Search results for "TERT"

showing 10 items of 1210 documents

Global stability of protein folding from an empirical free energy function

2013

The principles governing protein folding stand as one of the biggest challenges of Biophysics. Modeling the global stability of proteins and predicting their tertiary structure are hard tasks, due in part to the variety and large number of forces involved and the difficulties to describe them with sufficient accuracy. We have developed a fast, physics-based empirical potential, intended to be used in global structure prediction methods. This model considers four main contributions: Two entropic factors, the hydrophobic effect and configurational entropy, and two terms resulting from a decomposition of close-packing interactions, namely the balance of the dispersive interactions of folded an…

Statistics and ProbabilityProtein FoldingEmpirical potential for proteinsConfiguration entropyPROTCALBioinformaticsGeneral Biochemistry Genetics and Molecular BiologyForce field (chemistry)Protein structureStatistical physicsDatabases ProteinQuantitative Biology::BiomoleculesModels StatisticalFoldXGeneral Immunology and MicrobiologyApplied MathematicsProteinsReproducibility of ResultsGeneral MedicineProtein tertiary structureProtein Structure TertiaryPrediction of protein folding stabilityModeling and SimulationLinear ModelsThermodynamicsProtein foldingGeneral Agricultural and Biological SciencesStatistical potentialAlgorithmsSoftwareTest dataJournal of Theoretical Biology
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Non-self-adjoint Hamiltonians with complex eigenvalues

2016

Motivated by what one observes dealing with PT-symmetric quantum mechanics, we discuss what happens if a physical system is driven by a diagonalizable Hamiltonian with not all real eigenvalues. In particular, we consider the functional structure related to systems living in finite-dimensional Hilbert spaces, and we show that certain intertwining relations can be deduced also in this case if we introduce suitable antilinear operators. We also analyze a simple model, computing the transition probabilities in the broken and in the unbroken regime.

Statistics and ProbabilityPure mathematicsDiagonalizable matrixPhysical systemFOS: Physical sciencesGeneral Physics and Astronomyintertwining relation01 natural sciencesModeling and simulationPhysics and Astronomy (all)symbols.namesakePT-quantum mechanic0103 physical sciencesMathematical Physic010306 general physicsSettore MAT/07 - Fisica Matematicaantilinear operatorMathematical PhysicsEigenvalues and eigenvectorsMathematicsQuantum Physics010308 nuclear & particles physicsHilbert spaceStatistical and Nonlinear PhysicsProbability and statisticsMathematical Physics (math-ph)Modeling and SimulationsymbolsQuantum Physics (quant-ph)Hamiltonian (quantum mechanics)Self-adjoint operatorStatistical and Nonlinear PhysicJournal of Physics A: Mathematical and Theoretical
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Mathematical aspects of intertwining operators: the role of Riesz bases

2010

In this paper we continue our analysis of intertwining relations for both self-adjoint and not self-adjoint operators. In particular, in this last situation, we discuss the connection with pseudo-hermitian quantum mechanics and the role of Riesz bases.

Statistics and ProbabilityQuantum PhysicsComputer scienceGeneral Physics and AstronomyFOS: Physical sciencesStatistical and Nonlinear PhysicsRiesz basesMathematical Physics (math-ph)Intertwining operatorMathematics::Spectral TheoryConnection (mathematics)AlgebraModeling and SimulationQuantum Physics (quant-ph)Settore MAT/07 - Fisica MatematicaMathematical PhysicsSelf-adjoint operator
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Synthesis and Characterization of New Bivalent Agents as Melatonin- and Histamine H3-Ligands

2014

Melatonin is an endogenous molecule involved in many pathophysiological processes. In addition to the control of circadian rhythms, its antioxidant and neuroprotective properties have been widely described. Thus far, different bivalent compounds composed by a melatonin molecule linked to another neuroprotective agent were synthesized and tested for their ability to block neurodegenerative processes in vitro and in vivo. To identify a novel class of potential neuroprotective compounds, we prepared a series of bivalent ligands, in which a prototypic melatonergic ligand is connected to an imidazole-based H3 receptor antagonist through a flexible linker. Four imidazolyl-alkyloxy-anilinoethylami…

