Search results for "SUBSTITUTION"

showing 10 items of 536 documents

Bis(4-methylthio)phenylthiomethane as assembling ligand for the construction of Cu(I) and Hg(II) coordination polymers. Crystal structures and topolo…

2016

International audience; The novel 1D coordination polymer (CP) [{Cu(mu(2)-Br)(2)Cu}(mu-L2)(2)] CP2 has been obtained by reaction of the tetrakisthioether p-MeSC6H4SCH2SC6H4SMe-p (L2) with CuBr in a 1: 2 metal-to ligand ratio. In contrast to the previously described CP [{Cu(mu(2)-Br)(2)Cu}(mu-L1)(2)] CP1 obtained by reaction of the tetrakisthioether p-MeOC6H4SCH2SC6H4OMe-p (L1) with CuBr, the two independent extended 1D ribbons contain bent Cu(mu(2)-Br)(2)Cu units of the butterfly-type with short Cu center dot center dot center dot Cu separations of 2.679(1) and 2.613(1) angstrom. In contrast to the common planar rhomboid Cu(mu(2)-Br)(2)Cu cluster, this butterfly-shaped geometry of the core …

QT-AIMLuminescenceCoordination polymerStereochemistryCoordination number[ PHYS.ASTR ] Physics [physics]/Astrophysics [astro-ph]StackingCrystal structure[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistry01 natural sciences[ CHIM ] Chemical Sciencesdinuclear copper(i) complexesInorganic Chemistrychemistry.chemical_compoundelectron-densityThioetheraryl substitutionMaterials Chemistry[CHIM]Chemical Sciencescluster-sizePhysical and Theoretical Chemistrytetrathioether complexesComputingMilieux_MISCELLANEOUSThioether complexesluminescence properties010405 organic chemistrypi-pi stackingAtoms in moleculescu-i interaction[ CHIM.INOR ] Chemical Sciences/Inorganic chemistryMercury0104 chemical sciencesCoordination polymersCrystallographychemistryCovalent bondextended 1dStoichiometryCoppermetal-complexes
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Protein linear indices of the ‘macromolecular pseudograph α-carbon atom adjacency matrix’ in bioinformatics. Part 1: Prediction of protein stability …

2005

Abstract A novel approach to bio-macromolecular design from a linear algebra point of view is introduced. A protein’s total (whole protein) and local (one or more amino acid) linear indices are a new set of bio-macromolecular descriptors of relevance to protein QSAR/QSPR studies. These amino-acid level biochemical descriptors are based on the calculation of linear maps on R n [ f k ( x m i ) : R n → R n ] in canonical basis. These bio-macromolecular indices are calculated from the kth power of the macromolecular pseudograph α-carbon atom adjacency matrix. Total linear indices are linear functional on R n . That is, the kth total linear indices are linear maps from R n to the scalar R [ f k …

Quantitative structure–activity relationshipClinical BiochemistryQuantitative Structure-Activity RelationshipPharmaceutical ScienceBiochemistryCombinatoricsViral ProteinsLinear formDrug DiscoveryLinear regressionViral Regulatory and Accessory ProteinsMolecular BiologyAlanineChemistryOrganic ChemistryTemperatureLinear modelComputational BiologyProteinsModels TheoreticalLinear discriminant analysisMatthews correlation coefficientRepressor ProteinsAmino Acid SubstitutionTopological indexMutationLinear algebraLinear ModelsMolecular MedicineSoftwareBioorganic & Medicinal Chemistry
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An unusually high substitution rate in transplant-associated BK polyomavirus in vivo is further concentrated in HLA-C-bound viral peptides

2018

Infection with human BK polyomavirus, a small double-stranded DNA virus, potentially results in severe complications in immunocompromised patients. Here, we describe the in vivo variability and evolution of the BK polyomavirus by deep sequencing. Our data reveal the highest genomic evolutionary rate described in double-stranded DNA viruses, i.e., 10−3–10−5 substitutions per nucleotide site per year. High mutation rates in viruses allow their escape from immune surveillance and adaptation to new hosts. By combining mutational landscapes across viral genomes with in silico prediction of viral peptides, we demonstrate the presence of significantly more coding substitutions within predicted cog…

