Search results for "cyclic"

showing 9 items of 2439 documents

Synthesis and Structure-Affinity Relationships of Spirocyclic Benzopyrans with Exocyclic Amino Moiety

2019

σ1 and/or σ2 receptors play a crucial role in pathological conditions such as pain, neurodegenerative disorders, and cancer. A set of spirocyclic cyclohexanes with diverse O-heterocycles and amino moieties (general structure III) was prepared and pharmacologically evaluated. In structure-activity relationships studies, the σ1 receptor affinity and σ1:σ2 selectivity were correlated with the stereochemistry, the kind and substitution pattern of the O-heterocycle, and the substituents at the exocyclic amino moiety. cis-configured 2-benzopyran cis-11b bearing a methoxy group and a tertiary cyclohexylmethylamino moiety showed the highest σ1 affinity ( Ki = 1.9 nM) of this series of compounds. In…

synthesisexocyclic amino moietyReceptors Opioid mudocking studieCrystallography X-RayLigands01 natural sciencesopioid receptorschemistry.chemical_compoundProtein structureDrug DiscoveryMoiety0303 health sciencesσ1 receptor ligandsstructure (σ1) affinity relationshipmolecular dynamicBenzyl groupMolecular MedicinesynthesiBenzopyransSelectivityHydrophobic and Hydrophilic Interactionsfree binding enthalpyStereochemistrychange of receptor profileMolecular Dynamics Simulation03 medical and health sciencesStructure-Activity Relationshipσ1 receptor ligands; spirocyclic compounds; benzopyrans; benzofurans; exocyclic amino moiety; synthesis; structure (σ1) affinity relationships; σ1 antagonistic activity; receptor selectivity; molecular dynamics; docking studies; free binding enthalpy; X-ray crystal structure; opioid receptors; MOR affinity; change of receptor profile; structure MOR affinity relationshipsstructure (σ1) affinity relationshipsStructure–activity relationshipHumansReceptors sigmaBenzopyransSpiro Compoundsspirocyclic compoundBinding siteMOR affinity030304 developmental biologybenzopyranbenzofuransσ1 receptor ligandBinding Sitesspirocyclic compoundsreceptor selectivitystructure MOR affinity relationshipsdocking studiesbenzofuranopioid receptorX-ray crystal structuremolecular dynamics0104 chemical sciencesProtein Structure Tertiary010404 medicinal & biomolecular chemistrychemistrySalt bridgeσ1 antagonistic activity
researchProduct

A New Augmented Lagrangian Approach for $L^1$-mean Curvature Image Denoising

2015

Variational methods are commonly used to solve noise removal problems. In this paper, we present an augmented Lagrangian-based approach that uses a discrete form of the L1-norm of the mean curvature of the graph of the image as a regularizer, discretization being achieved via a finite element method. When a particular alternating direction method of multipliers is applied to the solution of the resulting saddle-point problem, this solution reduces to an iterative sequential solution of four subproblems. These subproblems are solved using Newton’s method, the conjugate gradient method, and a partial solution variant of the cyclic reduction method. The approach considered here differs from ex…

ta113Mean curvatureDiscretizationimage denoisingAugmented Lagrangian methodApplied MathematicsGeneral Mathematicsmean curvaturekuvankäsittelyTopologyFinite element methodimage processingsymbols.namesakeLagrangian relaxationLagrange multiplierConjugate gradient methodsymbolsApplied mathematicsaugmented Lagrangian methodalternating direction methods of multipliersvariational modelMathematicsCyclic reductionSIAM Journal on Imaging Sciences
researchProduct

LEAVES OFNERIUM OLEANDERL. AS BIOACCUMULATORS OF POLYCYCLIC AROMATIC HYDROCARBONS (PAH) IN THE AIR OF PALERMO (ITALY): EXTRACTION AND GC-MS ANALYSIS,…

2005

Polycyclic Aromatic Hydrocarbons (PAH) were determined in the leaves of Nerium oleander L. an evergreen plant that occurs widely in both urban and rural areas, to monitor the degree of pollution in the urban area of Palermo (Italy) compared to remote areas. Twenty sites (urban roadside, urban, urban park, suburban and rural) in and around Palermo city were investigated. The purpose of this research was to investigate concentration levels and distribution patterns and relate them to possible sources. Analysis of 19 PAH was performed by gas chromatography/mass spectrometry (GCMS) using selected ion monitoring (SIM). The total amount of PAH ranged from 10 to 166 μg/Kg d.w. Each source gives ri…

total PAHPollutionPollutantleavegeographygeography.geographical_feature_categoryPolymers and PlasticsChemistrymedia_common.quotation_subjectOrganic ChemistryPAHEvergreenUrban areaPolycyclic aromatic hydrocarbonEnvironmental chemistrybiomonitoringBiomonitoringMaterials ChemistrySelected ion monitoringGas chromatographyGas chromatography–mass spectrometryoleander.media_commonPolycyclic Aromatic Compounds
researchProduct

The LuxR Regulators PcoR and RfiA Co-regulate Antimicrobial Peptide and Alginate Production in

