Search results for "acids"

showing 10 items of 3520 documents

Single-molecule magnetic behavior in a neutral terbium(III) complex of a picolinate-based nitronyl nitroxide free radical

2011

The terdentate anionic picolinate-based nitronyl nitroxide (picNN) free radical forms neutral and robust homoleptic complexes with rare earth-metal ions. The nonacoordinated Tb3+ complex Tb(picNN)3• 6H2O is a single-molecule magnet with an activation energy barrier Δ = 22.8 ± 0.5 K and preexponential factor τ0 = (5.5 ± 1.1) × 10-9 s. It shows magnetic hysteresis below 1 K. © 2011 American Chemical Society.

Models MolecularNitroxide mediated radical polymerizationFree RadicalsMolecular Structurechemistry.chemical_elementTerbiumActivation energyPicolinic acidIron Chelating AgentsMagnetic hysteresisPhotochemistryIonInorganic ChemistryMagneticsCrystallographychemistry.chemical_compoundchemistryOrganometallic CompoundsMoleculeNitric Oxide DonorsPhysical and Theoretical ChemistryHomolepticPicolinic AcidsTerbium
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Metalloporphyrin intercalation in liposome membranes: ESR study

2010

Liposomes characterized by membranes featuring diverse fluidity (liquid-crystalline and/or gel phase), prepared from egg yolk lecithin (EYL) and dipalmitoylphosphatidylcholine (DPPC), were doped with selected metalloporphyrins and the time-related structural and dynamic changes within the lipid double layer were investigated. Porphyrin complexes of Mg(II), Mn(III), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and the metal-free base were embedded into the particular liposome systems and tested for 350 h at 24°C using the electron spin resonance (ESR) spin probe technique. 5-DOXYL, 12-DOXYL, and 16-DOXYL stearic acid methyl ester spin labels were applied to explore the interior of the lipid bila…

Models MolecularOriginal PaperLiposomeMolecular StructureMetalloporphyrinsIntercalation (chemistry)Electron Spin Resonance SpectroscopyPorphyrinBiochemistryLipid bilayerSpin probeInorganic Chemistrychemistry.chemical_compoundCrystallographyMembranechemistryElectron spin resonanceDipalmitoylphosphatidylcholineLiposomesDensity functional theory calculationsOrganic chemistrylipids (amino acids peptides and proteins)Lipid bilayer phase behaviorLipid bilayerJBIC Journal of Biological Inorganic Chemistry
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Porphyrin-Based Design of Bioinspired Multitarget Quadruplex Ligands

2014

Secondary nucleic acid structures, such as DNA and RNA quadruplexes, are potential targets for cancer therapies. Ligands that interact with these targets could thus find application as anticancer agents. Synthetic G-quartets have recently found numerous applications, including use as bioinspired G-quadruplex ligands. Herein, the design, synthesis and preliminary biophysical evaluation of a new prototype multitarget G-quadruplex ligand, (PNA)PorphySQ, are reported, where peptidic nucleic acid guanine ((PNA)G) was incorporated in the porphyrin-templated synthetic G-quartet (PorphySQ). Using fluorescence resonance energy transfer (FRET)-melting experiments, PorphySQ was shown to possess enhanc…

Models MolecularPeptide Nucleic AcidsGuaninePorphyrinsStereochemistryGuanineLigands010402 general chemistryG-quadruplex01 natural sciencesBiochemistryStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundDrug Discovery[CHIM]Chemical SciencesStructure–activity relationshipheterocyclic compoundsGeneral Pharmacology Toxicology and PharmaceuticsBinding siteComputingMilieux_MISCELLANEOUS030304 developmental biologyPharmacology0303 health sciencesBinding SitesChemistryLigandOrganic ChemistryDNA0104 chemical sciencesG-QuadruplexesFörster resonance energy transferNucleic acidNucleic Acid ConformationRNAMolecular MedicineDNAChemMedChem
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News from an Ancient World: Two Novel Astacin Metalloproteases from the Horseshoe Crab

2008

In this work, we report the cloning, heterologous expression, and characterization of two novel astacin proteases from the chelicerate Limulus polyphemus (horseshoe crab), designated as LAST (Limulus astacin) and LAST_MAM (Limulus astacin containing a MAM domain), respectively. The expression pattern showed ubiquitous occurrence of LAST_MAM, while LAST was predominantly restricted to the eyes and brain, indicating a function in the nervous system. Both enzymes contain the characteristic metzincin-type zinc-binding region and Met turn. While LAST is made up only of the typical prodomain and astacin-like protease domain, LAST_MAM contains an additional MAM (meprin A5 protein tyrosine phosphat…

Models MolecularProteasesDNA ComplementaryInsectaProtein familymedicine.medical_treatmentMolecular Sequence DataContext (language use)Protein tyrosine phosphataseBiologyHydroxamic AcidsNervous SystemCollagen Type IGene Expression Regulation EnzymologicCell LineEvolution MolecularStructural BiologyHorseshoe CrabsmedicineAnimalsProtein oligomerizationAmino Acid SequenceRNA MessengerCloning MolecularMolecular BiologyPhylogenyExtracellular Matrix ProteinsProteaseBase SequenceCaseinsMetalloendopeptidasesbiology.organism_classificationProtein Structure TertiaryBiochemistryStructural Homology ProteinLimulusAstacinOligopeptidesProtein Processing Post-TranslationalJournal of Molecular Biology
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Synthesis and Inhibitory Studies of Phosphonic Acid Analogues of Homophenylalanine and Phenylalanine towards Alanyl Aminopeptidases.

