Search results for "CF"

showing 10 items of 701 documents

Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional netwo…

2009

11 pags, 6 figs. -- 19th International Conference on Physical Organic Chemistry (ICPOC-19) 13–18 July 2008, Santiago de Compostela, Spain

SingletComputational chemistryIcosahedral symmetryChemistryCASPT2General Chemical EngineeringComputationQuantum chemical computationsMolecular architectureGeneral ChemistryElectronic structureCASSCFDFTElectronic structuresTripletBiradicalsDianionsComputational chemistryAtomCarboraneSinglet stateDimersCarboranes
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The mitotic kinase Aurora-A promotes distant metastases by inducing epithelial-to-mesenchymal transition in ERα+ breast cancer cells

2013

In this study, we demonstrate that constitutive activation of Raf-1 oncogenic signaling induces stabilization and accumulation of Aurora-A mitotic kinase that ultimately drives the transition from an epithelial to a highly invasive mesenchymal phenotype in estrogen receptor α-positive (ERα(+)) breast cancer cells. The transition from an epithelial- to a mesenchymal-like phenotype was characterized by reduced expression of ERα, HER-2/Neu overexpression and loss of CD24 surface receptor (CD24(-/low)). Importantly, expression of key epithelial-to-mesenchymal transition (EMT) markers and upregulation of the stemness gene SOX2 was linked to acquisition of stem cell-like properties such as the ab…

Smad5 ProteinCancer ResearchEpithelial-Mesenchymal TransitionMAP Kinase Signaling SystemReceptor ErbB-2Active Transport Cell NucleusEstrogen receptorMice NudeBreast NeoplasmsBiologyArticleMicebreast cancerSOX2Cell MovementCell Line TumorGeneticsAnimalsHumansEpithelial–mesenchymal transitionKinase activityNeoplasm MetastasisPhosphorylationRNA Small InterferingMolecular BiologyAurora Kinase Ametastases mitosisSOXB1 Transcription FactorsEstrogen Receptor alphaCD24 AntigenXenograft Model Antitumor AssaysstemneGene Expression Regulation NeoplasticProto-Oncogene Proteins c-rafSettore BIO/18 - GeneticaTumor progressionembryonic structuresCancer researchMCF-7 CellsNeoplastic Stem CellsProto-Oncogene Proteins c-rafFemaleRNA InterferenceSignal transductionEstrogen receptor alphaNeoplasm Transplantation
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Tackling the Limitations of Copolymeric Small Interfering RNA Delivery Agents by a Combined Experimental–Computational Approach

2019

Despite the first successful applications of nonviral delivery vectors for small interfering RNA in the treatment of illnesses, such as the respiratory syncytial virus infection, the preparation of a clinically suitable, safe, and efficient delivery system still remains a challenge. In this study, we tackle the drawbacks of the existing systems by a combined experimental-computational in-depth investigation of the influence of the polymer architecture over the binding and transfection efficiency. For that purpose, a library of diblock copolymers with a molar mass of 30 kDa and a narrow dispersity (Đ1.12) was synthesized. We studied in detail the impact of an altered block size and/or compos…

Small interfering RNAPolymers and PlasticsBioengineering02 engineering and technologyComputational biologyBiology010402 general chemistry01 natural sciencesVirusBiomaterialsDrug Delivery SystemsText miningMaterials ChemistryHumansComputer SimulationRNA Small Interferingbusiness.industryRNA021001 nanoscience & nanotechnology0104 chemical sciencesHEK293 CellsModels ChemicalMCF-7 Cells0210 nano-technologybusinessHeLa CellsBiomacromolecules
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The molecular profiling of solid tumors by liquid biopsy: a position paper of the AIOM–SIAPEC-IAP–SIBioC–SIC–SIF Italian Scientific Societies

2021

The term liquid biopsy (LB) refers to the use of various biological fluids as a surrogate for neoplastic tissue to achieve information for diagnostic, prognostic and predictive purposes. In the current clinical practice, LB is used for the identification of driver mutations in circulating tumor DNA derived from both tumor tissue and circulating neoplastic cells. As suggested by a growing body of evidence, however, there are several clinical settings where biological samples other than tissue could be used in the routine practice to identify potentially predictive biomarkers of either response or resistance to targeted treatments. New applications are emerging as useful clinical tools, and o…

