Search results for "LAL"

showing 10 items of 1001 documents

Impact of the ΔPhe configuration on the Boc-Gly-ΔPhe-NHMe conformation: experiment and theory

2019

Conformational propensities of N-t-butoxycarbonyl-glycine-(E/Z)-dehydrophenylalanine N′-methylamides (Boc-Gly-(E/Z)-ΔPhe-NHMe) in chloroform were investigated by NMR and IR techniques. The low-temperature crystal structure of the E isomer was determined by single crystal X-ray diffraction and the experimental data were elaborated by theoretical calculations using DFT (B3LYP, M06-2X) and MP2 approaches. The β-turn tendencies for both isomers were determined in the gas phase and in the presence of solvent. The obtained results reveal that the configuration of ΔPhe residue significantly affects the conformations of the studied dehydropeptides. The tendency to adopt β-turn conformations is sign…

Diffractionβ-turn tendencyCrystal structure010402 general chemistry01 natural sciencesGas phaseX-ray crystal structure analysischemistry.chemical_compoundResidue (chemistry)Peptide conformational analysisZ isomer0103 physical sciencesPhysical and Theoretical Chemistry13C NMRChloroform010304 chemical physicsDehydrophenylalanineE isomer1H NMRCondensed Matter Physics0104 chemical sciencesSolventCrystallographychemistryIR spectroscopyDFT-GIAO calculationsSingle crystalStructural Chemistry
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Testing Grammars for Parsability

1990

In the preceding chapters we have studied in detail the major methods of deterministic context-free parsing: strong LL(k) parsing (Chapter 5), simple precedence parsing (Chapter 5), canonical LR(k) parsing, LALR(k) parsing, and SLR(k) parsing (Chapters 6 and 7), and canonical LL(k) parsing (Chapter 8). Each of these methods induces a class of grammars that are “parsable” using that method, that is, a class of grammars for which a deterministic parser employing that method can be constructed. For example, the LL(k) grammars constitute the class of grammars parsable by the LL(k) parsing method. By definition, a context-free grammar is an LL(k) grammar if and only if its canonical LL(k) parser…

Discrete mathematicsClass (set theory)ParsingFinite-state machineGrammarComputer sciencemedia_common.quotation_subject16. Peace & justicecomputer.software_genreTuring machinesymbols.namesakeRule-based machine translationsymbolsRegular expressionLALR parsercomputermedia_common
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Studies on a new potential dopaminergic agent: in vitro BBB permeability, in vivo behavioural effects and molecular docking evaluation.

2015

2-Amino-N-[2-(3,4-dihydroxy-phenyl)-ethyl]-3-phenyl-propionamide (DA-PHEN) has been previously synthesized to obtain a potential prodrug capable of release dopamine (DA) into CNS. However, DA-PHEN could act per se as a dopaminergic drug. In this study, the permeability transport (Pe), obtained by parallel artificial permeability assay (PAMPA), indicated a low passive transcellular transport (Pe = 0.32 ± 0.01 × 10(-6 )cm/s). Using the Caco-2 cell system, the Papp AP-BL in absorptive direction (3.36 ± 0.02 × 10(-5 )cm/s) was significantly higher than the Papp BL-AP in secretive direction (1.75 ± 0.07 × 10(-5 )cm/s), suggesting a polarized transport. The efflux ratio (Papp AP-BL/Papp BL-AP = 0…

DopaminePhenylalanineDopamine AgentsPharmaceutical ScienceMorris water navigation taskPharmacologyBiologyCognitive flexibilityPermeabilityIn vivoDopamineSettore BIO/10 - BiochimicaPAMPA-BBBmedicineHumansIn vivo behavioural effectDopaminergicProdrugSettore CHIM/08 - Chimica FarmaceuticaMolecular Docking SimulationSettore CHIM/09 - Farmaceutico Tecnologico ApplicativoBlood-Brain BarrierParacellular transportMolecular docking D1-receptorSettore BIO/14 - FarmacologiaEffluxCaco-2 bidirectional assayCaco-2 CellsTranscytosisBehavioural despair testmedicine.drugJournal of drug targeting
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Conformational investigation of α, β‐dehydropeptides. XI. Molecular and crystal structure of Ac‐(Z )‐ΔPhe‐NMe2 as compared to those of related molecu…

2003

A series of three homologous dimethyldiamides Ac-(Z)-ΔPhe-NMe2, Ac-L-Phe-NMe2 and Ac-DL-Phe-NMe2 have been synthesized and their structures determined from single-crystal X-ray diffraction data. To learn more about the conformational preferences of the compounds studied, the fully relaxed ϕ, ψ conformational energy maps on the free molecules of Ac-ΔAla-NMe2 and Ac-(Z)-ΔPhe-NMe2 were obtained with the HF/3-21G method and the calculated minima re-optimized with the DFT/B3LYP/6-31G** method. The crystal state results have been compared with the literature data. The studied dimethyldiamide Ac-ΔXaa-NMe2 combines the double bond in positions α, β and the C-terminal tertiary amide within one molec…