2017

Cyclic lipopeptides (CLPs) are considered as some of the most important secondary metabolites in different plant-associated bacteria, thanks to their antimicrobial, cytotoxic, and surfactant properties. In this study, our aim was to investigate the role of the Quorum Sensing (QS) system, PcoI/PcoR, and the LuxR-type transcriptional regulator RfiA in CLP production in the phytopatogenic bacterium, Pseudomonas corrugata based on our previous work where we reported that the pcoR and rfiA mutants were devoid of the CLPs cormycin and corpeptin production. Due to the close genetic link between the QS system and the RfiA (rfiA is co-transcribed with pcoI), it was difficult to ascertain the specifi…

transcriptional analysiscyclic lipopeptidesexopolysaccaridesnon-ribosomal peptidesRNA-seqMicrobiologyOriginal ResearchFrontiers in microbiology
researchProduct

Double copies of blaKPC-3::Tn4401a on an IncX3 plasmid in Klebsiella pneumoniae successful clone ST512 from Italy

2015

ABSTRACT A carbapenem-resistant sequence type 512 (ST512) Klebsiella pneumoniae carbapenemase 3 (KPC-3)-producing K. pneumoniae strain showing a novel variant plasmid content was isolated in Palermo, Italy, in 2014. ST512 is a worldwide successful clone associated with the spread of bla KPC genes located on the IncFIIk pKpQIL plasmid. In our ST512 strain, the bla KPC-3 gene was unusually located on an IncX3 plasmid, whose complete sequence was determined. Two copies of bla KPC-3 ::Tn 4401a caused by intramolecular transposition events were detected in the plasmid.

transposonsequence analysispolymerase chain reactionDrug ResistanceGene DosageSettore MED/42 - Igiene Generale E Applicatabacterial proteinbeta-Lactamaseopen reading framecarbapenemasePlasmidminocyclineplasmid DNAmeropenemPharmacology (medical)geneticscolistincefpodoximeceftazidime610 Medicine & healthCarbapenemBacterialpolymyxin Btimentingene expression regulationbacteriumKlebsiella pneumoniae carbapenemase 3 producing Klebsiella pneumoniae3. Good healthantiinfective agentmicrobial sensitivity testKlebsiella pneumoniaeItalypriority journaltigecyclineMultipleclone (Java method)cefotaxime030106 microbiologyKlebsiella pneumoniae carbapenemase 3tobramycinMicrobial Sensitivity Testsgentamicinpiperacillin plus tazobactamchemistryGene dosageArticleMicrobiology03 medical and health sciencesComplete sequenceClone CellOpen Reading FramesertapenemBacterial Proteinsmultidrug resistanceextensively drug resistant bacteriumAnti-Bacterial AgentcefepimePharmacologylevofloxacinmicrobiologycefoxitinbiochemical phenomena metabolism and nutritionbacterial infections and mycosesVirologyAnti-Bacterial Agents; Bacterial Proteins; Carbapenems; Clone Cells; Drug Resistance Multiple Bacterial; Gene Dosage; Italy; Klebsiella Infections; Klebsiella pneumoniae; Microbial Sensitivity Tests; Open Reading Frames; Plasmids; beta-Lactamases; DNA Transposable Elements; Gene Expression Regulation Bacterial; Pharmacology (medical); Pharmacology; Infectious Diseasesantibiotic sensitivityClone CellsKlebsiella InfectionsceftriaxoneCarbapenemsbacterial genetics0301 basic medicinemolecular cloningSettore MED/07 - Microbiologia E Microbiologia ClinicaKlebsiella pneumoniaeTransposition (music)Drug Resistance Multiple Bacterialpolycyclic compoundsgenetic screeningcell clonecarbapenem derivativeKlebsiella infectionunclassified drugAnti-Bacterial AgentsInfectious Diseasesbacterial genePlasmidsenzymologydoripenemBiologyminimum inhibitory concentrationbeta-Lactamasesbeta lactamaseMechanisms of ResistanceciprofloxacinAmikacin; aztreonam; carbapenemase; cefepime; cefotaxime; cefoxitin; cefpodoxime; ceftazidime; ceftriaxone; ciprofloxacin; colistin; cotrimoxazole; doripenem; doxycycline; ertapenem; gentamicin; imipenem; Klebsiella pneumoniae carbapenemase 3; levofloxacin; meropenem; minocycline; piperacillin plus tazobactam; plasmid DNA; polymyxin B; tigecycline; timentin; tobramycin; unclassified drug; antiinfective agent; bacterial protein; beta lactamase; carbapenem derivative; transposon antibiotic sensitivity; Article; bacterial gene; bacterial genetics; bacterial strain; bacterium; bacterium detection; bacterium isolation; Escherichia coli; extensively drug resistant bacterium; gene dosage; genetic screening; Italy; Klebsiella pneumoniae; Klebsiella pneumoniae carbapenemase 3 producing Klebsiella pneumoniae; minimum inhibitory concentration; molecular cloning; nonhuman; polymerase chain reaction; priority journal; sequence analysis; cell clone; chemistry; drug effects; enzymology; gene expression regulation; genetics; isolation and purification; Klebsiella infection; Klebsiella pneumoniae; metabolism; microbial sensitivity test; microbiology; multidrug resistance; open reading frame; plasmid; transposon Anti-Bacterial Agents; Bacterial Proteins; beta-Lactamases; Carbapenems; Clone Cells; DNA Transposable Elements; Drug Resistance Multiple Bacterial; Gene Dosage; Gene Expression Regulation Bacterial; Italy; Klebsiella Infections; Klebsiella pneumoniae; Microbial Sensitivity Tests; Open Reading Frames; Plasmidsplasmidbacterium isolationEscherichia coliGeneAmikacinbacterium detectionnonhumandoxycyclineisolation and purificationGene Expression Regulation Bacterialbiology.organism_classificationbacterial straincotrimoxazoleOpen reading frameDNA Transposable Elementdrug effectsDNA Transposable Elementsmetabolismaztreonamimipenem
researchProduct

