Search results for "binding"

showing 10 items of 3896 documents

Computational studies of biomolecular screening and interactions

2015

negative image-based screeningseulontamolecular dockingliganditlääkeaineetvirtual screeninglaskennallinen kemiabiomolekyylitmolecular dynamicscomputational drug discoverylääkesuunnittelukemialliset sidoksetlääkekemiatietokannatproteiinitvirtuaaliseulontabinding free energy
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Binding abilities of polyaminocyclodextrins: polarimetric investigations and biological assays.

2017

Three polyaminocyclodextrin materials, obtained by direct reaction between heptakis(6-deoxy-6-iodo)-β-cyclodextrin and the proper linear polyamines, were investigated for their binding properties, in order to assess their potential applications in biological systems, such as vectors for simultaneous drug and gene cellular uptake or alternatively for the protection of macromolecules. In particular, we exploited polarimetry to test their interaction with some model p-nitroaniline derivatives, chosen as probe guests. The data obtained indicate that binding inside the host cavity is mainly affected by interplay between Coulomb interactions and conformational restraints. Moreover, simultaneous i…

nitroanilineaminocyclodextrins; binding properties; nitroanilines; pDNA; polarimetry; supramolecular chemistrySupramolecular chemistryaminocyclodextrins010402 general chemistry01 natural sciencesFull Research Papersupramolecular chemistryaminocyclodextrinlcsh:QD241-441lcsh:Organic chemistrypDNABioassaybinding propertielcsh:Sciencepolarimetry010405 organic chemistryChemistryBinding propertiesOrganic ChemistryCationic polymerizationnitroanilines0104 chemical sciencesChemistrybinding propertiesPolynucleotideBiophysicslcsh:QpUC19Direct reactionMacromoleculeBeilstein journal of organic chemistry
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Recent experiments at the JYFLTRAP Penning trap

2020

AbstractThe JYFLTRAP double Penning trap mass spectrometer at the Ion Guide Isotope Separator On-Line (IGISOL) facility offers excellent possibilities for high-precision mass measurements of radioactive ions. Around 400 atomic masses, including around 50 isomeric states, have been measured since JYFLTRAP became operational. JYFLTRAP has also been used as a high-resolution mass separator for decay spectroscopy experiments as well as an ion counter for fission yield studies. In this contribution, an overview of recent activities at the JYFLTRAP Penning trap is given, with a focus on nuclei discussed in the PLATAN2019 meeting.

nuclear binding energymassaspektrometriaNuclear and High Energy PhysicstutkimuslaitteetFission product yieldMass spectrometry7. Clean energy01 natural sciencesIonNuclear physicsPhysics in General0103 physical sciencesPhysical and Theoretical Chemistry010306 general physicsSpectroscopyPhysicsIsotope010308 nuclear & particles physicsatomic masspenning trapCondensed Matter PhysicsPenning trapAtomic and Molecular Physics and OpticsAtomic massNuclear binding energyisomersydinfysiikkaHyperfine Interactions
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The role of SAXS and molecular simulations in 3D structure elucidation of a DNA aptamer against lung cancer

2021

Aptamers are short, single-stranded DNA or RNA oligonucleotide molecules that function as synthetic analogs of antibodies and bind to a target molecule with high specificity. Aptamer affinity entirely depends on its tertiary structure and charge distribution. Therefore, length and structure optimization are essential for increasing aptamer specificity and affinity. Here, we present a general optimization procedure for finding the most populated atomistic structures of DNA aptamers. Based on the existed aptamer LC-18 for lung adenocarcinoma, a new truncated LC-18 (LC-18t) aptamer LC-18t was developed. A three-dimensional (3D) shape of LC-18t was reported based on small-angle X-ray scattering…

oligonucleotideMolecular modelAptamer610RM1-950chemistry.chemical_compoundDrug DiscoveryA-DNAddc:610Binding siteOligonucleotideaptamerSAXSspatial structurelung adenocarcinomamolecular dynamicsProtein tertiary structurefragment molecular orbitalchemistrysmall-angle X-ray scatteringBiophysicsMolecular MedicineOriginal Articletertiary structureTherapeutics. Pharmacologymolecular simulationsDNAFragment molecular orbital
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DNA binding and biological activity of Cu(II) and Zn(II) complexes of a 2,5-diphenyl[1,3,4]oxadiazole macrocycle ligand.