2020

A library of novel phosphonic acid analogues of homophenylalanine and phenylalanine, containing fluorine and bromine atoms in the phenyl ring, have been synthesized. Their inhibitory properties against two important alanine aminopeptidases, of human (hAPN, CD13) and porcine (pAPN) origin, were evaluated. Enzymatic studies and comparison with literature data indicated the higher inhibitory potential of the homophenylalanine over phenylalanine derivatives towards both enzymes. Their inhibition constants were in the submicromolar range for hAPN and the micromolar range for pAPN, with 1-amino-3-(3-fluorophenyl) propylphosphonic acid (compound 15c) being one of the best low-molecular inhibitors …

Models MolecularProtein Conformation alpha-HelicalMolecular modelStereochemistryPhosphorous AcidsSwinePhenylalaninelcsh:QR1-502PhenylalanineCD13 Antigenscomputer-aided simulationsInhibitory postsynaptic potential01 natural sciencesBiochemistrylcsh:MicrobiologyArticlePhenylalanine derivativesSubstrate SpecificitySmall Molecule Libraries03 medical and health sciencesStructure-Activity RelationshipAnimalsHumansProtein Interaction Domains and MotifsEnzyme Inhibitorsphosphonic acid inhibitorsMolecular Biology030304 developmental biologyAlaninechemistry.chemical_classification0303 health sciencesInhibitory potentialBinding Sites010405 organic chemistryChemistryAminobutyratesFluorineBromine0104 chemical sciencesIsoenzymesKineticsEnzymehuman and porcine alanine aminopeptidasefluorine and bromine substitutionThermodynamicsProtein Conformation beta-StrandProtein BindingBiomolecules
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The Protein Structure Context of PolyQ Regions.

2016

Proteins containing glutamine repeats (polyQ) are known to be structurally unstable. Abnormal expansion of polyQ in some proteins exceeding a certain threshold leads to neurodegenerative disease, a symptom of which are protein aggregates. This has led to extensive research of the structure of polyQ stretches. However, the accumulation of contradictory results suggests that protein context might be of importance. Here we aimed to evaluate the structural context of polyQ regions in proteins by analysing the secondary structure of polyQ proteins and their homologs. The results revealed that the secondary structure in polyQ vicinity is predominantly random coil or helix. Importantly, the region…

Models MolecularProtein Conformation alpha-HelicalProtein Structure ComparisonProtein StructureSaccharomyces cerevisiae ProteinsGlutaminelcsh:MedicineNerve Tissue ProteinsSaccharomyces cerevisiaePlant ScienceResearch and Analysis MethodsBiochemistryPlant Roots570 Life sciencesDatabase and Informatics MethodsProtein Structure DatabasesMacromolecular Structure AnalysisHumansProtein Interaction Domains and MotifsAmino AcidsDatabases ProteinProtein Interactionslcsh:ScienceMolecular BiologyMediator ComplexOrganic CompoundsPlant AnatomyAcidic Amino AcidsOrganic Chemistrylcsh:RChemical CompoundsBiology and Life SciencesProteinsRoot StructureChemistryBiological DatabasesProtein-Protein InteractionsPhysical Scienceslcsh:QStructural ProteinsProtein Structure DeterminationPeptidesResearch Article570 BiowissenschaftenPLoS ONE
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The non-bilayer lipid MGDG stabilizes the major light-harvesting complex (LHCII) against unfolding.

2017

Abstract In the photosynthetic apparatus of plants a high proportion of LHCII protein is needed to integrate 50% non-bilayer lipid MGDG into the lamellar thylakoid membrane, but whether and how the stability of the protein is also affected is not known. Here we use single-molecule force spectroscopy to map the stability of LHCII against mechanical unfolding along the polypeptide chain as a function of oligomerization state and lipid composition. Comparing unfolding forces between monomeric and trimeric LHCII demonstrates that the stability does not increase significantly upon trimerization but can mainly be correlated with specific contact sites between adjacent monomers. In contrast, unfol…

Models MolecularProtein ConformationScienceGalactolipidsQRLight-Harvesting Protein ComplexesPeasThylakoidsArticle580 Pflanzen (Botanik)Medicinelipids (amino acids peptides and proteins)580 Botanical sciencesPlant ProteinsProtein UnfoldingScientific reports
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Evidence for Water-Tuned Structural Differences in Proteins: An Approach Emphasizing Variations in Local Hydrophilicity

