Search results for "Analytical"

showing 10 items of 9586 documents

Ferro- and Antiferromagnetic Interactions in Oxalato-Centered Inverse Hexanuclear and Chain Copper(II) Complexes with Pyrazole Derivatives.

2021

Two novel copper(II) complexes of formulas {[Cu(4-Hmpz)4][Cu(4-Hmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(ClO4)2]}n (1) and {[Cu(3,4,5-Htmpz)4]2[Cu(3,4,5-Htmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(H2O)(ClO4)]2[Cu2(3,4,5-Htmpz)4(µ-ox-κ2O1,O2:κ2O2′,O1′)]}(ClO4)4·6H2O (2) have been obtained by using 4-methyl-1H-pyrazole (4-Hmpz) and 3,4,5-trimethyl-1H-pyrazole (3,4,5-Htmpz) as terminal ligands and oxalate (ox) as the polyatomic inverse coordination center. The crystal structure of 1 consists of perchlorate counteranions and cationic copper(II) chains with alternating bis(pyrazole)(µ3-κ2O1,O2:κO2′:κO1′-oxalato)copper(II) and tetrakis(pyrazole)copper(II) fragments. The crystal structure of 2 is made up of perchlorat…

crystal structurePharmaceutical Sciencechemistry.chemical_elementCrystal structurePyrazoleOxalateArticleAnalytical ChemistryPerchloratechemistry.chemical_compoundQD241-441TheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYDrug DiscoveryAntiferromagnetismPhysical and Theoretical Chemistrypolynuclear complexesOrganic ChemistryPolyatomic ioninverse coordination chemistryoxalatoCopperpyrazoleCrystallographycoordination polymerschemistryChemistry (miscellaneous)Intramolecular forcecopperMolecular Medicinemagnetic propertiesMolecules (Basel, Switzerland)
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Stabilisation of Exotic Tribromide (Br3−) Anions via Supramolecular Interaction with A Tosylated Macrocyclic Pyridinophane. A Serendipitous Case.

2020

Tetraaza-macrocyclic pyridinophane L-Ts, decorated with a p-toluenesulfonyl (tosyl

crystal structureStackingSupramolecular chemistryPharmaceutical ScienceCrystal structureAnalytical Chemistrylcsh:QD241-441symbols.namesakechemistry.chemical_compoundlcsh:Organic chemistryTosylDrug DiscoveryPyridineHirshfeld surface analysisPhysical and Theoretical ChemistryN-heterocyclesanion- interactionsTribromideHydrogen bondOrganic Chemistryanion complexesCrystallographychemistryChemistry (miscellaneous)symbolsMolecular Medicinevan der Waals forceMolecules
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Chemical Composition and Evaluation of Insecticidal Activity of Calendula incana subsp. maritima and Laserpitium siler subsp. siculum Essential Oils …

2022

The problems of the environment and human health related to the use of synthetic and broad-spectrum insecticides have increasingly motivated scientific research on different alternatives and among these, the use of green systems, such as essential oils, have been explored. Several species of the Apiaceae and Asteraceae families, aromatic herbs rich in secondary bioactive metabolites, are used in the industrial field for pharmaceutical, cosmetic, and food purposes. Different essential oils extracted from some species of these families have shown acute toxicity and attractive and/or repellent effects towards different insects. In our work, we investigated the toxic potential of Calendula inca…

cubebene derivatives<i>Sitophilus oryzae</i><i>Necrobia rufipes</i>Sitophilus oryzae<i>Lasioderma serricorne</i>Pharmaceutical ScienceOrganic chemistryGC×GC-MS analysisNecrobia rufipesAnalytical ChemistryGC×GC-MS analysis; cubebene derivatives; <i>Necrobia rufipes</i>; <i>Sitophilus oryzae</i>; <i>Lasioderma serricorne</i>; <i>Rhyzopertha dominica</i>QD241-441Chemistry (miscellaneous)<i>Rhyzopertha dominica</i>Drug DiscoveryRhyzopertha dominicaMolecular MedicinebacteriaLasioderma serricornePhysical and Theoretical ChemistryMolecules
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Time-domain effective-one-body gravitational waveforms for coalescing compact binaries with nonprecessing spins, tides and self-spin effects

