Search results for "Spectroscopy"

showing 10 items of 10293 documents

1H and13C NMR assignments and conformational analysis of some podocarpene derivatives

2000

This paper reports on the assignment of the 1 Ha nd 13 C NMR spectra of five podocarpene derivatives. Resonance assignments were made on the basis of one- and two-dimensional NMR techniques which included 1 H, 13 C, DEPT and HMQC and also 1D NOE difference spectroscopy. The ratio of the different conformers in the six- membered C-ring of the podocarpene system was determined by molecular mechanics calculations and analysis of proton spin-spin coupling constants. Copyright © 2000 John Wiley & Sons, Ltd.

Computational chemistryChemistryCarbon-13 NMR satelliteProton NMRGeneral Materials ScienceTransverse relaxation-optimized spectroscopyGeneral ChemistryFluorine-19 NMRNuclear magnetic resonance spectroscopyDEPTCarbon-13 NMRConformational isomerismMagnetic Resonance in Chemistry
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Bidentate pyridyl‐NHC ligands: synthesis, ground and excited state properties of their iron(II) complexes and role of the fac/mer isomerism

2021

International audience; Iron complexes are promising candidates for the development of sustainable molecular photoactive materials as an alternative to those based on precious metals such as Ir, Pt or Ru. These compounds possess metal-ligand charge transfer (MLCT) transitions potentially of high interest for energy conversion or photocatalysis applications if the ultrafast deactivation via lower-lying metal-centred (MC) states can be impeded. Following an introduction describing the main design strategies used so far to increase the MLCT lifetimes, we review some of our latest contributions to the field regarding bidentate Fe(II) complexes comprising N-heterocyclic carbene ligands. The disc…

Computational chemistryDenticity010405 organic chemistryChemistryIronBidentate ligands[CHIM.COOR] Chemical Sciences/Coordination chemistry010402 general chemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesInorganic Chemistry[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistryExcited state[CHIM.COOR]Chemical Sciences/Coordination chemistryCarbene ligandsUltrafast spectroscopy
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The partition sum of methane at high temperature

2008

11 pages, 4 Tables, 3 Figures Computer code on line at http://icb.u-bourgogne.fr/JSP/TIPS.jsp; International audience; The total internal partition function of methane is revisited to provide reliable values at high temperature. A multi-resolution approach is used to perform a direct summation over all the rovibrational energy levels up to the dissociation limit. A computer code is executable on line at the URL : http://icb.u-bourgogne.fr/JSP/TIPS.jsp to allow the calculation of the partition sum of methane at temperatures up to 3000 K. It also provides detailed information on the density of states in the relevant spectral ranges. The recommended values include uncertainty estimates. It is …

Computational spectroscopyRovibrational spectroscopy33.20.Vq 33.70.Fd01 natural sciences[PHYS.PHYS.PHYS-AO-PH] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]MethaneDissociation (chemistry)chemistry.chemical_compound0103 physical sciencesSpectroscopy010303 astronomy & astrophysicsSpectroscopySpectroscopic databasesPhysics[PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Radiation010304 chemical physicsPartition sumRotational–vibrational spectroscopyPartition function (mathematics)Atmospheric temperature rangeAtomic and Molecular Physics and OpticsComputational physicschemistry[ PHYS.PHYS.PHYS-AO-PH ] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Density of statesHITRANAtomic physicsMethane
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Acoustic spectral hole-burning in a two-level system ensemble

2020

AbstractMicroscopic two-level system (TLS) defects at dielectric surfaces and interfaces are among the dominant sources of loss in superconducting quantum circuits, and their properties have been extensively probed using superconducting resonators and qubits. We report on spectroscopy of TLSs coupling to the strain field in a surface acoustic wave (SAW) resonator. The narrow free spectral range of the resonator allows for two-tone spectroscopy where a strong pump is applied at one resonance, while a weak signal is used to probe a different mode. We map the spectral hole burnt by the pump tone as a function of frequency and extract parameters of the TLS ensemble. Our results suggest that det…

Computer Networks and CommunicationsQC1-999FOS: Physical sciences02 engineering and technologyDielectric01 natural sciencesMolecular physicsResonator0103 physical sciencesMesoscale and Nanoscale Physics (cond-mat.mes-hall)Computer Science (miscellaneous)Coherence (signal processing)010306 general physicsSpectroscopyPhysicsQuantum PhysicsCondensed Matter - Mesoscale and Nanoscale PhysicsPhysicsSurface acoustic waveResonanceStatistical and Nonlinear PhysicsQA75.5-76.95021001 nanoscience & nanotechnologyComputational Theory and MathematicsElectronic computers. Computer scienceSpectral hole burning0210 nano-technologyQuantum Physics (quant-ph)Free spectral range
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Continuous-flow tristimulus colorimetry: a new approach for gradient scanning techniques

1991

Abstract A flow-injection gradient scanning technique for colour evaluation by means of tristimulus colorimetry is described. Equipment and data acquisition requirements are discussed. The program CHROMA.FIA data the treatment and comparative chromatic analysis is presented. The chemical and flow conditions were optimized. Comparative studies using metallochromic indicators with both the flow-injection and the conventional batch procedures were made. The continuous-flow procedure provides good results and is more than fifteen times faster than the manual titrimetric procedure.

