton NMRPhysical chemistrySelectivityTwo-dimensional nuclear magnetic resonance spectroscopyWater Pollutants ChemicalEnvironmental Monitoring
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Stepwise sequential redox potential modulation possible on a single platform.

2011

Step by step: The cluster [3,3'-Co(1,2-C(2)B(9)H(11))(2)](-) is an excellent platform for making a stepwise tunable redox potential system by dehydroiodination. With the addition of up to eight iodine substituents (purple; see picture), there is a fall in the E(1/2)(Co(III)/Co(II)) value from -1.80 V to -0.68 V (vs. Fc(+)/Fc; Fc = ferrocene). A practical application of this tunability has been observed in the growth of polypyrrole.

Models MolecularPolymersInorganic chemistryGeneral MedicineGeneral ChemistryCobaltPolypyrroleCrystallography X-RayElectron transport chainRedoxCatalysisCrystallographychemistry.chemical_compoundFerrocenechemistryModulationOrganometallic CompoundsPyrrolesFullerenesBoranesOxidation-ReductionAngewandte Chemie (International ed. in English)
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Semiconductive and Magnetic One-Dimensional Coordination Polymers of Cu(II) with Modified Nucleobases

2013

Four new copper(II) coordination complexes, obtained by reaction of CuX2 (X = acetate or chloride) with thymine-1-acetic acid and uracil-1-propionic acid as ligands, of formulas [Cu(TAcO)2(H2O)4]·4H2O (1), [Cu(TAcO)2(H2O)2]n (2), [Cu3(TAcO)4(H2O)2(OH)2]n·4H2O (3), and [Cu3(UPrO)2Cl2(OH)2(H2O)2]n (4) (TAcOH = thymine-1-acetic acid, UPrOH = uracil-1-propionic acid) are described. While 1 is a discrete complex, 2-4 are one-dimensional coordination polymers. Complexes 2-4 present dc conductivity values between 10(-6) and 10(-9) S/cm(-1). The magnetic behavior of complex 2 is typical for almost isolated Cu(II) metal centers. Moderate-weak antiferromagnetic interactions have been found in complex…

Models MolecularPolymersInorganic chemistrychemistry.chemical_elementChlorideNucleobaseInorganic ChemistryMetalMagneticsCoordination ComplexesmedicineAntiferromagnetismPhysical and Theoretical Chemistrychemistry.chemical_classificationMolecular StructureNucleotidesPolymerInductive couplingCopperCrystallographySemiconductorschemistrySuperexchangevisual_artvisual_art.visual_art_mediumCoppermedicine.drugInorganic Chemistry
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Expanding the 2, 2’-bipyrimidine bridged 1D homonuclear coordination polymers family: [MIIbpymCl2] (M=Fe, Co) magnetic and structural characterization

2013

One pot reaction of hydrated chloride salts of Fe(II) and Co(II) with stoichiometric amounts of 2, 2’-bipyrimidine (bpym) in a methanol/ acetonitrile mixture afforded the corresponding 1D homonuclear coordination polymers, [μ-(bpym)MCl2]n. Crystal structures of both complexes are isomorphous in the highly symmetric orthorhombic space group Fddd. The 1D coordination polymers are composed of almost orthogonal alternating bipyrimidine bridges linking the {MCl2} units. The magnetic behaviour of the Fe(II)compound can be well understood as a uniform S=2 chain with antiferromagnetic exchange interaction between metal ion sites. In the case of the Co(II) ion, also an antiferromagnetic interaction …

Models MolecularPolymersStereochemistryIronCrystal structureQuímica Inorgánica y NuclearHomonuclear moleculeIonInorganic ChemistryMetalCiencias Naturales y ExactasOrganometallic CompoundsAntiferromagnetismMolecular StructureChemistryMagnetic PhenomenaExchange interactionCiencias QuímicasCobaltCrystallographyPyrimidinesvisual_artvisual_art.visual_art_mediumOrthorhombic crystal systemno correspondeSpin canting
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Effect of temperature and ligand protonation on the electronic ground state in Cu( ii ) polymers having unusual secondary interactions: a magnetic an…

2018

International audience; Two new copper(II) polymeric complexes, {[Cu(HPymat)(H2O)](NO3)}n (1) and [Cu2(Pymat)2(H2O)3]n (2), have been synthesized using the Schiff base ligand H2Pymat [H2Pymat = (E)-2-(1-(pyridin-2-yl)-methyleneamino)terephthalic acid]. Complex 1 is a cationic 1D polymer, whereas complex 2 is a two dimensional polymer. Both complexes were crystallographically, spectroscopically and magnetically characterized. Theoretical studies were performed and the catecholase activity of the complexes was also examined. Complex 1 is a ferromagnetically coupled complex with J = 2.8 cm−1 and 2 shows antiferromagnetic coupling with J = −1.6 cm−1. Both complexes show notable features in the …

Models MolecularPolymerschemistry.chemical_elementProtonation010402 general chemistryCrystallography X-RayLigands01 natural scienceslaw.inventionInorganic Chemistrychemistry.chemical_compoundlawCoordination ComplexesMolecule[CHIM]Chemical SciencesElectron paramagnetic resonanceSchiff baseMolecular Structure010405 organic chemistryLigandMagnetic PhenomenaTemperatureTwo-dimensional polymer[CHIM.MATE]Chemical Sciences/Material chemistryHydrogen-Ion ConcentrationCopper0104 chemical sciencesCrystallography[CHIM.POLY]Chemical Sciences/PolymerschemistryQuantum TheoryProtonsGround stateCatechol OxidaseCopper
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The structure of Yersinia pestis Caf1 polymer in free and adjuvant bound states

2010

Caf1 of the plague bacterium, Yersinia pestis is a polymeric virulence factor and vaccine component, formed from monomers by a donor strand exchange (DSE) mechanism. Here, EM images of Caf1 reveal flexible polymers up to 1.5 microm long (4MDa). The bead-like structures along the polymer are 5.8 + or - 1 nm long and correspond to single Caf1 proteins. Short polymers often form circles, presumably by DSE. We also provide the first images of proteins bound to alhydrogel adjuvant. Caf1, hemocyanin and anthrax PA are all resolved clearly and Caf1 exhibits adjuvant bound stretches with long intervening loops draped from the edges.

Models MolecularProtein FoldingPolymersVirulence FactorsYersinia pestismedicine.medical_treatmentVirulence factorMicrobiologychemistry.chemical_compoundProtein structureAdjuvants ImmunologicBacterial ProteinsMicroscopy Electron TransmissionmedicineProtein Structure QuaternaryBacterial Capsuleschemistry.chemical_classificationAntigens BacterialPlaguePlague VaccineGeneral VeterinaryGeneral Immunology and MicrobiologybiologyPublic Health Environmental and Occupational HealthHemocyaninPolymerbiology.organism_classificationInfectious DiseasesMonomerYersinia pestischemistryBiophysicsMolecular MedicinePlague vaccineProtein foldingVaccine
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