Search results for "Ketones"

showing 10 items of 87 documents

Radiolucent Carbon Fiber–Reinforced Pedicle Screws for Treatment of Spinal Tumors: Advantages for Radiation Planning and Follow-Up Imaging

2016

Objective Surgical treatment of spinal tumors regularly includes spinal instrumentation with pedicle screws. Most modern pedicle screws are made of titanium alloy, which is associated with artifacts on postoperative imaging such as computed tomography and/or magnetic resonance imaging. These artifacts hamper radiation treatment planning and execution and follow-up imaging. Recently, carbon fiber–reinforced polyetheretherketone (CFRP) implants became available for posterior instrumentation with the aim to reduce imaging artifacts by implants. Methods Patients harboring spinal tumors underwent posterior stabilization using CFRP pedicle screws. Postoperative imaging was evaluated for implant a…

Malemedicine.medical_specialtyTomography Scanners X-Ray ComputedPolymersmedicine.medical_treatmentRadiodensityPolyethylene GlycolsBenzophenones03 medical and health sciences0302 clinical medicineCarbon FiberPedicle ScrewsHounsfield scalemedicineHumansSpinal ChordomaRadiation treatment planningAgedRetrospective StudiesAged 80 and overPostoperative CareSpinal NeoplasmsRadiotherapymedicine.diagnostic_testbusiness.industryMagnetic resonance imagingKetonesMiddle Agedequipment and suppliesmedicine.diseaseMagnetic Resonance ImagingCarbonSurgeryRadiation therapySpinal FusionTreatment Outcome030220 oncology & carcinogenesisFemaleSurgeryNeurology (clinical)RadiologyImplantChordomabusiness030217 neurology & neurosurgeryFollow-Up StudiesWorld Neurosurgery
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Manganese(iv) oxamato-catalyzed oxidation of secondary alcohols to ketones by dioxygen and pivalaldehyde

1998

A new manganese(IV) oxamato complex possessing a bis(moxo) dimanganese core has been synthesized, magnetically and structurally characterized, and found to catalyze the aerobic oxidation of secondary alcohols to ketones with cooxidation of pivalaldehyde to pivalic acid with good yields and high selectivities. Ruiz Garcia, Rafael, Rafael.Ruiz@uv.es ; Fernandez Picot, Isabel, Isabel.Fernandez@uv.es ; Pedro Llinares, Jose Ramon, Jose.R.Pedro@uv.es ; Rosello Arce, Antonio Luis, Antonio.L.Rosello@uv.es ; Castro Bleda, Isabel, Isabel.Castro@uv.es

ManganesePivalic acidDioxygenUNESCO::QUÍMICA::Química inorgánicaUNESCO::QUÍMICAMetals and Alloyschemistry.chemical_elementGeneral ChemistryManganeseKetones:QUÍMICA::Química inorgánica [UNESCO]:QUÍMICA [UNESCO]CatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCatalysischemistry.chemical_compoundchemistryAlcoholsOxidationMaterials ChemistryCeramics and CompositesOxidation of secondary alcohols to ketonesOrganic chemistryManganese ; Oxidation ; Alcohols ; Ketones ; Dioxygen
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Amorphous and crystalline polyetheretherketone: Mechanical properties and tissue reactions during a 3-year follow-up.

2007

The study was aimed to test the mechanical strength, structural stability, and tissue reactions of optically amorphous and crystalline polyetheretherketone (PEEK) plates during a 3-year follow-up in vivo and in vitro. The injection-moulded PEEK plates were implanted to the dorsal subcutis of 12 sheep, which were sacrificed at 6-156 weeks. Thereafter, the plates were subjected to tensile tests, and levels of crystallinity were assessed by differential scanning calorimetry (DSC). Histological evaluation was carried out using the paraffin technique. In vitro properties were examined with the tensile test and DSC at 0-156 weeks. Tissue reactions were mild and fairly similar for the amorphous an…

Materials scienceYield (engineering)PolymersBiomedical EngineeringBiocompatible MaterialsPolyethylene GlycolsBiomaterialsProsthesis ImplantationCrystallinityBenzophenonesDifferential scanning calorimetryTensile StrengthUltimate tensile strengthMaterials TestingPeekAnimalsAnesthesiaComposite materialTensile testingInflammationSheepMetals and AlloysProstheses and ImplantsKetoneseye diseasesInternal FixatorsAmorphous solidEosinophilsCeramics and Compositessense organsElongationFollow-Up StudiesJournal of biomedical materials research. Part A
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Modelling Photoionisation in Isocytosine: Potential Formation of Longer‐Lived Excited State Cations in its Keto Form

