Search results for "theoretical"

showing 10 items of 11439 documents

Metabolic Syndrome: From Molecular Mechanisms to Novel Therapies

2021

The metabolic syndrome (MetS) consists of a cluster of metabolic abnormalities including central obesity, insulin resistance, glucose intolerance, hypertension, and atherogenic dyslipidemia [...]

2019-20 coronavirus outbreakCoronavirus disease 2019 (COVID-19)QH301-705.5Disease clusterBioinformaticsCatalysisInorganic ChemistryInsulin resistanceDiabetes mellitusmedicineAnimalsHumansObesityPhysical and Theoretical ChemistryBiology (General)Molecular BiologyQD1-999SpectroscopyMetabolic SyndromeAtherogenic dyslipidemiabusiness.industryOrganic ChemistryAnimals Diabetes Mellitus Type 2 Humans Insulin Resistance Metabolic Syndrome ObesityGeneral Medicinemedicine.diseaseObesityComputer Science ApplicationsChemistryEditorialn/aDiabetes Mellitus Type 2Metabolic syndromeInsulin ResistancebusinessInternational Journal of Molecular Sciences
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Cardiometabolic Alterations in the Interplay of COVID-19 and Diabetes: Current Knowledge and Future Avenues

2021

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) (coronavirus disease 2019 [COVID-19]) pandemic has raged for almost two years, with few signs of a sustained abatement or remission [...]

2019-20 coronavirus outbreakCoronavirus disease 2019 (COVID-19)QH301-705.5virusesSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)CatalysisDiabetes ComplicationsInorganic ChemistryDiabetes mellitusPandemicmedicineHumansBiology (General)Physical and Theoretical ChemistryQD1-999Molecular BiologySpectroscopySARS-CoV-2business.industryOrganic ChemistryCOVID-19virus diseasesGeneral Medicinemedicine.diseaseComputer Science ApplicationsLipoproteins LDLChemistryn/aEditorialCardiovascular DiseasesImmunologyCOVID-19 Cardiovascular Diseases Diabetes Complications Endothelium Vascular Humans Lipoproteins LDL SARS-CoV-2Endothelium VascularbusinessInternational Journal of Molecular Sciences
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Past, Present and Future Perspectives on Halloysite Clay Minerals

2020

Halloysite nanotubes (HNTs), clay minerals belonging to the kaolin groups, are emerging nanomaterials which have attracted the attention of the scientific community due to their interesting features, such as low-cost, availability and biocompatibility. In addition, their large surface area and tubular structure have led to HNTs’ application in different industrial purposes. This review reports a comprehensive overview of the historical background of HNT utilization in the last 20 years. In particular it will focus on the functionalization of the surfaces, both supramolecular and covalent, following applications in several fields, including biomedicine, environmental science and catalysis.

2019-20 coronavirus outbreakCoronavirus disease 2019 (COVID-19)Surface PropertiesSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Pharmaceutical ScienceNanotechnologyReviewhalloysite nanotubesengineering.materialHalloysiteAnalytical Chemistrylcsh:QD241-441lcsh:Organic chemistryDrug DiscoveryPhysical and Theoretical ChemistryParticle SizeMineralsMolecular StructureOrganic ChemistrySettore CHIM/06 - Chimica Organicahistorical backgroundsupramolecular functionalizationChemistry (miscellaneous)engineeringMolecular MedicineClayClay mineralschemical modificationMolecules
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Genetic and Epigenetic Factors of Takotsubo Syndrome: A Systematic Review

2021

Takotsubo syndrome (TTS), recognized as stress’s cardiomyopathy, or as left ventricular apical balloon syndrome in recent years, is a rare pathology, described for the first time by Japanese researchers in 1990. TTS is characterized by an interindividual heterogeneity in onset and progression, and by strong predominance in postmenopausal women. The clear causes of these TTS features are uncertain, given the limited understanding of this intriguing syndrome until now. However, the increasing frequency of TTS cases in recent years, and particularly correlated to the SARS-CoV-2 pandemic, leads us to the imperative necessity both of a complete knowledge of TTS pathophysiology for identifying bi…