2018

We present TEOBResumS, a new effective-one-body (EOB) waveform model for nonprecessing (spin-aligned) and tidally interacting compact binaries.Spin-orbit and spin-spin effects are blended together by making use of the concept of centrifugal EOB radius. The point-mass sector through merger and ringdown is informed by numerical relativity (NR) simulations of binary black holes (BBH) computed with the SpEC and BAM codes. An improved, NR-based phenomenological description of the postmerger waveform is developed.The tidal sector of TEOBResumS describes the dynamics of neutron star binaries up to merger and incorporates a resummed attractive potential motivated by recent advances in the post-Newt…

data analysis methodneutron star: binaryGravitational waves effective-one-bodyAstronomyBinary numberFOS: Physical sciencesalternative theories of gravityGeneral Relativity and Quantum Cosmology (gr-qc)Parameter spacegravitational radiation: direct detection01 natural sciencesGeneral Relativity and Quantum CosmologyNumerical studies of other relativistic binaries; Neutron stars; black holes (astrophysics); Gravitational wavesNeutron starsGravitational wavesGravitationBinary black holebinary: coalescence0103 physical sciencesnumerical methodsblack holes (astrophysics)010306 general physicsGeneral Relativity and Quantum Cosmology; General Relativity and Quantum Cosmologyequation of statePhysics010308 nuclear & particles physicsNumerical studies of other relativistic binarieshigher-order: 0spin: effectGravitational Waves analytical template modeling LIGO Virgo numerical relativity Neutron Stars parameter estimationRadiusbinary: compactLIGOgravitational radiation detectorComputational physicsFIS/02 - FISICA TEORICA MODELLI E METODI MATEMATICIdetector: sensitivityNeutron starNumerical relativityblack hole: binaryGeneral relativityrelativity theorygravitation: self-force[PHYS.GRQC]Physics [physics]/General Relativity and Quantum Cosmology [gr-qc]effective-one-body
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Time-Frequency Characteristics of In-Home Radio Channels Influenced by Activities of the Home Occupant

2019

While aging is a serious global concern, in-home healthcare monitoring solutions are limited to context-aware systems and wearable sensors, which may easily be forgotten or ignored for privacy and comfort reasons. An emerging non-wearable fall detection approach is based on processing radio waves reflected off the body, who has no active interaction with the system. This paper reports on an indoor radio channel measurement campaign at 5.9 GHz, which has been conducted to study the impact of fall incidents and some daily life activities on the temporal and spectral properties of the indoor channel under both line-of-sight (LOS) and obstructed-LOS (OLOS) propagation conditions. The time-frequ…

device-free fall detectionComputer scienceReal-time computingWearable computerVDP::Information and communication science: 42002 engineering and technologylcsh:Chemical technology01 natural sciencesBiochemistryArticleAnalytical ChemistryDoppler power spectral density0202 electrical engineering electronic engineering information engineeringlcsh:TP1-1185Electrical and Electronic EngineeringInstrumentationnon-stationary radio channels010401 analytical chemistry020206 networking & telecommunicationsAtomic and Molecular Physics and Optics0104 chemical sciencesTime–frequency analysisspectrogram analysisVDP::Informasjons- og kommunikasjonsvitenskap: 420Radio waveCommunication channelambient-assisted livingSensors (Basel, Switzerland)
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Unusual Regioselectivity in the Opening of Epoxides by Carboxylic Acid Enediolates

2008

Addition of carboxylic acid dianions appears to be a potential alternative to the use of aluminium enolates for nucleophilic ring opening of epoxides. These conditions require the use of a sub-stoichiometric amount of amine (10% mol) for dianion generation and the previous activation of the epoxide with LiCl. Yields are good, with high regioselectivity, but the use of styrene oxide led, unexpectedly, to a mixture resulting from the attack on both the primary and secondary carbon atoms. Generally, a low diastereoselectivity is seen on attack at the primary center, however only one diastereoisomer was obtained from attack to the secondary carbon of the styrene oxide.

diastereoselectivity.Carboxylic acidCarboxylic AcidsPharmaceutical ScienceEpoxideMedicinal chemistryAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundLactoneslcsh:Organic chemistryNucleophileStyrene oxideDrug DiscoveryOrganic chemistryPhysical and Theoretical Chemistrylithium chloridechemistry.chemical_classificationNucleophilic additionCommunicationOrganic ChemistryDiastereomerRegioselectivitydiastereoselectivitynucleophilic additionchemistryChemistry (miscellaneous)regioselectivityMolecular MedicineEpoxy CompoundsAmine gas treatingMolecules
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A new copper(II) chelate complex with tridentate ligand: Synthesis, crystal and molecular electronic structure of aqua-(diethylenetriamine-N, N′, N′′…

