Search results for "Computer Science Application"

showing 10 items of 3998 documents

The Role of Fc Receptors on the Effectiveness of Therapeutic Monoclonal Antibodies.

2021

Since the approval of the first monoclonal antibody (mAb) in 1986, a huge effort has been made to guarantee safety and efficacy of therapeutic mAbs. As of July 2021, 118 mAbs are approved for the European market for a broad range of clinical indications. In order to ensure clinical efficacy and safety aspects, (pre-)clinical experimental approaches evaluate the respective modes of action (MoA). In addition to antigen-specificity including binding affinity and -avidity, MoA comprise Fc-mediated effector functions such as antibody dependent cellular cytotoxicity (ADCC) and the closely related antibody dependent cellular phagocytosis (ADCP). For this reason, a variety of cell-based assays have…

modes of action (MoA)GlycosylationQH301-705.5medicine.drug_classCellReceptors FcReviewBiologyMonoclonal antibodyCatalysisInorganic Chemistrychemistry.chemical_compoundMonoklonaler Antikörper ; effector function ; antibody dependent cellular phagocytosis (ADCP) ; therapeutic monoclonal antibodies (mAbs) ; Fcγ receptor (FcγR) ; modes of action (MoA) ; antibody dependent cellular cytotoxicity (ADCC)medicineAnimalsHumansAvidityClinical efficacyBiology (General)Physical and Theoretical ChemistryReceptorQD1-999Molecular BiologySpectroscopyAntibody-dependent cell-mediated cytotoxicityEffectortherapeutic monoclonal antibodies (mAbs)Organic ChemistryAntibody-Dependent Cell CytotoxicityAntibodies Monoclonalantibody dependent cellular phagocytosis (ADCP)General MedicineFcγ receptor (FcγR)Computer Science ApplicationsImmunoglobulin Fc Fragmentsantibody dependent cellular cytotoxicity (ADCC)Chemistrymedicine.anatomical_structurechemistryImmunologyImmunotherapyeffector functionInternational journal of molecular sciences
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Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations

2019

Standard flavors of density-functional theory (DFT) calculations are known to fail in describing anions, due to large self-interaction errors. The problem may be circumvented using localized basis sets of reduced size, leaving no variational flexibility for the extra electron to delocalize. Alternatively, a recent approach exploiting DFT evaluations of total energies on electronic densities optimized at the Hartree-Fock (HF) level has been reported, showing that the self-interaction-free HF densities are able to lead to an improved description of the additional electron, returning affinities in close agreement with the experiments. Nonetheless, such an approach can fail when the HF densitie…

molecular-dynamicsforce-fieldExtrapolationFOS: Physical sciencesElectron01 natural sciencesForce field (chemistry)IonMolecular dynamicsDelocalized electronPhysics - Chemical Physics0103 physical sciences[CHIM]Chemical SciencesPhysical and Theoretical ChemistryapproximationComputingMilieux_MISCELLANEOUSChemical Physics (physics.chem-ph)PhysicsCondensed Matter - Materials Scienceelectron-affinitiesatoms010304 chemical physicsMaterials Science (cond-mat.mtrl-sci)energiesComputational Physics (physics.comp-ph)Computer Science ApplicationsComputational physics[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryEmbeddingDensity functional theoryPhysics - Computational PhysicsJournal of Chemical Theory and Computation
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A visualization technique for accessing solution pool in interactive methods of multiobjective optimization

2015

<pre>Interactive methods of <span>multiobjective</span> optimization repetitively derive <span>Pareto</span> optimal solutions based on decision maker's preference information and present the obtained solutions for his/her consideration. Some interactive methods save the obtained solutions into a solution pool and, at each iteration, allow the decision maker considering any of solutions obtained earlier. This feature contributes to the flexibility of exploring the <span>Pareto</span> optimal set and learning about the optimization problem. However, in the case of many objective functions, the accumulation of derived solutions makes accessing the sol…

multidimensional scalingMathematical optimizationOptimization problemComputer Networks and CommunicationsComputer sciencevisualisointiPareto front visualizationcomputer.software_genreMulti-objective optimizationSet (abstract data type)menetelmätMultidimensional scalingMultiobjective optimizationdimensionality reductionFlexibility (engineering)pareto-tehokkuusDimensionality reductionMultiobjective optimization ; interactive methods ; Pareto front visualization ; dimensionality reduction ; multidimensional scalinginteractive methodsNIMBUSmonitavoiteoptimointiComputer Science ApplicationsVisualizationComputational Theory and MathematicsFeature (computer vision)interaktiivisuusData miningcomputer
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Application of Molecular Topology for the Prediction of Reaction Yields and Anti-Inflammatory Activity of Heterocyclic Amidine Derivatives

