Search results for " screening"

showing 10 items of 898 documents

Disorder and interactions in systems out of equilibrium : the exact independent-particle picture from density functional theory

2017

Density functional theory (DFT) exploits an independent-particle-system construction to replicate the densities and current of an interacting system. This construction is used here to access the exact effective potential and bias of non-equilibrium systems with disorder and interactions. Our results show that interactions smoothen the effective disorder landscape, but do not necessarily increase the current, due to the competition of disorder screening and effective bias. This puts forward DFT as a diagnostic tool to understand disorder screening in a wide class of interacting disordered systems.

Class (set theory)Current (mathematics)Non-equilibrium thermodynamicsFOS: Physical sciences02 engineering and technologyCondensed Matter::Disordered Systems and Neural Networks01 natural sciencesCondensed Matter - Strongly Correlated ElectronsInformationSystems_GENERALdisordered systems0103 physical sciencesMesoscale and Nanoscale Physics (cond-mat.mes-hall)strongly correlated systemsDisorder screeningStatistical physics010306 general physicsdensity functional theoryPhysicsta114Condensed Matter - Mesoscale and Nanoscale PhysicsStrongly Correlated Electrons (cond-mat.str-el)tiheysfunktionaaliteoriaDisordered Systems and Neural Networks (cond-mat.dis-nn)Condensed Matter - Disordered Systems and Neural Networks021001 nanoscience & nanotechnologynonequilibrium Green's functionParticleDensity functional theory0210 nano-technology
researchProduct

ProC Global: the first functional screening assay for the complete protein C pathway.

1997

Abstract In clinical practice, venous thromboembolic complications are much more frequent than bleeding disorders. In fact, disturbances within the protein C pathway due to coagulation factor V (FV) Leiden mutation and deficiency of protein C or protein S are the most frequent abnormalities in hereditary thrombophilia. Furthermore, acquired dysfunctions of the protein C system may predispose the single individual to an increased thrombotic risk. A routine-suited screening assay that would allow the monitoring of the proper interplay of factors in the protein C pathway could add an important factor to the basic coagulation profile. This consists of the prothrombin time and of the activated p…

Clinical BiochemistryBlood DonorsSensitivity and SpecificityProtein SProtein SProtein C deficiencyReference ValuesMedicineHumansMass ScreeningProtein S deficiencyProthrombin timemedicine.diagnostic_testbiologybusiness.industryBiochemistry (medical)Factor VFactor VProtein C DeficiencyReproducibility of ResultsThrombosisBlood Coagulation Disordersmedicine.diseaseImmunologyMutationbiology.proteinCancer researchPartial Thromboplastin TimeDisease SusceptibilityReagent Kits DiagnosticActivated protein C resistancebusinessProtein CPartial thromboplastin timemedicine.drugProtein CClinical chemistry
researchProduct

2-Cinnamamido, 2-(3-phenylpropiolamido), and 2-(3-phenylpropanamido)benzamides: synthesis, antiproliferative activity, and mechanism of action

2013

Abstract Several new benzamides 4a–q were synthesized by stirring in pyridine the acid chlorides 3a–q with the appropriate anthranilamide derivatives 2a–g. Some of the synthesized compounds were evaluated for their in vitro antiproliferative activity against a panel of 5 human cell lines (K562 human chronic myelogenous leukemia cells, MCF-7 breast cancer cells, HTC-116 and HT26 colon cancer cells and NCI H460 non-small cell lung cancer cells).

Colorectal cancerAntineoplastic AgentsApoptosisPharmacologyArticleStructure-Activity RelationshipDrug DiscoveryTumor Cells CulturedmedicineHumansStructure–activity relationshipCell ProliferationPharmacologyDose-Response Relationship DrugMolecular StructureChemistryCell growthOrganic ChemistryGeneral Medicinemedicine.disease2-cinnamamidobenzamides 2-(3-phenylpropiolamido)benzamides 2-(3-phenylpropanamido)benzamides antiproliferative activity apoptosisSettore CHIM/08 - Chimica FarmaceuticaMechanism of actionApoptosisBenzamidesMCF-7 CellsNon small cellDrug Screening Assays Antitumormedicine.symptomK562 CellsChronic myelogenous leukemiaK562 cells
researchProduct