2015

Abstract The crystals of a new aqua-(diethylenetriamine-N, N′, N′′)-copper(II) sulfate monohydrate have been synthesized by direct interaction of solid copper(II) sulfate pentahydrate with diethylenetriamine (deta). The crystal structure of [Cu(deta)H2O]SO4⋅H2O (1) has been determined by X-ray diffraction methods at 100 K and characterized using X-ray powder diffraction pattern: space group P 1 ¯ , a = 7.2819(4), b = 8.4669(4), c = 8.7020(3) A, α = 83.590(3), β = 89.620(4), γ = 84.946(4)°, Z = 2. The environment of the Cu(II) atom is a distorted, elongated square pyramid which consists of three nitrogen atoms of the deta molecule and oxygen atom of the water molecule in the basal plane of t…

diethylenetriaminesynthesisChemistryHydrogen bondOrganic ChemistryInorganic chemistrycrystal and molecular electronic structurechemistry.chemical_elementCopper(II) chelate complexCrystal structureCopperAnalytical ChemistryInorganic ChemistryCrystalCopper(II) sulfateCrystallographychemistry.chemical_compoundSquare pyramidDiethylenetriaminemedicineMoleculeSpectroscopyfire retardant propertiesmedicine.drugJournal of Molecular Structure
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Recent Advances on the Halo- and Cyano-Trifluoromethylation of Alkenes and Alkynes

2021

Incorporation of fluorine into organic molecules is a well-established strategy in the design of advanced materials, agrochemicals, and pharmaceuticals. Among numerous modern synthetic approaches, functionalization of unsaturated bonds with simultaneous addition of trifluoromethyl group along with other substituents is currently one of the most attractive methods undergoing wide-ranging development. In this review article, we discuss the most significant contributions made in this area during the last decade (2012−2021). The reactions reviewed in this work include chloro-, bromo-, iodo-, fluoro- and cyano-trifluoromethylation of alkenes and alkynes.

difunctionalizationPharmaceutical Sciencechemistry.chemical_elementReviewAdvanced materialsalkynesAnalytical ChemistryOrganic moleculeschemistry.chemical_compoundQD241-441Unsaturated bondsDrug DiscoveryPhysical and Theoretical ChemistryTrifluoromethylalkenesTrifluoromethylationcyanotrifluoromethylationOrganic ChemistryCombinatorial chemistryhalotrifluoromethylationchemistryAlquensChemistry (miscellaneous)Fluorinesynthetic methodsMolecular MedicineQuímica orgànica
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Availability of iron from milk-based formulas and fruit juices containing milk and cereals estimated by in vitro methods (solubility, dialysability) …

2007

Abstract Iron solubility, dialysability and transport and uptake (retention + transport) by Caco-2 cells as indicators of iron availability have been estimated in the in vitro gastrointestinal digests of infant foods (adapted, follow-up and toddler milk-based formulas and fruit juices containing milk and cereals (FMC)). Low correlation coefficients (in all cases R -squared ⩽ 37.1%) were obtained between iron solubility or dialysability versus transport or uptake efficiency – a fact emphasizing the importance of incorporating Caco-2 cell cultures to in vitro systems in order to adapt the conditions to those found in in vivo assays. The highest uptake efficiency corresponded to FMC (25.6–26.1…

digestive oral and skin physiologyGeneral MedicineAscorbic acidIn vitroAnalytical ChemistryBioavailabilityFerrouschemistry.chemical_compoundchemistryCaco-2Food scienceSulfateSolubilityDigestionFood ScienceFood Chemistry
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Direct Measurement of Mammographic X-Ray Spectra with a Digital CdTe Detection System

2012

In this work we present a detection system, based on a CdTe detector and an innovative digital pulse processing (DPP) system, for high-rate X-ray spectroscopy in mammography (1–30 keV). The DPP system performs a height and shape analysis of the detector pulses, sampled and digitized by a 14-bit, 100 MHz ADC. We show the results of the characterization of the detection system both at low and high photon counting rates by using monoenergetic X-ray sources and a nonclinical X-ray tube. The detection system exhibits excellent performance up to 830 kcps with an energy resolution of 4.5% FWHM at 22.1 keV. Direct measurements of clinical molybdenum X-ray spectra were carried out by using a pinhole…

digital pulse processingmammographyAnalytical chemistrylcsh:Chemical technologyBiochemistryArticleAnalytical ChemistryCdTe detectorsCdTe detectorOpticsmedicineCadmium CompoundsMammographylcsh:TP1-1185Computer SimulationElectrical and Electronic EngineeringInstrumentationPhysicsDosimetermedicine.diagnostic_testbusiness.industryAttenuationSpectrum AnalysisX-RaysDetectorSettore FIS/01 - Fisica Sperimentalehigh photon counting rateCdTe detectors Digital Pulse Processing MammographySignal Processing Computer-AssistedAtomic and Molecular Physics and OpticsPhoton countingSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)Full width at half maximumX-ray spectroscopy; high photon counting rate; CdTe detectors; digital pulse processing; mammographyIonization chamberX-ray spectroscopyTelluriumbusinessHalf-value layerSensors; Volume 12; Issue 6; Pages: 8390-8404
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