Double bondphenylalanine derivativesStereochemistryαdimethylamidesCrystal structureX‐ray crystallographyBiochemistryβ‐dehydro amino acidschemistry.chemical_compoundStructural BiologyAb initio quantum chemistry methodsAmideDrug Discovery(Z )‐dehydrophenylalanine derivativePeptide bondMoleculeMolecular BiologyConformational isomerismPharmacologychemistry.chemical_classificationab initio calculationsOrganic Chemistryamino acid amidesGeneral MedicineCrystallographydehydropeptideschemistryMolecular MedicineRamachandran plotJournal of Peptide Science
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Consenso Delphi sobre el diagnóstico y manejo de la dislipidemia en pacientes con enfermedad renal crónica: análisis post-hoc del estudio DIANA

2016

Resumen Antecedentes y objetivos: Este estudio post hoc analizó la percepción de la importancia de la enfermedad renal crónica (ERC) en el cribado de la dislipidemia y en la elección del tratamiento con estatinas entre médicos de Atención Primaria (MAP) y otras especialidades mediante cuestionario Delphi. Métodos: El cuestionario incluyó 4 bloques de preguntas alrededor del paciente dislipémico con alteración del metabolismo hidrocarbonado. Aquí se presentan los resultados relacionados con la consideración de la ERC en el cribado y la elección de la estatina. Resultados: De los 497 expertos incluidos, el 58% eran MAP y el 42%, especialistas (35, el 7%, nefrólogos). Hubo consenso en realizar…

DyslipidaemiaPulmons -- Malalties obstructivesRiesgo cardiovascularDelphi Technique030204 cardiovascular system & hematologylcsh:RC870-923urologic and male genital diseases0302 clinical medicineRisk FactorsSurveys and QuestionnairesChronic kidney diseaseMedicine030212 general & internal medicinecomputer.programming_languagemedicine.diagnostic_testLipidsfemale genital diseases and pregnancy complicationsCardiovascular DiseasesNephrologylipids (amino acids peptides and proteins)medicine.symptomEstatinasGlomerular Filtration Ratemedicine.medical_specialtyConsensusStatinRonyons -- Malaltiesmedicine.drug_classRenal function03 medical and health sciencesInternal medicineDislipidemiaPost-hoc analysisAlbuminuriaHumansRenal Insufficiency ChronicIntensive care medicineEnfermedad renal crónicaDyslipidemiasbusiness.industryStatinsnutritional and metabolic diseasesGuidelineCardiovascular risklcsh:Diseases of the genitourinary system. Urologymedicine.diseaseEndocrinologyAlbuminuriabusinessLipid profilecomputerDelphiKidney diseaseNefrología (English Edition)
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Carga global, regional y nacional de neurológicas. Desórdenes, 1990-2016: un análisis sistemático para el Global Estudio de la carga de enfermedad 20…

2019

Publisher´s version (útgefin grein).

DánarmeinMaleEpidemiologyDiseasesMalalties cerebralsGlobal Burden of DiseaseDisability Evaluation0302 clinical medicineCase fatality ratePsychologyKonurCause of deathAged 80 and overeducation.field_of_studyIncidenceMenTaugavísindiddc:3. Good healthSálfræðiWorld healthMuerteNeurologyGBD 2016 Neurology CollaboratorsBrain diseasesQuality-Adjusted Life YearsAlzheimer diseaseCarga global de enfermedadesNervous systemmedicine.medical_specialtyGlobal burden of diseasesLífsgæðiArticle03 medical and health sciencesHealth SciencesHumansWomeneducationTrastornos neurológicosVLAGAgedScience & Technology3112 NeurosciencesGlobal Burden of Diseases030104 developmental biologyYears of potential life lostΕπιστήμες ΥγείαςDementiaHuman medicineNeurosciences & NeurologyNeurology (clinical)Clinical Medicine1109 NeurosciencesNeurological disorders030217 neurology & neurosurgerydementiaRC0301 basic medicinePediatricsDánartíðniNutrition and Disease3124 Neurology and psychiatryDisease StudyTaugasjúkdómarRisk FactorsVoeding en ZiekteCause of DeathGlobal healthPrevalenceNeurological disorders; Global Burden of DiseasesCauses of deathPublic healthMortality rateMental DisordersAge FactorsPublic Health Global Health Social Medicine and EpidemiologyMiddle Agedneurologic diseaseDeathLýðheilsaFemaleLife Sciences & BiomedicineQuality of lifeAdultPopulationClinical NeurologySex FactorsmedicineLife ScienceDisability-adjusted life year:Medicine [Science]MortalityPsychiatryDisease burdenNeurology & Neurosurgeryburden of neurological disordersFaraldsfræðibusiness.industryKlinisk medicinCauses de la mort1103 Clinical SciencesFolkhälsovetenskap global hälsa socialmedicin och epidemiologiSocioeconomic FactorsKarlarglobal disease burdenNervous System DiseasesCause of death/trendsbusiness
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Salud pública, espacio urbano y exclusión social en la España de posguerra: la epidemia de tifus exantemático en la ciudad de Valencia, 1941-1943