RNA viruses0301 basic medicineMutation ratePhysiologyvirusesUrinePathology and Laboratory Medicinemedicine.disease_causeBiochemistryMedicine and Health SciencesBiology (General)Amino AcidsGenome EvolutionPhylogenyData ManagementMutationOrganic CompoundsHigh-Throughput Nucleotide SequencingPhylogenetic AnalysisDNA virusGenomicsBody FluidsBK virusPhylogeneticsChemistryMedical MicrobiologyViral PathogensViral evolutionVirusesPhysical SciencesEvolutionary RatePathogensAnatomyResearch ArticleComputer and Information SciencesEvolutionary ProcessesQH301-705.5ImmunologyGenome ViralHLA-C AntigensBiologyMicrobiologyMolecular EvolutionViral EvolutionVirusDeep sequencing03 medical and health sciencesVirologyGeneticsmedicineHumansEvolutionary SystematicsMicrobial PathogensMolecular BiologyTaxonomyEvolutionary BiologyPolyomavirus InfectionsOrganic ChemistryOrganismsChemical CompoundsBiology and Life SciencesComputational BiologyProteinsOrgan TransplantationRC581-607030112 virologyVirologyOrganismal EvolutionPeptide FragmentsPolyomaviruses030104 developmental biologyAmino Acid SubstitutionBK VirusMicrobial EvolutionMutationParasitologyImmunologic diseases. AllergyDNA virusesPolyomavirus Infections
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An Experimental and Computational Study on the Effect of Al(OiPr)3 on Atom-Transfer Radical Polymerization and on the Catalyst-Dormant Chain Halogen …

2005

International audience; Compound Al(OiPr)3 is shown to catalyze the halide-exchange process leading from [Mo(Cp)Cl2(iPrN=CH-CH=NiPr)] and CH3CH(X)COOEt (X=Br, I) to the mixed-halide complexes [Mo(Cp)ClX(iPrN=CH-CH=NiPr)]. On the other hand, no significant acceleration is observed for the related exchange between [MoX3(PMe3)3] (X=Cl, I) and PhCH(Br)CH3, by analogy to a previous report dealing with the RuII complex [RuCl2(PPh3)3]. A DFT computation study, carried out on the model complexes [Mo(Cp)Cl2(PH3)2], [MoCl3(PH3)3], and [RuCl2(PH3)3], and on the model initiators CH3CH(Cl)COOCH3, CH3Cl, and CH3Br, reveals that the 16-electron RuII complex is able to coordinate the organic halide RX in a…

Radical polymerizationHalide010402 general chemistryPhotochemistry01 natural sciencesCatalysisAdductLewis acid catalysisNucleophilic substitution[CHIM.COOR]Chemical Sciences/Coordination chemistryLewis acids and bases010405 organic chemistryAtom-transfer radical-polymerizationChemistryOrganic ChemistryGeneral ChemistryHalide exchange[CHIM.CATA]Chemical Sciences/Catalysis0104 chemical sciencesLewis acid catalysis[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallography[CHIM.POLY]Chemical Sciences/PolymersDensity functional theoryDensity functional theoryHalogen atom transfer
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The Ability of Variant Peptides to Reverse the Nonresponsiveness of T Lymphocytes to the Wild-Type Sequence p53264–272 Epitope

2002

Abstract Recently, we observed that CTL specific for the wild-type (wt) sequence p53264–272 peptide could only be expanded ex vivo from PBMC of a subset of the HLA-A2.1+ normal donors or cancer patients tested. Surprisingly, the tumors of the responsive patients expressed normal levels of wt p53 and could be considered unlikely to present this epitope. In contrast, tumors of nonresponsive patients accumulated mutant p53 and were more likely to present this epitope. We sought to increase the responsive rate to the wt p53264–272 peptide of PBMC obtained from normal donors and patients by identifying more immunogenic variants of this peptide. Two such variants were generated by amino acid exch…