Societies ScientificCancer ResearchContext (language use)ReviewNeoplastic CellsBioinformaticsCirculating tumor cellCirculatingBiomarkers TumorMedicineHumansDigital polymerase chain reactionLiquid biopsycfDNAcirculating tumor DNAcfDNA; circulating cell-free DNA; circulating tumor DNA; ctDNA; digital PCR; liquid biopsy; next-generation sequencing; real-time PCRTumorCirculating Neoplastic Cellsliquid biopsybusiness.industrydigital PCRScientificctDNAcirculating cell-free DNANeoplastic Cells CirculatingCirculating Cell-Free DNAcfDNA; circulating cell-free DNA; circulating tumor DNA; ctDNA; digital PCR; liquid biopsy; next-generation sequencing; real-time PCR; Biomarkers Tumor; Humans; Italy; Liquid Biopsy; Neoplastic Cells Circulating; Societies ScientificOncologyItalyCirculating tumor DNAPosition papernext-generation sequencingSocietiesbusinessreal-time PCRBiomarkersHuman
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Supercritical hydrothermal synthesis of ZnO nanopowders beyond the critical point : understanding of nucleation and growth steps

2014

The supercritical hydrothermal synthesis of nanopowders (especially metal oxide) has been widely studied. To the best of our knowledge, no nanoparticle formation mechanism has been published yet. In this prospect, this study is dedicated to the understanding of metal oxide nanoparticle nucleation and growth mechanisms. For this purpose, zinc oxide is used as a model material. First, the influence of synthesis operating conditions such as pressure, temperature, pH, precursor concentrations and solution flow rates on particle morphological properties (size, particle size distribution or morphologies) has been investigated. Hence, two approaches have simultaneously been carried out. The first …

SolubilitéMécanismeNanoparticulesFormationGrowth[PHYS.PHYS.PHYS-CHEM-PH] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]SolubilityZnOMechanismsNucleationNanoparticlesSCWEau supercritiqueNucléationCFDCroissanceSupercritical water
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Visualization of RNA-Quadruplexes in Live Cells

2015

Visualization of DNA and RNA quadruplex formation in human cells was demonstrated recently with different quadruplex-specific antibodies. Despite the significant interest in these immunodetection approaches, dynamic detection of quadruplex in live cells remains elusive. Here, we report on NaphthoTASQ (N-TASQ), a next-generation quadruplex ligand that acts as a multiphoton turn-on fluorescent probe. Single-step incubation of human and mouse cells with N-TASQ enables the direct detection of RNA-quadruplexes in untreated cells (no fixation, permeabilization or mounting steps), thus offering a unique, unbiased visualization of quadruplexes in live cells.

Static ElectricityMelanoma ExperimentalLigands010402 general chemistryG-quadruplex01 natural sciencesBiochemistryCatalysisMice03 medical and health scienceschemistry.chemical_compoundColloid and Surface ChemistryBiomimeticsCationsCell Line TumorFluorescence Resonance Energy TransferAnimalsHumans[CHIM]Chemical Sciences[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular Biologyheterocyclic compoundsComputingMilieux_MISCELLANEOUSChelating AgentsFluorescent Dyes030304 developmental biologyPhotons[SDV.GEN]Life Sciences [q-bio]/Genetics0303 health sciencesbiologyChemistryRNADNAGeneral ChemistryFluorescenceMolecular biology3. Good health0104 chemical sciencesCell biologyVisualizationG-QuadruplexesFörster resonance energy transferMicroscopy FluorescenceCell cultureMCF-7 Cellsbiology.proteinRNAAntibodyDNAJournal of the American Chemical Society
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Mass-flux-based outlet boundary conditions for the lattice Boltzmann method

2009

We present outlet boundary conditions for the lattice Boltzmann method. These boundary conditions are constructed with a mass-flux-based approach. Conceptually, the mass-flux-based approach provides a mathematical framework from which specific boundary conditions can be derived by enforcing given physical conditions. The object here is, in particular, to explain the mass-flux-based approach. Furthermore, we illustrate, transparently, how boundary conditions can be derived from the emerging mathematical framework. For this purpose, we derive and present explicitly three outlet boundary conditions. By construction, these boundary conditions have an apparent physical interpretation which is fu…