Characteristics of the colorectal cancers diagnosed in the early 2000s in Italy. Figures from the IMPATTO study on colorectal cancer screening

2015

The impact of organized screening programmes on colorectal cancer (CRC) can be observed at a population level only several years after the implementation of screening. We compared CRC characteristics by diagnostic modality (screen-detected, non-screen-detected) as an early outcome to monitor screening programme effectiveness. Data on CRCs diagnosed in Italy from 2000 to 2008 were collected by several cancer registries. Linkage with screening datasets made it possible to divide the cases by geographic area, implementation of screening, and modality of diagnosis (screen-detected, non-screen-detected).We compared the main characteristics of the different subgroups of CRCs through multivariate …

Colorectal cancer; Colorectal cancer screening; Italy; Epidemiology; Public Health Environmental and Occupational HealthItalyEpidemiologyPublic Health Environmental and Occupational HealthSettore MED/42 - Igiene Generale E ApplicataColorectal cancerColorectal cancer screening
researchProduct

Incidence trends of colorectal cancer in the early 2000s in Italy. Figures from the IMPATTO study on colorectal cancer screening

2015

We utilised the IMPATTO study's archives to describe the 2000-2008 colorectal cancer (CRC) incidence rate trends in Italy, once screening programmes based on the faecal immunochemical test were implemented in different areas. Data on CRCs diagnosed in Italy from 2000 to 2008 in subjects aged 40-79 years were collected by 23 cancer registries. Incidence rate trends were evaluated as a whole and by macro-area (North-Centre and South-Islands), presence of a screening programme, sex, ten-year age class, anatomic site, stage at diagnosis, and pattern of diagnosis (screen-detected, non-screen-detected). The annual percent change (APC) of incidence rate trends, with 95% confidence intervals (95%CI…

Colorectal cancer; Fecal immunochemical test; Incidence rates; Italy; Screening; Epidemiology; Public Health Environmental and Occupational HealthItalyFecal immunochemical testEpidemiologyEnvironmental and Occupational HealthScreeningPublic Health Environmental and Occupational HealthSocio-culturaleIncidence ratesPublic HealthIncidence rateSettore MED/42 - Igiene Generale E ApplicataColorectal cancer
researchProduct

Traditional Chinese medicines (TCMs) for molecular targeted therapies of tumours.

2009

Scientific progress in genetics, cell and molecular biology has greatly ameliorated our comprehensive understanding of the molecular mechanisms of neoplastic transformation and progression. The rapidly advancing identification of molecular targets in human cancers during the last decade has provided an excellent starting point for the development of novel therapeutics. A huge variety of potential molecular targets have been identified, many of which are already in the market for therapeutic purposes. It is now becoming possible to target pathways and/or molecules that are crucial in maintaining the malignant phenotype. Traditional Chinese medicine (TCM) is often considered as alternative or…

Complementary TherapiesModern medicineCurcuminBerberineArtesunateMolecular Targeted TherapiesTraditional Chinese medicineComputational biologyPharmacologyModels BiologicalArsenicalsScientific evidenceDrug Delivery SystemsArsenic TrioxideNeoplasmsDrug DiscoveryMedicineAnimalsHumansNeoplastic transformationMedicine Chinese TraditionalMalignant phenotypeBiological ProductsScientific progressbusiness.industryOxidesAntineoplastic Agents PhytogenicArtemisininsCantharidinIdentification (biology)Drug Screening Assays AntitumorbusinessDrugs Chinese HerbalCurrent drug discovery technologies
researchProduct

Dynamic-shared Pharmacophore Approach as Tool to Design New Allosteric PRC2 Inhibitors, Targeting EED Binding Pocket.