2011

oxadiazole DNA bindingSettore CHIM/03 - Chimica Generale E InorganicaSettore CHIM/08 - Chimica Farmaceutica
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p73 deficiency results in impaired self renewal and premature neuronal differentiation of mouse neural progenitors independently of p53

2010

10 p.-5 fig.

p53Cancer ResearchGenotypeCellular differentiationImmunologyPopulationp73RegulatorBiologyCellular and Molecular NeuroscienceMiceNeurosphereAnimalsProgenitor celleducationCell ProliferationNeuronsNeural stem cellseducation.field_of_studyCell growthTumor Suppressor ProteinsNuclear ProteinsCell DifferentiationNeurodegenerative DiseasesTumor Protein p73Cell BiologyEmbryonic stem cellasymmetric divisionNeural stem cellCell biologyDNA-Binding ProteinsDifferentiationSelf-renewalOriginal ArticleTumor Suppressor Protein p53
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Function of odorant-binding proteins in the Drosophila melanogaster chemoreception

2017

National audience; Function of odorant-binding proteins in the Drosophila [i]melanogaster[/i] chemoreception. 18. rencontre du Club de neurobiologie des invertébrés

pichia pastorisanimal structures[ SDV.AEN ] Life Sciences [q-bio]/Food and Nutritioneducationodorant-binding proteinsdrosophila melanogasterhumanitiestestingCAFÉ assay[SDV.AEN] Life Sciences [q-bio]/Food and Nutritionprotéineessaiprotein[SDV.AEN]Life Sciences [q-bio]/Food and Nutritionhuman activitiespsychological phenomena and processeshealth care economics and organizationsfluorescent binding assays
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Indirect Selection against Antibiotic Resistance via Specialized Plasmid-Dependent Bacteriophages

2021

Antibiotic resistance genes of important Gram-negative bacterial pathogens are residing in mobile genetic elements such as conjugative plasmids. These elements rapidly disperse between cells when antibiotics are present and hence our continuous use of antimicrobials selects for elements that often harbor multiple resistance genes. Plasmid-dependent (or male-specific or, in some cases, pilus-dependent) bacteriophages are bacterial viruses that infect specifically bacteria that carry certain plasmids. The introduction of these specialized phages into a plasmid-abundant bacterial community has many beneficial effects from an anthropocentric viewpoint: the majority of the plasmids are lost whil…

plasmiditantibiotic resistancebacteriophageslcsh:Biology (General)conjugative plasmidsplasmid-dependentPerspectivepilus-bindingmale-specificlcsh:QH301-705.5bakteriofagitantibioottiresistenssi
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Self-Consistent Charge Density-Functional Tight-Binding Parametrization for Pt–Ru Alloys

2017

We present a self-consistent charge density-functional tight-binding (SCC-DFTB) parametrization for PtRu alloys, which is developed by employing a training set of alloy cluster energies and forces obtained from Kohn-Sham density-functional theory (DFT) calculations. Extensive simulations of a testing set of PtRu alloy nanoclusters show that this SCC-DFTB scheme is capable of capturing cluster formation energies with high accuracy relative to DFT calculations. The new SCC-DFTB parametrization is employed within a genetic algorithm to search for global minima of PtRu clusters in the range of 13-81 atoms and the emergence of Ru-core/Pt-shell structures at intermediate alloy compositions, consi…

platinaAlloy02 engineering and technologyengineering.material010402 general chemistry01 natural sciencesNanoclustersCondensed Matter::Materials ScienceTight bindingalloysPhysics::Atomic and Molecular ClustersCluster (physics)metalliseoksetplatinumPhysical and Theoretical Chemistryta116density functional theoryta114ChemistrytiheysfunktionaaliteoriaCharge densityCharge (physics)021001 nanoscience & nanotechnology0104 chemical sciencesMaxima and minimaClassical mechanicsChemical physicsengineeringnanohiukkasetnanoparticles0210 nano-technologyParametrizationThe Journal of Physical Chemistry A
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Zakres kognicji sądu w postępowaniu o wydanie wyroku łącznego. Glosa do postanowienia Sądu Najwyższego z 25.02.2020r., IV KK 78/19

2021

The commentary discusses the scope of the court's jurisdiction in the proceedings to issue a cumulative judgment. The author agrees with the Supreme Court's view that, in its cumulative judgment, a court should neither assess whether individual penalties imposed under separate judgments are correct, nor should it analyse the extent of culpability and the social harm caused by the acts. This is because the court's rulings on those matters, which are contained in the individual convicting judgments, are fina/ and binding. In the proceedings on issuing a cumulative judgment, the court only rules on what the cumulative pena/ty, which will ultimately be enforced, will be, white considering the i…

prawomocnośćcumulative pena/tycriminal proceedingskara łącznafina/ and binding nature of the judgmentproceedings on issuing a cumulative judgmentwyrok łącznycumulative judgmentpostępowanie karnepostępowanie w przedmiocie wydania wyroku łącznegoPrzegląd Sądowy
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