Statistics and ProbabilityMathematical analysisMason–Weaver equationBoundary conformal field theoryStatistical and Nonlinear PhysicsDifferent types of boundary conditions in fluid dynamicsSingular boundary methodBoundary knot methodBoundary conditions in CFDFree boundary problemBoundary value problemStatistical physicsStatistics Probability and UncertaintyMathematicsJournal of Statistical Mechanics: Theory and Experiment
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Gold(I) Biscarbene Complexes Derived from Vascular-Disrupting Combretastatin A-4 Address Different Targets and Show Antimetastatic Potential

2014

Gold N-heterocyclic carbene (NHC) complexes are an emerging class of anticancer drugs. We present a series of gold(I) biscarbene complexes with NHC ligands derived from the plant metabolite combretastatin A-4 (CA-4) that retain its vascular-disrupting effect, yet address different cellular and protein targets. Unlike CA-4, these complexes did not interfere with tubulin, but with the actin cytoskeleton of endothelial and cancer cells. For the highly metastatic 518A2 melanoma cell line this effect was accompanied by a marked accumulation of cells in the G1 phase of the cell cycle and a suppression of active prometastatic matrix metalloproteinase-2. Despite these mechanistic differences the co…

StereochemistryNeovascularization PhysiologicAntineoplastic AgentsBiologyBiochemistryMicechemistry.chemical_compoundCoordination ComplexesTubulinCell Line TumorBibenzylsDrug DiscoveryHuman Umbilical Vein Endothelial CellsAnimalsHumansGeneral Pharmacology Toxicology and PharmaceuticsMelanomaCell ProliferationPharmacologyCombretastatin A-4Tube formationCombretastatinMice Inbred BALB COrganic ChemistryCell cycleActin cytoskeletonG2 Phase Cell Cycle CheckpointsActin CytoskeletonChorioallantoic membranechemistryDrug Resistance NeoplasmCell cultureCancer cellMCF-7 CellsCancer researchMolecular MedicineGoldHT29 CellsMethaneChemMedChem
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Skandija trifluorīda struktūras pētīšana, izmantojot molekulāro dinamiku

2016

Skandija fluorīds (ScF3) ir interesants materiāls, kuram plašā temperatūras diapazonā no 10 līdz 1100 K piemīt negatīvā termiskā izplešanās. Šī darbā ietvaros tiek pētīta ScF3 režģa struktūra, izmantojot klasisko un ab initio molekulārās dinamikas (MD) pieeju CP2K programmas ietvaros. Darbā tika pārbaudīti dažādi MD aprēķinu parametri un aprēķinu rezultātu stabilitāte atkarībā no izvelētā ScF3 superšūnas izmēra un MD laika soļa lieluma, tika izpētīta vidējās režģa konstantes atkarība no temperatūras npT (izobāriska-izotermiska) ansamblī, iegūts leņķusadalījums Sc-F-Sc atomiem, Sc atoma radiālā sadalījuma funkcija, kā arī tika izstrādāti datu apstrādes programmatūras rīki. Rezultāti, kas ieg…

Superšūnas izmērs.Klasiska molekulāra dinamikaAb initio molekulāra dinamikaNegatīva termiska izplešanasFizikaScF3
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Large-Eddy Simulation in LSPIV techniques: the study of surface turbolence

2021

<p>In recent years, technological advances have been observed in environmental monitoring field, leading to a rapid spread of innovative technologies overcoming many historical challenges. In river monitoring field the use of image-based techniques provides non-intrusive measurements ensuring the best safety conditions for operators. The most used optical methods are the Large-Scale Particle Image Velocimetry (LSPIV) and the Large-Scale Particle Tracking Velocimetry (LSPTV).</p><p>In LSPIV and LSPTV techniques a floating tracer is introduced on the water surface and its motion is recorded by commercial devices (e.g. digital cameras). Resulting video…

Surface (mathematics)hydraulic turbulenceSettore ICAR/02 - Costruzioni Idrauliche E Marittime E IdrologiaLSPIVsurface flow velocityMechanicsoptical methodPIVLESCFDimage analysiGeologyenvironmental monitoringLarge eddy simulation
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