StereochemistryHistamine AntagonistsLigandsMelatonin receptorMT<sub>2</sub>ArticleCatalysisInorganic Chemistrylcsh:ChemistryHistamine receptorPiperidinesH<sub>3</sub> antagonistsHumansReceptors Histamine H3Physical and Theoretical ChemistryBinding siteReceptormelatonin receptorMolecular Biologylcsh:QH301-705.5SpectroscopyBinding SitesReceptor Melatonin MT2ChemistryReceptor Melatonin MT1MT1Organic ChemistryMT2ImidazolesHistaminergicMT<sub>1</sub>General Medicinemelatonin receptor; MT1; MT2; H3 antagonists; bivalent ligandsLigand (biochemistry)Protein Structure TertiaryComputer Science ApplicationsMelatonergicMolecular Docking SimulationBiochemistrylcsh:Biology (General)lcsh:QD1-999bivalent ligandsHistamine H3 receptorH3 antagonistsProtein BindingInternational Journal of Molecular Sciences
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Diastereoselective synthesis of enantiomeric tertiary alcohols via nucleophilic additions to protected D- and L-erythrulose derivatives

1992

Abstract The diastereoselectivity of the addition of several organometallic reagents to the carbonyl group of protected D - and L -erythrulose derivatives has been investigated. Tertiary alcohols are stereoselectively formed, the diastereomeric ratio being markedly dependent on the reagent type, solvent and temperature.

StereochemistryOrganic ChemistryDiastereomerErythruloseL-ERYTHRULOSECatalysisInorganic ChemistrySolventchemistry.chemical_compoundchemistryNucleophileReagentPhysical and Theoretical ChemistryEnantiomerTertiary alcoholsTetrahedron: Asymmetry
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Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids

2009

Cutting carbons: The three-dimensional structure of polyneuridine aldehyde esterase (PNAE) gives insight into the enzymatic mechanism of the biosynthesis of C(9)- from C(10)-monoterpenoid indole alkaloids (see scheme). PNAE is a very substrate-specific serine esterase. It harbors the catalytic triad S87-D216-H244, and is a new member of the alpha/beta-fold hydrolase superfamily. Its novel function leads to the diversification of alkaloid structures.

Stereochemistrychemistry [Secologanin Tryptamine Alkaloids]polyneuridine aldehyde esterasePolyneuridine-aldehyde esteraseCatalysisSubstrate SpecificityEnzyme catalysischemistry.chemical_compoundProtein structureBiosynthesisHydrolaseCatalytic triadmetabolism [Mutant Proteins]Indole testchemistry.chemical_classificationGeneral ChemistrySecologanin Tryptamine AlkaloidsProtein Structure Tertiarymetabolism [Carboxylic Ester Hydrolases]metabolism [Secologanin Tryptamine Alkaloids]EnzymeAmino Acid SubstitutionchemistryBiochemistryddc:540BiocatalysisMutant ProteinsCarboxylic Ester HydrolasesAngewandte Chemie International Edition
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Chlorodicyclohexylborane-mediated aldol additions of alpha,alpha'-dioxygenated ketones.

2001

Boron aldol additions of variously O-protected alpha,alpha'-dioxygenated ketones using dicyclohexylboron chloride and a tertiary amine have been investigated. The stereoselectivity of the process was dependent on the protecting group on the alpha-oxygen atoms. Notably, ketones with bulky silyloxy groups gave syn aldols, most likely via Z enolates. This rules out the participation of chelates during the enolization process, at least in the presence of such sterically crowded protecting groups. An alternative explanation is offered.