2011

Topological-mathematical models based on multiple linear regression analyses have been built to predict the reaction yields and the anti-inflammatory activity of a set of heterocylic amidine derivatives, synthesized under environmental friendly conditions, using microwave irradiation. Two models with three variables each were selected. The models were validated by cross-validation and randomization tests. The final outcome demonstrates a good agreement between the predicted and experimental results, confirming the robustness of the method. These models also enabled the screening of virtual libraries for new amidine derivatives predicted to show higher values of reaction yields and anti-infl…

multilineal regression analysisQSAR analysisAmidinesAnti-Inflammatory AgentsQuantitative Structure-Activity RelationshipArticleCatalysismolecular topologylcsh:ChemistryInorganic ChemistryAmidineHeterocyclic Compounds 1-Ringchemistry.chemical_compoundComputational chemistryLinear regressionOrganic chemistryPhysical and Theoretical Chemistryyield reactionanti-inflammatory activitylcsh:QH301-705.5Molecular BiologySpectroscopyChemistryOrganic ChemistryGeneral MedicineComputer Science Applicationslcsh:Biology (General)lcsh:QD1-999Microwave irradiationMolecular topologyAlgorithmsamidine derivativesInternational Journal of Molecular Sciences
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Tolerance, Adaptation, and Cell Response Elicited by Micromonospora sp. Facing Tellurite Toxicity: A Biological and Physical-Chemical Characterization

2022

The intense use of tellurium (Te) in industrial applications, along with the improper disposal of Te-derivatives, is causing their accumulation in the environment, where oxyanion tellurite (TeO32−) is the most soluble, bioavailable, and toxic Te-species. On the other hand, tellurium is a rare metalloid element whose natural supply will end shortly with possible economic and technological effects. Thus, Te-containing waste represents the source from which Te should be recycled and recovered. Among the explored strategies, the microbial TeO32− biotransformation into less toxic Te-species is the most appropriate concerning the circular economy. Actinomycetes are ideal candidates in…

multivariate statistical analysisExtracellular Polymeric Substance MatrixSuperoxide DismutaseOrganic ChemistryGeneral MedicineSettore BIO/19 - Microbiologia Generalefatty acidsMicromonosporaCatalysisComputer Science ApplicationsInorganic ChemistryFTIR spectroscopyProtein Aggregatestellurite; bacterial cell membrane; cell morphology changes; fatty acids; FTIR spectroscopy; oxidative stress; heavy metals; multivariate statistical analysisbacterial cell membranecell morphology changesoxidative stressPhysical and Theoretical ChemistryTelluriumheavy metalstelluriteMolecular BiologySpectroscopy
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Influence of the Screw Positioning on the Stability of Locking Plate for Proximal Tibial Fractures: A Numerical Approach

2020

Tibial fractures are common injuries in people. The proper treatment of these fractures is important in order to recover complete mobility. The aim of this work was to investigate if screw positioning in plates for proximal tibial fractures can affect the stability of the system, and if it can consequently influence the patient healing time. In fact, a more stable construct could allow the reduction of the non-weight-bearing period and consequently speed up the healing process. For that purpose, virtual models of fractured bone/plate assemblies were created, and numerical simulations were performed to evaluate the reaction forces and the maximum value of the contact pressure at the screw/bo…

musculoskeletal diseasesMaterials sciencemedicine.medical_treatmentHealing timelcsh:TechnologyStability (probability)Locking platelcsh:Chemistry03 medical and health sciences0302 clinical medicinemedicineCADGeneral Materials Science030212 general & internal medicineTibial fractureSettore ING-IND/15 - Disegno E Metodi Dell'Ingegneria Industrialelcsh:QH301-705.5InstrumentationReduction (orthopedic surgery)implant stabilityFluid Flow and Transfer ProcessesOrthodonticsFEM030222 orthopedicslcsh:TProcess Chemistry and TechnologyWork (physics)General Engineeringtibial fracturemusculoskeletal systemlocking plateslcsh:QC1-999Finite element methodComputer Science Applicationsreverse engineeringlcsh:Biology (General)lcsh:QD1-999lcsh:TA1-2040Proper treatmentlcsh:Engineering (General). Civil engineering (General)lcsh:PhysicsLocking plateApplied Sciences
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Quasi-Fractional Models of Human Tendons Hereditariness

