Search results for "Phosphor"

showing 10 items of 1952 documents

Thermal and electrochemically assisted Pd-Cl bond cleavage in the d9-d9 Pd2dppm2Cl2 complex by Pd3 dppm3COn+ clusters (n = 2, 1, 0).

2007

A new aspect of reactivity of the cluster [Pd3(dppm)3(micro3-CO)]n+, ([Pd3]n+, n = 2, 1, 0) with the low-valent metal-metal-bonded Pd2(dppm)2Cl2 dimer (Pd2Cl2) was observed using electrochemical techniques. The direct reaction between [Pd3]2+ and Pd2Cl2 in THF at room temperature leads to the known [Pd3(dppm)3(micro3-CO)(Cl)]+ ([Pd3(Cl)]+) adduct and the monocationic species Pd2(dppm)2Cl+ (very likely as Pd2(dppm)2(Cl)(THF)+, [Pd2Cl]+) as unambiguously demonstrated by UV-vis and 31P NMR spectroscopy. In this case, [Pd3]2+ acts as a strong Lewis acid toward the labile Cl- ion, which weakly dissociates from Pd2Cl2 (i.e., dissociative mechanism). Host-guest interactions between [Pd3]2+ and Pd2…

Models MolecularStereochemistryDimer[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistryElectrochemistry01 natural sciencesMedicinal chemistryDissociation (chemistry)AdductIonInorganic Chemistrychemistry.chemical_compoundOrganophosphorus CompoundsElectrochemistryOrganometallic CompoundsMoleculeComputer SimulationLewis acids and basesPhysical and Theoretical ChemistryBond cleavageComputingMilieux_MISCELLANEOUSMolecular Structure010405 organic chemistryTemperature[ CHIM.INOR ] Chemical Sciences/Inorganic chemistry0104 chemical scienceschemistryChlorinePalladiumInorganic chemistry
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Hydrogen and copper ion-induced molecular reorganizations in scorpionand-like ligands. A potentiometric, mechanistic, and solid-state study.

2007

Two aza scorpionand-like macrocycles (L2 and L3) have been prepared. L2 consists of a tren amine with two of its arms cyclizized with a 2,6-bis(bromomethyl)pyridine. In L3, the remaining pendant arm has been further functionalized with a fluorophoric naphthalene group. X-ray data on the compounds [H(L3)]ClO4.H2O (1) and [H3(L3)](H2PO4)3.H2O (2) as well as solution studies (pH-metry, UV-vis, and fluorescence data) show the movement of the pendant arm as a result of the protonation degree of the macrocycles and of the formation of intramolecular hydrogen bonds. X-ray data on the complexes [Cu(L2)](ClO4)2]2.H2O (3) and [Cu(L3)](ClO4)2 (4) and solution studies on Cu2+ coordination show the impl…

Models MolecularStereochemistryPotentiometric titrationProtonationLigandsInorganic ChemistryMetalchemistry.chemical_compoundX-Ray DiffractionPyridinePolymer chemistryMoleculePhysical and Theoretical ChemistryIonsMolecular StructureHydrogen bondWaterHydrogen-Ion ConcentrationPhosphorus AcidsKineticschemistryvisual_artIntramolecular forcevisual_art.visual_art_mediumPotentiometryAmine gas treatingCopperHydrogenInorganic chemistry
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Structure-Activity Relationships and X-ray Structures Describing the Selectivity of Aminopyrazole Inhibitors for c-Jun N-terminal Kinase 3 (JNK3) ove…

2009

c-Jun N-terminal kinase 3alpha1 (JNK3alpha1) is a mitogen-activated protein kinase family member expressed primarily in the brain that phosphorylates protein transcription factors, including c-Jun and activating transcription factor-2 (ATF-2) upon activation by a variety of stress-based stimuli. In this study, we set out to design JNK3-selective inhibitors that had >1000-fold selectivity over p38, another closely related mitogen-activated protein kinase family member. To do this we employed traditional medicinal chemistry principles coupled with structure-based drug design. Inhibitors from the aminopyrazole class, such as SR-3576, were found to be very potent JNK3 inhibitors (IC(50) = 7 nm)…

Models MolecularStereochemistryProtein ConformationPyrazoleCrystallography X-RayBiochemistryp38 Mitogen-Activated Protein Kinaseschemistry.chemical_compoundStructure-Activity RelationshipProtein structureMitogen-Activated Protein Kinase 10Insulin-Secreting CellsStructure–activity relationshipAnimalsHumansEnzyme InhibitorsPhosphorylationProtein kinase AMolecular BiologyCells CulturedIndazolebiologyActivating Transcription Factor 2Active siteCell BiologyActivating transcription factor 2RatschemistryProtein Structure and Foldingbiology.proteinPyrazolesSelectivityJournal of Biological Chemistry
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Ambident PCN Heterocycles: N- and P-Phosphanylation of Lithium 1,3-Benzazaphospholides