Tumor targeting of baculovirus displaying a lymphatic homing peptide.

2008

Background Tumor-associated cells and vasculature express attractive molecular markers for site-specific vector targeting. To attain tumor-selective tropism, we recently developed a baculovirus vector displaying the lymphatic homing peptide LyP-1, originally identified by ex vivo/in vivo screening of phage display libraries, on the viral envelope by fusion to the transmembrane anchor of vesicular stomatitis virus G-protein. Methods In the present study, we explored the specificity and kinetics of viral binding and internalization as well as in vivo tumor homing of the LyP-1 displaying virus to elucidate the applicability of baculovirus for targeted therapies. Results We demonstrated that th…

virusesmedia_common.quotation_subjectGenetic VectorsMice NudeBiologyPeptides CyclicVirus03 medical and health sciencesTransduction (genetics)Mice0302 clinical medicineViral envelopeViral Envelope ProteinsIn vivoTransduction GeneticCell Line TumorNeoplasmsDrug DiscoveryGeneticsAnimalsHumansTransgenesInternalizationMolecular BiologyGenetics (clinical)030304 developmental biologymedia_commonLymphatic Vessels0303 health sciencesBinding SitesMembrane GlycoproteinsGene Transfer TechniquesGenetic Therapybiology.organism_classificationMolecular biology3. Good healthCell biologyVesicular stomatitis virus030220 oncology & carcinogenesisMolecular MedicineBaculoviridaeEx vivoHoming (hematopoietic)The journal of gene medicine
researchProduct

Ground and first excited electronic state interaction of FAD with some β-carboline derivatives

1987

Abstract The spectrophotometric and thermodynamic properties of molecular complexes of flavine adenine dinucleotide (FAD) with some dihydro β-carboline derivatives have been investigated in aqueous solution. The molecular associations have been examined by means of electronic absorption spectra, since in each a new charge-transfer band has been located, and also the variation of the fluorescence emission of FAD on the solutions has been observed. The formation constants for the molecular complexes were determined from absorption data, using the Foster-Hammick-Wardley method. The quenching fluorescence phenomena observed in FAD is related to the concentration of the dihydro β-carboline deriv…

β carboline derivativesAqueous solutionExcited electronic statebiologyAbsorption spectroscopyChemistryGeneral EngineeringPhotochemistryFluorescenceCofactorStability constants of complexesbiology.proteinPhysical chemistryheterocyclic compoundsAbsorption (chemistry)Spectrochimica Acta Part A: Molecular Spectroscopy
researchProduct

A 2600-year record of past polycyclic aromatic hydrocarbons (PAHs) deposition at Holzmaar (Eifel, Germany)

2014

Polycyclic aromatic hydrocarbons (PAHs) are a proxy for climate- and human-related historical fire activity which has rarely been used beyond 1800 AD. We explored the concentration and composition patterns of PAHs together with other proxies (charcoal, C, N, S, δ13C, δ15N, and δ34S) in a sediment core of Holzmaar as indicators of variations in climate and anthropogenic activity over the past 2600 years. The concentrations of pyrogenic PAHs remained low (< 500 ng g− 1) from the pre-Roman Iron Age (600 BC) until the first significant increases to ca. 1000–1800 ng g− 1 between 1700 and 1750 AD related to regional iron production. The highest increases in pyrogenic PAH concentrations occurred w…

δ13Cbusiness.industryPaleontologyδ15NOceanographyδ34SIron AgeEnvironmental chemistryvisual_artvisual_art.visual_art_mediumSedimentary organic matterCoalPolycyclic HydrocarbonsbusinessCharcoalEcology Evolution Behavior and SystematicsGeologyEarth-Surface ProcessesPalaeogeography, Palaeoclimatology, Palaeoecology
researchProduct

Three existence theorems for weak contractions of Matkowski type

2010

We prove three generalizations of Matkowski’s fixed point theorems for weakly contractions.

fixed point best proximity point cyclic weak contraction property UC.Settore MAT/05 - Analisi Matematica
researchProduct