2012

We present experimental evidence for the significant effect that water can have on the functional structure of proteins in solution. Human (HSA) and Bovine Serum Albumin (BSA) have an amino acid sequence identity of 75.52% and are chosen as model proteins. We employ EPR-based nanoscale distance measurements using double electron-electron resonance (DEER) spectroscopy and both albumins loaded with long chain fatty acids (FAs) in solution to globally (yet indirectly) characterize the tertiary protein structures from the bound ligands' points of view. The complete primary structures and crystal structures of HSA and as of recently also BSA are available. We complement the picture as we have re…

Models MolecularProtein StructureMedical PhysicsNon-Clinical MedicineProtein ConformationMaterials ScienceBiophysicsMolecular Conformationlcsh:MedicineElectronsLigandsBiochemistryPhysical ChemistryAnalytical ChemistryMacromolecular Structure AnalysisAnimalsHumanslcsh:ScienceBiologySerum AlbuminQuantum MechanicsPhysicslcsh:RFatty AcidsElectron Spin Resonance SpectroscopyProteinsComputational BiologyWaterSerum Albumin BovineProtein Structure Tertiarybody regionsChemistrySpectrophotometryInterdisciplinary PhysicsMedicinelcsh:QMaterials CharacterizationCattleMedicinal ChemistryHydrophobic and Hydrophilic InteractionsResearch ArticleProtein BindingPLoS ONE
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Novel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes

2015

In the present study, we introduce novel 3D protein descriptors based on the bilinear algebraic form in the ℝn space on the coulombic matrix. For the calculation of these descriptors, macromolecular vectors belonging to ℝn space, whose components represent certain amino acid side-chain properties, were used as weighting schemes. Generalization approaches for the calculation of inter-amino acidic residue spatial distances based on Minkowski metrics are proposed. The simple- and double-stochastic schemes were defined as approaches to normalize the coulombic matrix. The local-fragment indices for both amino acid-types and amino acid-groups are presented in order to permit characterizing fragme…

Models MolecularProtein structural classesMathematical parametersProtein functionQuantitative Structure-Activity RelationshipBilinear interpolationQuantitative structure activity relation3D protein descriptorBilinear formProceduresChemical structureStatistical parametersMinkowski spaceProtein analysisAmino AcidsPriority journalMathematicsInterpretabilityQuantitative Biology::BiomoleculesApplied MathematicsStatistical parameterValidation studyGeneral MedicineComputer simulationDiscriminant analysisReproducibilityAmino acidAlgorithmChemistryProtein conformationModeling and SimulationStatistical modelGeneral Agricultural and Biological SciencesBiological systemAmino acid analysisAlgorithmsNonbiological modelStatistics and ProbabilityCorrelation coefficientLDAMacromolecular SubstancesMarkov chainMacromoleculeStructure analysisModels BiologicalArticleGeneral Biochemistry Genetics and Molecular BiologyCombinatoricsStochastic processesBilinear formBiologyMatrixGeneral Immunology and MicrobiologyProteinCoulombic matrixComputational BiologyProteinsReproducibility of ResultsLinear discriminant analysisWeightingCorrelation coefficientProtein structureBiological modelLinear ModelsThree-dimensional modelingJournal of Theoretical Biology
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Monolayer curvature stabilizes nanoscale raft domains in mixed lipid bilayers

2013

According to the lipid raft hypothesis, biological lipid membranes are laterally heterogeneous and filled with nanoscale ordered "raft" domains, which are believed to play an important role for the organization of proteins in membranes. However, the mechanisms stabilizing such small rafts are not clear, and even their existence is sometimes questioned. Here we report the observation of raft-like structures in a coarse-grained molecular model for multicomponent lipid bilayers. On small scales, our membranes demix into a liquid ordered (lo) and a liquid disordered (ld) phase. On large scales, phase separation is suppressed and gives way to a microemulsion-type state that contains nanometer si…

Models MolecularQuantitative Biology - Subcellular ProcessesLiquid ordered phaseLipid BilayersFOS: Physical sciencesCondensed Matter - Soft Condensed Matter010402 general chemistry01 natural sciences03 medical and health sciencesMembrane MicrodomainsPhase (matter)MonolayerLipid bilayer phase behaviorPhysics - Biological PhysicsLipid bilayerLipid raftSubcellular Processes (q-bio.SC)030304 developmental biology0303 health sciencesMultidisciplinaryChemistryRaftElasticity0104 chemical sciencesCrystallographyMembraneModels ChemicalBiological Physics (physics.bio-ph)FOS: Biological sciencesPhysical SciencesBiophysicsSoft Condensed Matter (cond-mat.soft)lipids (amino acids peptides and proteins)
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