2009

Synthetic and structural aspects of the phosphanylation of 1,3-benzazaphospholides 1(Li), ambident benzofused azaphosphacyclopentadienides, are presented. The unusual properties of phospholyl-1,3,2-diazaphospholes inspired us to study the coupling of 1(Li) with chlorodiazaphospholene 2, which led to the N-substituted product 3. Reaction of 1(Li) with chlorodiphenyl- and chlorodicyclohexylphosphane likewise gave N-phosphanylbenzazaphospholes 4 and 5, whereas with the more bulky di-tert-butyl- and di-1-adamantylchlorophosphanes, the diphosphanes 6 and 7 are obtained; in the case of 7 they are isolated as a dimeric LiCl(THF) adduct. Structural information was provided by single-crystal X-ray d…

Models MolecularSteric effectsMagnetic Resonance SpectroscopyChemistryStereochemistryOrganic Chemistrychemistry.chemical_elementStereoisomerismGeneral ChemistryNuclear magnetic resonance spectroscopyLithiumCrystallography X-RayRing (chemistry)Quantum chemistryCatalysisAdductCrystallographyOrganophosphorus CompoundsHeterocyclic CompoundsThermodynamicsLithiumConformational isomerismTwo-dimensional nuclear magnetic resonance spectroscopyChemistry - A European Journal
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β2 integrin phosphorylation on Thr758 acts as a molecular switch to regulate 14-3-3 and filamin binding

2008

AbstractLeukocyte integrins of the β2 family are essential for immune cell-cell adhesion. In activated cells, β2 integrins are phosphorylated on the cytoplasmic Thr758, leading to 14-3-3 protein recruitment to the β2 integrin. The mutation of this phosphorylation site impairs cell adhesion, actin reorganization, and cell spreading. Thr758 is contained in a Thr triplet of β2 that also mediates binding to filamin. Here, we investigated the binding of filamin, talin, and 14-3-3 proteins to phosphorylated and unphosphorylated β2 integrins by biochemical methods and x-ray crystallography. 14-3-3 proteins bound only to the phosphorylated integrin cytoplasmic peptide, with a high affinity (Kd, 261…

Models MolecularTalinThreonineanimal structuresFilaminsT-LymphocytesStatic ElectricityImmunologyIntegrinCD18macromolecular substancesPlasma protein bindingIn Vitro TechniquesFilaminBiochemistryJurkat Cells03 medical and health sciencesFilamin bindingContractile Proteins0302 clinical medicineCell AdhesionHumansProtein Interaction Domains and MotifsPhosphorylationCell adhesion030304 developmental biology0303 health sciencesBinding SitesbiologyChemistryMicrofilament ProteinsCell BiologyHematologyIntercellular Adhesion Molecule-1Talin bindingRecombinant ProteinsCell biology14-3-3 ProteinsAmino Acid SubstitutionCD18 AntigensMultiprotein Complexes030220 oncology & carcinogenesisbiology.proteinPhosphorylationProtein BindingBlood
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Substituted phosphonic analogues of phenylglycine as inhibitors of phenylalanine ammonia lyase from potatoes.

2018

A series of phosphonic acid analogues of phenylglycine variously substituted in phenyl ring have been synthesized and evaluated for their inhibitory activity towards potato l-phenylalanine ammonia lyase. Most of the compounds appeared to act as moderate (micromolar) inhibitors of the enzyme. Analysis of their binding performed using molecular modeling have shown that they might be bound either in active site of the enzyme or in the non-physiologic site. The latter one is located in adjoining deep site nearby the to the entrance channel for substrate into active site.

Models MolecularaminophosphonatesMolecular modelStereochemistryPhosphorous AcidsGlycinePhenylalanine ammonia-lyase010402 general chemistryRing (chemistry)01 natural sciencesBiochemistryAmmoniachemistry.chemical_compoundStructure-Activity RelationshipPAL inhibitorsEnzyme InhibitorsPhenylalanine Ammonia-LyaseSolanum tuberosumchemistry.chemical_classificationbiologymolecular modeling010405 organic chemistryActive siteSubstrate (chemistry)General MedicineLyase0104 chemical sciencesEnzymechemistrybiology.proteinBiochimie
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Reaction of 3-Amino-1,2,4-Triazole with Diethyl Phosphite and Triethyl Orthoformate: Acid-Base Properties and Antiosteoporotic Activities of the Prod…

2017

The reaction of diethyl phosphite with triethyl orthoformate and a primary amine followed by hydrolysis is presented, and the reaction was suitable for the preparation of (aminomethylene)bisphosphonates. 3-Amino-1,2,4-triazole was chosen as an interesting substrate for this reaction because it possesses multiple groups that can serve as the amino component in the reaction-namely, the side-chain and triazole amines. This substrate readily forms 1,2,4-triazolyl-3-yl-aminomethylenebisphosphonic acid (compound 1) as a major product, along with N-ethylated bisphosphonates as side products. The in vitro antiproliferative effects of the synthesized aminomethylenebisphosphonic acids against J774E m…