2018

In this study, the authors, after collecting a series of experimental evidences following a creep and relaxation tendon campaign, propose a non-linear model of the viscoelastic behavior of the tendons. The ligaments investigated are the patellars and the hamstrings. The analytical model proposed by the authors aims to explain the non-linear hereditary behavior of these tissues and proposes an approach with which to develop a hereditary fractional-order non-linear model.

musculoskeletal diseasesPatellarComputer scienceQuantitative Biology::Tissues and OrgansEnergy Engineering and Power TechnologyViscoelasticityIndustrial and Manufacturing EngineeringArtificial IntelligencemedicineLigamentInstrumentationbusiness.industryRenewable Energy Sustainability and the EnvironmentComputer Science Applications1707 Computer Vision and Pattern RecognitionStructural engineeringFractional-order hereditarinemusculoskeletal systemTendonmedicine.anatomical_structureComputer Networks and CommunicationCreepEvolution biologyRelaxation (approximation)businessSettore ICAR/08 - Scienza Delle CostruzioniHamstring
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Intra-Articular Injection of Botulinum Toxin for the Treatment of Knee Osteoarthritis: A Systematic Review of Randomized Controlled Trials

2023

The purpose of the present paper was to review the available evidence on intra-articular botulinum toxin (BTX) injection in the treatment of knee osteoarthritis and to compare it to other conservative treatment options. A systematic review of the literature was performed on the PubMed, Scopus, Cochrane Library, Web of Science, Pedro and Research Gate databases with the following inclusion criteria: (1) randomized controlled trials (RCTs), (2) written in the English language, and (3) published on indexed journals in the last 20 years (2001–2021) dealing with the use of BTX intra-articular injection for the treatment of knee OA. The risk of bias was assessed using the Cochrane Risk of Bias to…

musculoskeletalSettore MED/34 - Medicina Fisica E RiabilitativaOrganic Chemistryintra-articularGeneral MedicineCatalysisComputer Science ApplicationsarthritiInorganic Chemistrysystematic reviewbotulinumtendinopathyPhysical and Theoretical ChemistryMolecular BiologySpectroscopyInternational Journal of Molecular Sciences
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The Major Heat Shock Proteins, Hsp70 and Hsp90, in 2-Methoxyestradiol-Mediated Osteosarcoma Cell Death Model

2020

2-Methoxyestradiol is one of the natural 17&beta

neuronal nitric oxide synthaseProgrammed cell death2-methoxyestradiolLactams MacrocyclicAntineoplastic AgentsBone NeoplasmsModels BiologicalArticleCatalysisHsp90 inhibitorNitric oxidelcsh:ChemistryInorganic Chemistrychemistry.chemical_compoundDownregulation and upregulationosteosarcomaHeat shock proteinBenzoquinonesAnimalsHumansDrug InteractionsHSP70 Heat-Shock ProteinsHSP90 Heat-Shock ProteinsPhysical and Theoretical Chemistrygeldanamycinlcsh:QH301-705.5Molecular BiologySpectroscopyAntibiotics AntineoplasticbiologyOrganic ChemistryGeneral MedicineGeldanamycinHsp90Computer Science ApplicationsHsp70lcsh:Biology (General)lcsh:QD1-999chemistryCancer researchbiology.proteinInternational Journal of Molecular Sciences
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B-Cell Receptor Signaling Is Thought to Be a Bridge between Primary Sjogren Syndrome and Diffuse Large B-Cell Lymphoma

2023

Primary Sjogren syndrome (pSS) is the second most common autoimmune disorder worldwide, which, in the worst scenario, progresses to Non-Hodgkin Lymphoma (NHL). Despite extensive studies, there is still a lack of knowledge about developing pSS for NHL. This study focused on cells’ signaling in pSS progression to the NHL type of diffuse large B-cell lymphoma (DLBCL). Using bulk RNA and single cell analysis, we found five novel pathologic-independent clusters in DLBCL based on cells’ signaling. B-cell receptor (BCR) signaling was identified as the only enriched signal in DLBCL and pSS peripheral naive B-cells or salivary gland-infiltrated cells. The evaluation of the genes in association with …

non-hodgkins lymphomaprimary Sjogren syndrome; non-hodgkins lymphoma; DLBCL; cell signaling; BCROrganic ChemistryGeneral MedicineBCRprimary Sjogren syndromeCatalysisComputer Science ApplicationsInorganic ChemistryDLBCLcell signalingPhysical and Theoretical ChemistryMolecular BiologySpectroscopyInternational Journal of Molecular Sciences; Volume 24; Issue 9; Pages: 8385
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