Computer programContinuous flowbusiness.industryChemistryAnalytical chemistryBiochemistryDiode arrayAnalytical ChemistryFlow systemData acquisitionCalibrationEnvironmental ChemistryChromatic scaleColorimetryProcess engineeringbusinessSpectroscopyAnalytica Chimica Acta
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Challenges in the determination of engineered nanomaterials in foods

2016

Detection, characterization, and quantification of engineering nanomaterials (ENMs) in foods is still a pending issue that needs to be tackle to protect consumers and to fix some related aspects (e.g. labelling or control). The global challenge for the analytical sciences is that ENMs are a new sort of analytes, involving both chemical (composition, mass and number concentration) and physical information (e.g. size, shape, aggregation). In this critical review, we evaluate and compare the procedures involved in the analytical methods and studies developed thus far for the identification and quantification of ENMs in food. We discuss advantages and limitation as well as prospects. We pointed…

Computer science010401 analytical chemistryEngineered nanomaterialsExtractionNanotechnologyENMs02 engineering and technology021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesAnalytical ChemistryFoodNanoparticlesBiochemical engineering0210 nano-technologyDeterminationSpectroscopyTrAC Trends in Analytical Chemistry
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Nanomaterial-based molecularly imprinted polymers for pesticides detection: Recent trends and future prospects

2020

Abstract Pesticides have been widely used in agricultural and industrial production to prevent pests. So, sensing pesticides with high selectivity and sensitivity level plays a significant role in food safety management. Molecularly imprinted polymer (MIP) based sensors overcome the current restriction of traditional detection approaches and offer great potential for efficient, low-cost and low detection limit using smart miniaturized equipment. But some drawbacks could come from the lack of electrocatalytic activity and conductivity of MIPs that restrict their utilization in the sensing field. The integration of NPs with MIPs has opened new ways for rapid screening and monitoring of pestic…

Computer science010401 analytical chemistryHigh selectivityMolecularly imprinted polymerFood safety managementNanotechnologyPesticide01 natural sciencesSpectroscopy0104 chemical sciencesAnalytical ChemistryNanomaterialsTrAC Trends in Analytical Chemistry
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Sorting of Single Biomolecules based on Fourier Polar Representation of Surface Enhanced Raman Spectra

2016

AbstractSurface enhanced Raman scattering (SERS) spectroscopy becomes increasingly used in biosensors for its capacity to detect and identify single molecules. In practice, a large number of SERS spectra are acquired and reliable ranking methods are thus essential for analysing all these data. Supervised classification strategies, which are the most effective methods, are usually applied but they require pre-determined models or classes. In this work, we propose to sort SERS spectra in unknown groups with an alternative strategy called Fourier polar representation. This non-fitting method based on simple Fourier sine and cosine transforms produces a fast and graphical representation for sor…

Computer science02 engineering and technologyBiosensing Techniquescomputer.software_genreSpectrum Analysis Raman01 natural sciencesSpectral lineArticlesymbols.namesakeCysteineSpectroscopyRepresentation (mathematics)Sine and cosine transformsMultidisciplinary010401 analytical chemistrySortingModels Theoretical021001 nanoscience & nanotechnology0104 chemical sciencesFourier transformPrincipal component analysisOdorantssymbolsPolarData mining0210 nano-technologyRaman spectroscopyBiological systemcomputerMonte Carlo MethodRaman scatteringAlgorithmsScientific Reports
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The Determination of Absorptive Properties of Atmospheric Aerosol Particles Using Photoacoustic Spectroscopy

1982

Chopped light produces an acoustic signal in a closed cell when it is absorbed by a sample of material within this cell. This effect is used to develop a method for measuring the absorption coefficient of aerosol particles. The possibilities and limits of the method are discussed.

Computer scienceAttenuation coefficientClosed cellAnalytical chemistryCarbon blackAtmospheric sciencesSignalPhotoacoustic spectroscopySample (graphics)Aerosol
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Portable low-cost open-source wireless spectrophotometer for fast and reliable measurements

2020

This article is based upon COST Action CA16215 and supported by the ERDF , European-Union Project No.1.1.1.2/16/I/001.

Computer scienceBiomedical EngineeringMobile application01 natural sciencesSpectrometerIndustrial and Manufacturing EngineeringAbsorptionSet (abstract data type)03 medical and health sciencesSoftwareArduino:NATURAL SCIENCES:Physics [Research Subject Categories]ArduinoWirelesslcsh:Science (General)InstrumentationSpectroscopy030304 developmental biologyCivil and Structural EngineeringDetection limit0303 health sciencesMeasure (data warehouse)Spectrometerbusiness.industryDynamic rangeMechanical Engineering010401 analytical chemistry0104 chemical sciencesbusinessComputer hardwarelcsh:Q1-390HardwareX
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