2020

Abstract: The Polycomb Repressive complex 2 (PRC2) maintains a repressive chromatin state and silences many genes, acting as methylase on histone tails. This enzyme was found overexpressed in many types of cancer. In this work, we have set up a Computer-Aided Drug Design approach based on the allosteric modulation of PRC2. In order to minimize the possible bias derived from using a single set of coordinates within the protein-ligand complex, a dynamic workflow was developed. In details, molecular dynamic was used as tool to identify the most significant ligand-protein interactions from several crystallized protein structures. The identified features were used for the creation of dynamic pha…

Computer scienceAllosteric regulationBinding pocketmacromolecular substancesComputational biologyMolecular Dynamics SimulationLigands01 natural sciences03 medical and health sciencesProtein structureStructural BiologyDrug DiscoveryHumans030304 developmental biologyEED0303 health sciencesVirtual screeningBinding SitesbiologyOrganic ChemistryMolecular DynamicPolycomb Repressive Complex 2Dynamic pharmacophorePRC20104 chemical sciencesComputer Science ApplicationsChromatinMolecular Docking Simulation010404 medicinal & biomolecular chemistryROC CurveDocking (molecular)Drug Designbiology.proteinMolecular MedicinePharmacophorePRC2Allosteric SiteProtein BindingMolecular informaticsReferences
researchProduct

Reliability of Virtual Screening Methods in Prediction of PDE4Binhibitor Activity

2015

Identification of active ligands using computational methods is a challenging task. For example, molecular docking, pharmacophore modeling, and three dimensional quantitative structure-activity relationship models (3D-QSAR) are widely used methods to identify novel small molecules. However, all these methods have, in addition to advantages, also significant pitfalls. The aim of this study was to compare some commonly used computational methods to estimate their ability to separate highly active PDE4B-inhibitors from less active and inactive ones. Here, 152 molecules with pIC 50 -range of 3.4-10.5, originating from six original studies were used. High correlation coefficients by using dockin…

Computer scienceQuantitative Structure-Activity RelationshipMultiple methodsLigandsComputers MolecularDrug DiscoveryProtein Interaction MappingHumansSimulationPharmacological Phenomenathree-dimensional quantitative structure-activity relationshipVirtual screeningbusiness.industryta1182Pattern recognitionmolecular dockingmolecular mechanics-generalized born-surface areavirtual screeningCyclic Nucleotide Phosphodiesterases Type 4Molecular Docking SimulationDocking (molecular)pharmacophore modelingArtificial intelligencePhosphodiesterase 4 InhibitorsPharmacophorebusinessphosphodiesteraseCurrent Drug Discovery Technologies
researchProduct

Automated detection of lung nodules in low-dose computed tomography

2007

A computer-aided detection (CAD) system for the identification of pulmonary nodules in low-dose multi-detector computed-tomography (CT) images has been developed in the framework of the MAGIC-5 Italian project. One of the main goals of this project is to build a distributed database of lung CT scans in order to enable automated image analysis through a data and cpu GRID infrastructure. The basic modules of our lung-CAD system, consisting in a 3D dot-enhancement filter for nodule detection and a neural classifier for false-positive finding reduction, are described. The system was designed and tested for both internal and sub-pleural nodules. The database used in this study consists of 17 low…

Computer-aided detectionLow-dose computed tomography (LDCT)Computer-aided detection (CAD)thin slice CTLung cancer screeninglung cancer screeningFOS: Physical sciencesComputer-aided detection (CAD); Low-dose computed tomography (LDCT); Lung cancer screening; Thin-slice CTMedical Physics (physics.med-ph)Thin-slice CTlow-dose computed tomographyPhysics - Medical Physicsimage processing
researchProduct

Cloud screening and multitemporal unmixing of MERIS FR data

2007

The operational use of MERIS images can be hampered by the presence of clouds. This work presents a cloud screening algorithm that takes advantage of the high spectral and radiometric resolutions of MERIS and the specific location of some of its bands to increase the cloud detection accuracy. Moreover, the proposed algorithm provides a per-pixel probabilistic map of cloud abundance rather than a binary cloud presence flag. In order to test the proposed algorithm we propose a cloud screening validation method based on temporal series. In addition, we evaluate the impact of the cloud screening in a multitemporal unmixing application, where a temporal series of MERIS FR images acquired over Th…

ComputingMilieux_GENERALMERISLaboratory of Geo-information Science and Remote SensingCloud screeningMultispectral images550 - Earth sciencesLaboratorium voor Geo-informatiekunde en Remote SensingSub-pixel classificationPE&RCAstrophysics::Galaxy AstrophysicsSpectral unmixing
researchProduct