2021

Abstract Studying the effects of UV and VUV radiation on non‐canonical DNA/RNA nucleobases allows us to compare how they release excess energy following absorption with respect to their canonical counterparts. This has attracted much research attention in recent years because of its likely influence on the origin of our genetic lexicon in prebiotic times. Here we present a CASSCF and XMS‐CASPT2 theoretical study of the photoionisation of non‐canonical pyrimidine nucleobase isocytosine in both its keto and enol tautomeric forms. We analyse their lowest energy cationic excited states including 2π+ , 2nO+ and 2nN+ and compare these to the corresponding electronic states in cytosine. Investigat…

Models MolecularCASPT2Ultraviolet RaysADNPhysics Atomic Molecular & ChemicalRELAXATION DYNAMICSCASSCFArticleCytosineMOLECULAR WAVE-FUNCTIONSCationsIMPLEMENTATION0307 Theoretical and Computational ChemistryPhysical and Theoretical Chemistry0306 Physical Chemistry (incl. Structural)Radiació ionitzantScience & TechnologyChemical PhysicsMolecular StructureChemistry PhysicalConical IntersectionsPhysicsSPECTROSCOPIC FINGERPRINTSDNAArticlesKetonesPhotochemical ProcessesURACILAtomic and Molecular Physics and OpticsChemistryPhotostability2ND-ORDER PERTURBATION-THEORYPhotoionisationPhysical SciencesANO BASIS-SETSSIMULATION0202 Atomic Molecular Nuclear Particle and Plasma PhysicsCASSCF/CASPT2RNAELECTRON CORRELATIONDNA/RNAChemPhysChem
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Stereoelectronic Requirements for Optimal Hydrogen-Bond-Catalyzed Enolization

2011

Protein crystallographic analysis of the active sites of enolizing enzymes and structural analysis of hydrogen-bonded carbonyl compounds in small molecule crystal structures, complemented by quantum chemical calculations on related model enolization reactions, suggest a new stereoelectronic model that accounts for the observed out-of-plane orientation of hydrogen-bond donors (HBDs) in the oxyanion holes of enolizing enzymes. The computational results reveal that the lone-pair directionality of HBDs characteristic for hydrogen-bonded carbonyls is reduced upon enolization, and the enolate displays almost no directional preference for hydrogen bonding. Positioning the HBDs perpendicular to the…

Models MolecularHydrogen bondOrganic ChemistryHydrogen BondingStereoisomerismOxyanionGeneral ChemistryCrystal structureKeto–enol tautomerismKetonesCarbon-Carbon Double Bond IsomerasesPhotochemistrySmall moleculeCatalysisMitochondriaCatalysischemistry.chemical_compoundCrystallographychemistryHumansThermodynamicsDensity functional theoryOxyanion holeAlgorithmsChemistry - A European Journal
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Modelling Photoionisation in Isocytosine: Potential Formation of Longer‐Lived Excited State Cations in its Keto Form

2021

The front cover artwork is provided by Dr. Javier Segarra-Martí (University of Valencia, Spain) and Prof. Michael J. Bearpark (Imperial College London, UK). The image shows the ultrafast photoionisation of DNA canonical nucleobase cytosine and the slower ionization process in non-canonical base isocytosine embedded within a DNA backbone. Read the full text of the Article at 10.1002/cphc.202100402.

Models MolecularPhysicsMolecular StructurebiologyUltraviolet RaysDNAKetonesPhotochemical Processesbiology.organism_classificationAtomic and Molecular Physics and OpticsNucleobaseCytosinechemistry.chemical_compoundCrystallographyFront coverchemistryCationsIonizationExcited stateA-DNAIsocytosinePhysical and Theoretical ChemistryValenciaChemPhysChem
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Enantioselective Mannich reaction of β-keto esters with aromatic and aliphatic imines using a cooperatively assisted bifunctional catalyst

2014

An efficient urea-enhanced thiourea catalyst enables the enantioselective Mannich reaction between β-keto esters and N-Boc-protected imines under mild conditions and minimal catalyst loading (1–3 mol %). Aliphatic and aromatic substituents are tolerated on both reaction partners, affording the products in good enantiomeric purity. The corresponding β-amino ketones can readily be accessed via decarboxylation without loss of enantiomeric purity.