Models Molecularorganophosphorus chemistryPhosphitesBase (chemistry)FormatesTriazoleMolecular ConformationPharmaceutical ScienceOsteoclastsApoptosis010402 general chemistry01 natural sciencesAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundHydrolysisMicelcsh:Organic chemistryCell Line TumorDrug DiscoveryOrganic chemistryAnimals3-Amino-124-triazolePhysical and Theoretical Chemistrycrystallographychemistry.chemical_classificationBone Density Conservation AgentsDiphosphonates010405 organic chemistryChemistryCommunicationOrganic ChemistrySubstrate (chemistry)Triazolesthree-component reactionTriethyl orthoformateUV-Vis spectroscopyMagnetic Resonance Imaging0104 chemical sciencesP-containing drugstriazoleChemistry (miscellaneous)potentiometryaminomethylenebisphosponatesMolecular Medicineanti-proliferative activityAmine gas treatingpH-titrationbisphosphonic acidsMolecules (Basel, Switzerland)
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Dynamical Properties of Self-Assembled Surfactant-Based Mixtures: Triggering of One-Dimensional Anomalous Diffusion in Bis(2-ethylhexyl)phosphoric Ac…

2013

The dynamic features of bis(2-ethylhexyl)phosphoric acid (HDEHP)/n-octylamine (NOA) mixtures have been investigated as a function of the NOA mole fraction and temperature by (1)H NMR spectroscopy and rheometry. All data consistently suggest a composition-induced glass-forming behavior. The microscopic factors responsible for this behavior have been highlighted and have been explained in terms of driving forces given by HDEHP-to-NOA proton transfer, the tendency of the resulting species to establish H bonds and to spatially segregate the alkyl chains. The study sheds light on the molecular mechanism responsible for the peculiar behavior of transport properties in such systems and furnishes b…

Models Molecularsurfactant mixtures self-assembly dynamical propertiesProtonAnomalous diffusionMole fractionSelf assembledDiffusionSurface-Active Agentschemistry.chemical_compoundPulmonary surfactantElectrochemistryOrganic chemistryGeneral Materials ScienceAminesPhosphoric acidSpectroscopyAlkylSettore CHIM/02 - Chimica Fisicachemistry.chemical_classificationMolecular StructureRheometryChemistrySurfaces and InterfacesCondensed Matter PhysicsOrganophosphatesThermodynamicsPhysical chemistryRheologyLangmuir
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An Ex-vivo Shear and tensile bond strengths of orthodontic molar tubes bonded using different techniques

2017

Background Molar bonding procedures need continuous improvement to be widely accepted clinically and eventually replace molar bands. Material and methods The purpose of this study was to determine the effects of enamel micro-abrasion and silane coating of the base of molar tubes on shear and tensile bond strengths of orthodontic molar tubes. A total of 200 third molars were randomly allocated into five groups of 40 teeth as follows: group 1: molar tubes bonded to etched teeth (37% phosphoric acid gel; control group); group 2: molar tubes bonded to etched teeth (37% phosphoric acid) with the addition of silane to the base of molar tubes; group 3: molar tubes bonded to teeth pre-treated with …

MolarMaterials scienceDentistry030207 dermatology & venereal diseases03 medical and health scienceschemistry.chemical_compound0302 clinical medicinestomatognathic systemUltimate tensile strengthShear strengthComposite materialGeneral DentistryPhosphoric acidUniversal testing machineEnamel paintbusiness.industryBond strength030206 dentistry:CIENCIAS MÉDICAS [UNESCO]Silanestomatognathic diseaseschemistryvisual_artUNESCO::CIENCIAS MÉDICASvisual_art.visual_art_mediumbusiness
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Evaluation of the enamel etching pattern of self-etching adhesives

2010

Objectives: To evaluate the capacity of seven self-etching adhesives (SEAs) to demineralize ground enamel in comparison with traditional phosphoric acid etchant (PAE) using SEM and statistical analysis. Materials and methods: 80 caries-free extracted human third molars were divided into 8 groups ( n = 10). Enamel bur-cut surfaces were prepared and, strictly following the manufacturers’ instructions, treated with three priming agents of two-step self-etching adhesives: Aqua Resulcin Prime (Group 1); Peak™ (Group 2); Clearfil Protect Bond (Group 3); four one-step self-etch (all-in-one) adhesives, G-Bond (Group 4); Artegral One (Group 5); Clearfil S3 Bond (Group 6); Adper Easy Bond (Group 7); …

MolarMaterials scienceEnamel paintbusiness.industryDentistryDemineralizationchemistry.chemical_compoundstomatognathic systemchemistryMechanics of MaterialsGroup (periodic table)Etching (microfabrication)visual_artvisual_art.visual_art_mediumGeneral Materials ScienceAdhesivebusinessGeneral DentistryPhosphoric acidNuclear chemistrySelf etching adhesiveDental Materials
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