2019-20 coronavirus outbreakTTS managementCoronavirus disease 2019 (COVID-19)DNA Copy Number VariationsQH301-705.5Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Heart VentriclesReviewBioinformaticsPolymorphism Single NucleotideCatalysisEpigenesis GeneticInorganic ChemistryGenetic Heterogeneitysystematic reviewTakotsubo CardiomyopathyMedicineHumansGenetic Predisposition to DiseaseEpigeneticsTakotsubo cardiomyopathy (TTS)Biology (General)Physical and Theoretical ChemistryMedical History TakingQD1-999Molecular BiologySpectroscopyTakotsubo syndromePostmenopausal womenbusiness.industryGenetic heterogeneitySARS-CoV-2Organic ChemistrybiomarkersCOVID-19General Medicinespecific and effective treatmentsgenetic and epigenetic factorsComputer Science ApplicationsChemistrySettore MED/03Genetic LociIdentification (biology)businessInternational Journal of Molecular Sciences
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FMapper: Scalable read mapper based on succinct hash index on SunWay TaihuLight

2022

Abstract One of the most important application in bioinformatics is read mapping. With the rapidly increasing number of reads produced by next-generation sequencing (NGS) technology, there is a need for fast and efficient high-throughput read mappers. In this paper, we present FMapper – a highly scalable read mapper on the TaihuLight supercomputer optimized for its fourth-generation ShenWei many-core architecture (SW26010). In order to fully exploit the computational power of the SW26010, we employ dynamic scheduling of tasks, asynchronous I/O and data transfers and implement a vectorized version of the banded Myers algorithm tailored to the 256 bit vector registers of the SW26010. Our perf…

256-bitSpeedupXeonComputer Networks and CommunicationsComputer scienceHash functionParallel computingSW26010SupercomputerTheoretical Computer ScienceArtificial IntelligenceHardware and ArchitectureScalabilitySoftwareSunway TaihuLightJournal of Parallel and Distributed Computing
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PEG 400/Cerium Ammonium Nitrate Combined with Microwave-Assisted Synthesis for Rapid Access to Beta-Amino Ketones. An Easy-to-Use Protocol for Discov…

2018

Compound libraries are important requirement in target-based drug discovery. In the present work, a small focused compound library based on β-aminoketone scaffold has been prepared combining microwave-assisted organic synthesis (MAOS) with polymer-assisted solution phase synthesis (PASPS) and replacing reaction workup standard purification procedures with solid phase extraction (SPE). Specifically, the effects of solvent, such as dioxane, dimethylformamide (DMF), polyethylene glycol 400 (PEG 400), temperature, irradiation time, stoichiometric ratio of reagents, and catalysts (HCl, acetic acid, cerium ammonium nitrate (CAN)) were investigated to maximize both conversion and yield. The optimi…

3003Transcription FactorPharmaceutical ScienceNitratePolyethylene Glycol01 natural sciencesPolyethylene GlycolsPolymer-assisted solution phase synthesiAnalytical Chemistrychemistry.chemical_compoundDrug DiscoveryMannich reactionSolid phase extractionMicrowavesβ-aminoketonesCeriumKetonesKetoneDNA-Binding ProteinsSolventCeriumChemistry (miscellaneous)Molecular MedicineDimethylformamideMicrowave-assisted organic synthesiMannich reaction; β-aminoketones; microwave-assisted organic synthesis; polymer-assisted solution phase synthesis; solid phase extraction; drug discoveryDNA-Binding ProteinBacterial Proteinchemistry.chemical_elementPolyethylene glycol010402 general chemistryArticlelcsh:QD241-441Bacterial Proteinslcsh:Organic chemistryΒ-aminoketonePhysical and Theoretical ChemistrySolid phase extractionpolymer-assisted solution phase synthesisPEG 400Nitrates010405 organic chemistryDrug Discovery3003 Pharmaceutical ScienceOrganic ChemistrySettore CHIM/08 - Chimica FarmaceuticaCombinatorial chemistry0104 chemical scienceschemistryYield (chemistry)microwave-assisted organic synthesisOrganic synthesisMicrowaveTranscription FactorsMolecules
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A Guide to Perform 3D Histology of Biological Tissues with Fluorescence Microscopy

2023

The analysis of histological alterations in all types of tissue is of primary importance in pathology for highly accurate and robust diagnosis. Recent advances in tissue clearing and fluorescence microscopy made the study of the anatomy of biological tissue possible in three dimensions. The combination of these techniques with classical hematoxylin and eosin (H&E) staining has led to the birth of three-dimensional (3D) histology. Here, we present an overview of the state-of-the-art methods, highlighting the optimal combinations of different clearing methods and advanced fluorescence microscopy techniques for the investigation of all types of biological tissues. We employed fluorescence …