Molecular StructureChemistryDecarboxylationOrganic ChemistryEnantioselective synthesisThioureaEstersStereoisomerismKetonesBiochemistryDecarboxylationCatalysisCatalysisBifunctional catalystchemistry.chemical_compoundThioureaOrganic chemistryUreaIminesPhysical and Theoretical ChemistryEnantiomerMannich reactionta116Organic Letters
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Origin and correction of the deviations in retention times at increasing flow rate with Chromolith columns.

2010

Chromoliths can be used at flow rates beyond those feasible for conventional microparticulate packed columns. Ideally, the plots of the retention time versus the inverse of delivered flow rate should exhibit y-intercept of zero. However, significant positive deviations correlating with the solute polarity were observed for several compounds chromatographed with a Chromolith column, owing to the increased system pressure. Consequently, the dead time marker exhibits a smaller deviation, making the retention factors depend on the flow rate. Chromoliths are made of a silica-based monolith encapsulated within a PEEK tube, and should suffer larger stress with pressure than stainless steel columns…

Monolithic HPLC columnAcetonitrilesPolymersAnalytical chemistryBiochemistryAnalytical ChemistryPolyethylene GlycolsStress (mechanics)PropanolaminesBenzophenonesPeekMonolithChromatography High Pressure Liquidgeographygeography.geographical_feature_categoryChromatographyChemistryOrganic ChemistryGeneral MedicineDead timeKetonesSilicon DioxideVolumetric flow rateVolume (thermodynamics)Linear ModelsBar (unit)Journal of chromatography. A
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Representativeness of Extracts of Offset Paper Packaging and Analysis of the Main Odor-Active Compounds

2004

Packagings often carry odors due to the support and printing inks. The aim of the investigation was to define a representative solvent-free extract of paper-based packaging materials printed by the offset process, for the identification of the odor-causing volatile compounds. Static headspace and solid-phase microextraction were the two applied extraction methods. Representativeness tests showed that the odor of the PDMS fiber extract gave satisfying odor similarities with the original packaging. The sample incubation was performed at 40 degrees C for 30 min, whereas the extraction time was 3 min at 40 degrees C. Extracts of both the nonprinted and printed papers of different batches were a…

PaperPrinting inkMass spectrometry01 natural sciences0404 agricultural biotechnologyOlfactometry[SDV.IDA]Life Sciences [q-bio]/Food engineeringSolvent extractionComputingMilieux_MISCELLANEOUSAldehydesChromatographyChemistry010401 analytical chemistryExtraction (chemistry)Food Packaging04 agricultural and veterinary sciencesGeneral Chemistry[SDV.IDA] Life Sciences [q-bio]/Food engineeringKetones040401 food science0104 chemical sciencesOdorOdorantsInkExtraction methods4-PHENYLCYCLOHEXENEVolatilizationGeneral Agricultural and Biological SciencesOFFSETpsychological phenomena and processesJournal of Agricultural and Food Chemistry
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Encapsulation of aroma compounds in biopolymeric emulsion based edible films to control flavour release

2010

Abstract Flavour loss strongly affects food quality. In order to decrease flavour changes during food conservation, different strategies could be used. Aroma compound encapsulation allows the protection of food flavour from loss and degradative reactions, like oxidation. Edible films could be an encapsulation matrix: in the case of emulsified film, lipid globules incorporated can act as carriers of active molecules, such as aroma compounds. Edible films prepared from ι-carrageenans are interesting for good mechanical and gas barrier properties. The aim of this study was to encapsulate different aroma compounds in an ι-carrageenan emulsion based edible film. Release of ten aroma compounds wa…

Polymers and PlasticsbiologyCarrageenan; Methyl-ketones; AlcoholsOrganic ChemistryFlavourFood preservationfood and beveragesLipid matrixCarrageenanbiology.organism_classificationCarrageenanchemistry.chemical_compoundchemistryMethyl-ketonesAlcoholsEmulsionMaterials ChemistryOrganic chemistryAroma compoundFood qualityAromaCarbohydrate Polymers
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