2019

Resumen Tras la Guerra Civil, las deficientes condiciones higiénico-dietéticas de gran parte de la población española favorecieron la aparición de enfermedades epidémicas. El tifus exantemático puso en jaque a las autoridades sanitarias, especialmente durante la primavera de 1941, cuando el ciclo epidemiológico de la enfermedad y la falta de infraestructuras se aliaron para provocar una grave crisis sanitaria. El régimen franquista, consciente de que esta situación dificultaba su legitimación, no dudó en utilizar la exclusión social como parte de su política sanitaria contra esta epidemia. El artículo analiza en profundidad el caso de Valencia, una ciudad que durante la guerra, por hallarse…

Economic growthmedicine.medical_specialtyRefugeetifus exantemáticoEspañaPopulation0507 social and economic geographylcsh:R131-687050701 cultural studies060104 historysalud públicaHistory and Philosophy of Sciencelcsh:History of medicine. Medical expeditionsPolitical sciencemedicineMalalties transmissibles0601 history and archaeologyeducationLegitimacyHealth policyfranquismoeducation.field_of_studyexanthematic typhusPublic healthpublic health05 social sciences06 humanities and the artsGeneral Medicinemedicine.diseaseSalut públicaSpanish Civil WarSpainSocial exclusionValenciaFrancoismTyphusHistória, Ciências, Saúde-Manguinhos
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Derivatization of ephedrine with o-phthaldialdehyde for liquid chromatography after treatment with sodium hypochlorite.

2000

The usefulness of the reaction with NaClO followed by derivatization with o-phthaldialdehyde (OPA) and N-acetyl-L-cysteine (NAC) has been investigated for the chromatographic analysis of ephedrine. The influence of parameters affecting the two-stage reaction has been evaluated, including concentration of NaClO, time of reaction, temperature and pH. On the basis of these studies, conditions for the pre-column and (automated) post-column determination of ephedrine are presented. The described conditions have been applied to the measurement of ephedrine in the concentration intervals 0.2-20.0 microg/ml and 2.0-50.0 microg/ml for the pre-column and post-column methods, respectively. The possibi…

EphedrineChromatographySodium HypochloriteOrganic ChemistryGeneral MedicineBiochemistryHigh-performance liquid chromatographyFluorescence spectroscopyAnalytical ChemistryO-Phthalaldehydechemistry.chemical_compoundchemistrySodium hypochloritemedicineSample preparationEphedrineDerivatizationDerivative (chemistry)o-Phthalaldehydemedicine.drugChromatography LiquidJournal of chromatography. A
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Linked cyclopentadienyl-amido titanium catalysts supported on pyridylethylsilane-modified silica for heterogeneous ethylene homo- and copolymerization

2003

Abstract Linked cyclopentadienyl-amido titanium dimethyl and dichloro complexes, Ti(η 5 :η 1 -C 5 Me 4 SiMe 2 N t Bu)X 2 (X=Me, Cl), were reacted with trityl tetrakis(pentafluorophenyl)borate (TB), Ph 3 C + [B(C 6 F 5 ) 4 ] − , and methylaluminoxane (MAO), followed by treatment with toluene suspension of pyridylethylsilane-modified silica, to give two new supported-type titanium catalysts, PySTiTB and PySTiMAO. PySTiTB polymerized ethylene in the presence of triisobutylaluminum (TIBA) in hexane at 60 °C and 5 bar with slightly higher activity than the corresponding homogeneous system under the same conditions. PySTiMAO showed relatively high activity even without any use of alkylaluminum co…

EthyleneCyclopentadieneProcess Chemistry and TechnologyMethylaluminoxanechemistry.chemical_elementPolyethyleneCatalysisCatalysischemistry.chemical_compoundCyclopentadienyl complexchemistryPolymer chemistryCopolymerPhysical and Theoretical ChemistryTitaniumJournal of Molecular Catalysis A: Chemical
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Titanium complexes having chelating diaryloxo ligands bridged by tellurium and their catalytic behavior in the polymerization of ethylene

2000

A series of titanium complexes having tellurium-bridged chelating bis(aryloxo) ligands, [TiX2{2,2‘-Te(4-R-6-R‘-C6H2O)2}]2 (5b, X = Cl, R = Me, R‘ = tBu; 6a, X = OiPr, R = R‘ = H; 6b, X = OiPr, R = Me, R‘ = tBu), were prepared. 5b and 6b were determined by X-ray crystallography to have chloro- and isopropoxo-bridged dimeric structures. The structural data for these complexes indicated that the Ti−Te coordination bonds were stronger than the similar Ti−S coordination bonds in the corresponding sulfur-bridged complexes. The reaction of (C5R5)TiCl3 (R = H, Me) with 2,2‘-Te(4-R-6-R‘-C6H2OLi)2 gave monocyclopentadienyl derivatives, (C5R5)TiCl{2,2‘-Te(4-Me-6-tBu-C6H2O)2} (7, R = H; 8, R = Me). The…

EthyleneOrganic ChemistryMethylaluminoxanechemistry.chemical_elementMedicinal chemistryCatalysisInorganic Chemistrychemistry.chemical_compoundMonomerchemistryPolymerizationOrganic chemistryChelationPhysical and Theoretical ChemistryTelluriumTitanium
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