3D histologyOrganic ChemistryH&ampGeneral MedicineSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)CatalysisLight Sheet MicroscopyComputer Science ApplicationsInorganic Chemistry3D histology; clearing methods; H&E staining; Light Sheet Microscopy; Two Photon Fluorescence MicroscopyE stainingTwo Photon Fluorescence MicroscopyPhysical and Theoretical ChemistryMolecular BiologySpectroscopyclearing methodsInternational Journal of Molecular Sciences; Volume 24; Issue 7; Pages: 6747
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Non-symmetrized Hyperspherical Harmonics Method for Non-equal Mass Three-Body Systems

2018

The non-symmetrized hyperspherical harmonics method for a three-body system, composed by two particles having equal masses, but different from the mass of the third particle, is reviewed and applied to the $^3$H, $^3$He nuclei and $^3_{\Lambda}$H hyper-nucleus, seen respectively as $nnp$, $ppn$ and $NN\Lambda$ three-body systems. The convergence of the method is first tested in order to estimate its accuracy. Then, the difference of binding energy between $^3$H and $^3$He due to the difference of the proton and the neutron masses is studied using several central spin-independent and spin-dependent potentials. Finally, the $^3_{\Lambda}$H hypernucleus binding energy is calculated using diffe…

3HeProtonMaterials Science (miscellaneous)hypertritonBinding energyBiophysicsGeneral Physics and AstronomyLambda01 natural sciencesthree-body systemstriton0103 physical sciencesNeutronhypersperical harmonics methodPhysical and Theoretical Chemistry010306 general physicsMathematical PhysicsMathematical physicsPhysics010308 nuclear & particles physicslight nucleiOrder (ring theory)Hypernucleuslcsh:QC1-999Harmonicslcsh:PhysicsHypertritonFrontiers in Physics
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3D Printed Palladium Catalyst for Suzuki-Miyaura Cross-coupling Reactions

2020

Selective laser sintering (SLS) 3d printing was utilized to manufacture a solid catalyst for Suzuki-Miyaura cross-coupling reactions from polypropylene as a base material and palladium nanoparticles on silica (SilicaCat Pd(0)R815-100 by SiliCycle) as the catalytically active additive. The 3d printed catalyst showed similar activity to that of the pristine powdery commercial catalyst, but with improved practical recoverability and reduced leaching of palladium into solution. Recycling of the printed catalyst led to increase of the induction period of the reactions, attributed to the pseudo-homogeneous catalysis. The reaction is initiated by oxidative addition of aryl iodide to palladium nano…

3d printedMaterials scienceNANOPARTICLE116 Chemical sciences3D printingNanoparticle010402 general chemistry01 natural sciencesCatalysisCoupling reactionlaw.inventionInorganic ChemistrykatalyytitlawMIZOROKI-HECK3D-tulostuspalladium nanoparticlesselective laser sinteringPhysical and Theoretical ChemistryFILTERSSuzuki-Miyaura cross-couplingcatalysis010405 organic chemistrybusiness.industry3d printingOrganic ChemistryPINCER COMPLEXESPalladium nanoparticlespalladium0104 chemical sciencesSelective laser sinteringChemical engineeringnanohiukkaset221 Nano-technologybusinessPalladium catalyst
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Preparation of polycrystalline TiO2 photocatalysts impregnated with various transition metal ions : characterization and photocatalytic activity for …

2002

A set of polycrystalline TiO2 photocatalysts loaded with various ions of transition metals (Co, Cr, Cu, Fe, Mo, V, and W) were prepared by using the wet impregnation method. The samples were characterized by using some bulk and surface techniques, namely X-ray diffraction, BET specific surface area determination, scanning electron microscopy, point of zero charge determination, and femtosecond pump-probe diffuse reflectance spectroscopy (PP-DRS). The samples were employed as catalysts for 4-nitrophenol photodegradation in aqueous suspension, used as a probe reaction. The characterization results have confirmed the difficulty to find a straightforward correlation between photoactivity and si…

431Materials scienceDiffuse reflectance infrared fourier transformScanning electron microscopeAnalytical chemistry436Surfaces Coatings and FilmsTransition metalSpecific surface areaMaterials ChemistryPoint of zero chargeCrystalliteDiffuse reflectionPhysical and Theoretical ChemistryPhotodegradationJournal of physical chemistry. B
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