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showing 10 items of 1921 documents

CCDC 1032217: Experimental Crystal Structure Determination

2015

Related Article: Samia Benmansour, Cristina Vallés-García, Patricia Gómez-Claramunt, Guillermo Mínguez Espallargas, Carlos J. Gómez-García|2015|Inorg.Chem.|54|5410|doi:10.1021/acs.inorgchem.5b00451

Space GroupCrystallographycatena-(bis(Tri-n-butyl(methyl)phosphonium) tris(mu2-36-dibromo-25-dioxy-14-benzoquinone)-chromium-sodium)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2072597: Experimental Crystal Structure Determination

2021

Related Article: Juan-Ram��n Jim��nez, Buqing Xu, Hasnaa El Said, Yanling Li, Jurgen von Bardeleben, Lise-Marie Chamoreau, Rodrigue Lescou��zec, Sergiu Shova, Diana Visinescu, Maria-Gabriela Alexandru, Joan Cano, Miguel Julve|2021|Dalton Trans.|50|16353|doi:10.1039/D1DT02441H

Space GroupCrystallographycatena-(bis(mu-cyano)-(mu-25-bis(pyridin-2-yl)pyrazine)-aqua-hexacyano-(dimethyl sulfoxide)-(bis(1-methyl-1H-imidazol-2-yl)methanone)-tri-cobalt hydrate)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1026387: Experimental Crystal Structure Determination

2014

Related Article: Artur J. Moro, Bertrand Rome, Elisabet Aguiló, Julià Arcau, Rakesh Puttreddy, Kari Rissanen, João Carlos Lima, Laura Rodríguez|2015|Org.Biomol.Chem.|13|2026|doi:10.1039/C4OB02077D

Space GroupCrystallographycatena-(tris(7-(Prop-2-yn-1-yloxy)-2H-chromen-2-one)-tris(11'-(137-triaza-5-phosphabicyclo[3.3.1]nonane-37-diyl)diethanone)-tri-gold dichloromethane solvate)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 178153: Experimental Crystal Structure Determination

2002

Related Article: M.Zaidlewicz, W.Sokol, A.Wojtczak, P.Neumann, M.Nissinen|2002|Tetrahedron Lett.|43|3525|doi:10.1016/S0040-4039(02)00587-7

Space GroupCrystallographysyn-6-(alpha-Hydroxybenzyl)-3455-tetramethylcyclohex-2-enoneCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 984545: Experimental Crystal Structure Determination

2014

Related Article: Samia Benmansour, Eugenio Coronado, Carlos Giménez-Saiz, Carlos J. Gómez-García, Carola Rößer|2014|Eur.J.Inorg.Chem.||3949|doi:10.1002/ejic.201402023

Space GroupCrystallographytris(36-dichloro-45-dioxy-12-benzoquinone)-iron hexakis(2-(56-dihydro[13]dithiolo[45-b][14]dithiin-2-ylidene)-56-dihydro[13]dithiolo[45-b][14]dithiine) dichloromethane solvate sesquihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Fragmentation Pathways of Polycyclic Polyisoprenylated Benzophenones and Degradation Profile of Nemorosone by Multiple-Stage Tandem Mass Spectrometry

2009

Nemorosone is a polycyclic polyisoprenylated benzophenone (PPBs) with strong cytotoxic activity. It is the major constituent of Clusia rosea floral resin and brown Cuban propolis. Other PPBs found in Cuban propolis are oxidized and cyclized derivatives of nemorosone. The instability of PPBs carrying an enolizable 1,3-diketone system has been suggested, and the elucidation of this aspect is very fundamental for the evaluation of their biologic activity. Electrospray ionization multistage tandem mass spectrometry (ESI-MSn) was employed to shed light on the origin of these derivatives of nemorosone and to define the stability of this natural product. For this purpose, we initially performed MS…

Spectrometry Mass Electrospray IonizationElectrosprayNatural productChromatographyElectrospray ionizationFlavonoids LC-MSMass spectrometryTandem mass spectrometryTerpenoidMassBenzophenoneschemistry.chemical_compoundModels ChemicalchemistryStructural BiologyLiquid chromatography–mass spectrometrySpectroscopy Fourier Transform InfraredOrganic chemistryComputer SimulationPolycyclic CompoundsSpectroscopy
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Rapid determination of baicalin and total baicalein content in Scutellariae radix by ATR-IR and NIR spectroscopy