Steric effectsTertiary amineChemistryStereochemistryOrganic ChemistryKeto–enol tautomerismBiochemistryChlorideAldol reactionmedicineChelationStereoselectivityPhysical and Theoretical ChemistryProtecting groupmedicine.drugOrganic letters
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New data on the taxonomy of the endemic myomiminae (gliridae, rodentia) from the late miocene-early pliocene of gargano (southern Italy) with the des…

2009

The Late Miocene-Early Pliocene “Terre Rosse” vertebrate assemblages, found in the palaeokarst fissure fillings of the Apricena-Poggio Imperiale limestone quarries (North-Western side of the Gargano promontory, southern Italy), document a very long and complex history of endemic populations of a palaeoarchipelago. That history developed in at least four populating phases, which are characterised by changes in faunal diversity and include taxa with different degree of endemism. They have been subject of several studies since the beginning of the 1970s and deserve a particular attention for their evolutionary and palaeogeographical implications. The sampling of the “Terre Rosse” fissure filli…

StertomysGliridaeGarganoEndemisnIinsularityNew speciesSettore GEO/01 - Paleontologia E Paleoecologia
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Work-related stress of elementary school principals in Finland: Coping strategies and support

2021

The present study aimed to investigate elementary school principals’ self-reported causes of work-related stress, their coping strategies to deal with stress and the support they need for their leadership. Seventy-six principals filled in the questionnaire, which included open-ended questions. Qualitative content analysis was used to analyse the data. The results showed that the main sources of stress were workload, interpersonal conflicts, a lack of resources and internal pressures. Moreover, principals used emotion-focused, problem-focused and social coping to deal with stress. Additionally, principals reported a need for problem-focused support and social support for their leadership. T…

Strategy and Managementprincipalstyöhyvinvointisosiaalinen tukiWork related stresscoping strategiesrehtorit050105 experimental psychologyEducationDevelopmental psychologyhenkinen hyvinvointi:Samfunnsvitenskap: 200::Pedagogiske fag: 280 [VDP]Stress (linguistics)arbeidsrelatert stress0501 psychology and cognitive sciencesstressinhallintasupportutdanningsvitenskap05 social sciencesesihenkilötyö050301 educationstressieducational leaderstyön kuormittavuusjaksaminenOccupational stress:Samfunnsvitenskap: 200::Psykologi: 260 [VDP]Psychology0503 educationoccupational stress
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(Strept)avidin as host for biotinylated coordination complexes: stability, chiral discrimination, and cooperativity

2005

Incorporation of a biotinylated ruthenium tris(bipyridine) [Ru(bpy)₂(Biot-bpy)]²⁺ (1) in either avidin or streptavidin-(strept)avidin-can be conveniently followed by circular dichroism spectroscopy. To determine the stepwise association constants, cooperativity, and chiral discrimination properties, diastereopure (Λ and δ)-1 species were synthesized and incorporated in tetrameric (strept)avidin to afford (δ-[Ru(bpy)₂(Biot-bpy)]²⁺)x⊂avidin, (Λ- [Ru(bpy)₂(Biot-bpy)]²⁺)x⊂avidin, (δ-[Ru(bpy)₂(Biot- bpy)]²⁺)x⊂streptavidin, and (Λ-[Ru(bpy)₂(Biot-bpy)]²⁺) x⊂streptavidin (x = 1-4) For these four systems, the overall stability constants are log β₄ = 28.6, 30.3, 36.2, and 36.4, respectively. Critical…

StreptavidinCircular dichroismProtein ConformationStereochemistryBiotinchemistry.chemical_elementCooperativity010402 general chemistry01 natural sciencesInorganic ChemistryStructure-Activity RelationshipBipyridinechemistry.chemical_compound22'-DipyridylBacterial ProteinsBiotinCoordination ComplexesBiotinylation[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryComputingMilieux_MISCELLANEOUSMolecular Structurebiology010405 organic chemistry[ CHIM.COOR ] Chemical Sciences/Coordination chemistryAvidinProtein Structure Tertiary0104 chemical sciencesRuthenium[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographychemistryBiotinylation[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistrybiology.proteinStreptavidinAvidin
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