2013

In this study methods for the quantification of baicalin and total baicalein in Scutellariae radix with near infrared (NIR) spectroscopy and attenuated-total-reflectance mid-infrared (ATR-IR) spectroscopy in hyphenation with multivariate analysis were developed and compared. The reference analysis was performed by high performance liquid chromatography coupled to diode array detection (HPLC-DAD). Different pretreatments like standard normal variate (SNV), multiplicative scatter correction (MSC), first and second derivative Savitzky-Golay were applied on the spectra to optimize the calibrations. A principal component analysis was performed with both spectroscopic methods to distinguish wild …

Spectrophotometry InfraredATR-IRAnalytical chemistryPlant RootsHigh-performance liquid chromatographyArticleAnalytical Chemistrychemistry.chemical_compoundScutellariae radixScutellariae radixBaicalinLeast-Squares AnalysisSpectroscopySecond derivativeFlavonoidsPrincipal Component AnalysisChromatographybiologyNear-infrared spectroscopyNIRBaicaleinbiology.organism_classificationBaicaleinchemistryFlavanonesScutellaria baicalensisBaicalinScutellaria baicalensisTalanta
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Pressurized liquid extraction followed by liquid chromatography–mass spectrometry for determination of zearalenone in cereal flours

2010

Abstract A method for determination of zearalenone in cereal flour has been developed applying pressurized liquid extraction (PLE) using methanol/acetonitrile (50:50 v/v) as the extraction solvent. The extracted samples were analyzed with liquid chromatography coupled to mass spectrometry (LC–MS) with an electro spray ionisation interface (ESI). The method was validated as a quantitative confirmatory method according to the Eu Commission Decision 2002/657/EC. Recoveries of the extraction step data were satisfactory with values higher then 70%. Quantification limits (LOQ) were 5 μg/kg for ESI (+) and 1 μg/kg for ESI (−). Twenty one flour samples produced in different countries were extracted…

Standard curveSolventchemistry.chemical_compoundChromatographychemistryLiquid chromatography–mass spectrometryExtraction (chemistry)MethanolMass spectrometryAcetonitrileZearalenoneFood ScienceBiotechnologyFood Control
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Water and temperature contribution to the structuration of starch matrices in the presence of flavour

2015

The effect of hydrothermal treatments and flavours addition on starch structure and its physical properties were studied. Native wheat starch was treated at 2 different hydrations (water-starch ratios: 50/50 and 80/20 g w/w) and temperatures (65 and 85 °C) in the presence of flavours (ethyl hexanoate and 2-hexanone). The freshly prepared samples were subjected to DSC and flavour analysis. Flavour inclusion complex could not be detected by DSC, however the result of flavour analysis proved that there were flavours interactions with starch. Both ethyl hexanoate and 2-hexanone interacted with starch at similar rates. The highest flavour loss was found in the samples at high hydration and heate…

Starch structureWheat starchEthyl hexanoateTraitement hydrothermiqueHydrothermal treatmentSAXSArôme[SDV.IDA] Life Sciences [q-bio]/Food engineeringAmidon de bléHexanoate d’éthyleRVAStructure d’amidonPartial gelatinisationWAXSAmidon partiellement gélatiniséFlavour2-Hexanone
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New trends in nonequilibrium statistical mechanics: classical and quantum systems

2020

The main aim of this special issue is to report recent advances and new trends in nonequilibrium statistical mechanics of classical and quantum systems, from both theoretical and experimental points of view, within an interdisciplinary context. In particular, the nonlinear relaxation processes in the dynamics of out-of-equilibrium systems and the role of the metastability and environmental noise will be overviewed. Three main areas of nonequilibrium statistical mechanics will be covered: slow relaxation phenomena and dissipative dynamics; long-range interactions and classical systems; quantum systems. New trends such as quantum thermodynamics and novel types of quantum phase transitions occ…

Statistics and ProbabilityPhysicsQuantum phase transitionNonequilibrium statistical mechanicsClassical mechanicsSettore FIS/02 - Fisica Teorica Modelli E Metodi MatematiciStatistical and Nonlinear PhysicsMetastable states Quantum phase transitions Topological phases of matterStatistics Probability and UncertaintyQuantum
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