Receptors Antigen T-Cell alpha-betaT cellImmunologyAntigen presentationEpitopes T-LymphocytePeptideBiologyLymphocyte ActivationEpitopeT-Lymphocyte SubsetsHLA-A2 AntigenImmune ToleranceTumor Cells CulturedmedicineHumansImmunology and AllergyGene Rearrangement beta-Chain T-Cell Antigen ReceptorCells CulturedMouth neoplasmchemistry.chemical_classificationAntigen PresentationT-cell receptorWild typeCytotoxicity Tests ImmunologicVirologyPeptide FragmentsCTL*medicine.anatomical_structureAmino Acid SubstitutionchemistryCarcinoma Squamous CellLeukocytes MononuclearMouth NeoplasmsTumor Suppressor Protein p53Protein BindingT-Lymphocytes CytotoxicThe Journal of Immunology
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Real Virtuality: A Code of Ethical ConductRecommendations for Good Scientific Practice and the Consumers of VR-Technology

2016

The goal of this article is to present a first list of ethical concerns that may arise from research and personal use of virtual reality (VR) and related technology, and to offer concrete recommendations for minimizing those risks. Many of the recommendations call for focused research initiatives. In the first part of the article, we discuss the relevant evidence from psychology that motivates our concerns. In Section “Plasticity in the Human Mind,” we cover some of the main results suggesting that one’s environment can influence one’s psychological states, as well as recent work on inducing illusions of embodiment. Then, in Section “Illusions of Embodiment and Their Lasting Effect,” we go …

Robotics and AIEthicsInformed Consentdual uselcsh:Mechanical engineering and machinerydepersonalization disorderAvataraugmented realitylcsh:QA75.5-76.95derealizationvirtual realitylcsh:TJ1-1570lcsh:Electronic computers. Computer sciencesubstitutional realityFrontiers in Robotics and AI
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AP5Z1/SPG4 8 frequency in autosomal recessive and sporadic spastic paraplegia

2014

Hereditary spastic paraplegias (HSP) constitute a rare and highly heterogeneous group of neurodegenerative disorders, defined clinically by progressive lower limb spasticity and pyramidal weakness. Autosomal recessive HSP as well as sporadic cases present a significant diagnostic challenge. Mutations in AP5Z1, a gene playing a role in intracellular membrane trafficking, have been recently reported to be associated with spastic paraplegia type 48 (SPG48). Our objective was to determine the relative frequency and clinical relevance of AP5Z1 mutations in a large cohort of 127 HSP patients. We applied a targeted next-generation sequencing approach to analyze all coding exons of the AP5Z1 gene. …

SPG48Nonsynonymous substitutionHereditary spastic paraplegiaGene mutationBioinformaticsDeep sequencing03 medical and health sciencesExon0302 clinical medicinetargeted next-generation sequencingGeneticsSpasticmedicineddc:610hereditary spastic paraplegiaMolecular BiologyGeneGenetics (clinical)030304 developmental biologyGenetic testingGenetics0303 health sciencesClinical Reportmedicine.diagnostic_testbusiness.industrymedicine.disease3. Good healthAP5Z1business030217 neurology & neurosurgeryMolecular Genetics & Genomic Medicine
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The apparent losses due to metering errors: a proactive approach to predict losses and schedule maintenance

2014

The effects of water meter age and private tanks on the apparent losses due to metering errors were evaluated by experimental and theoretical analyses. A monitoring campaign on a small district metered area (DMA) was carried out to determine the causes of apparent losses and implement a numerical model. Metering errors are affected by the flow rate passing through the meter, which is dependent on the network pressure and water level of the private tank. A node model that reproduces the effect of private tanks was coupled with EPANET and was applied to the DMA. The proposed modelling approach was used to identify where apparent losses are higher and to schedule maintenance. The model predict…

ScheduleEngineeringPetroleum engineeringReducerbusiness.industryGeography Planning and DevelopmentFlow (psychology)water meter under-registrationwater meter substitution planapparent losseprivate water tankMetreNode (circuits)Metering modebusinessunmeasured flow reducerSimulationWater Science and TechnologyUrban Water Journal
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Modelling Dependencies Between Classifiers in Mobile Masquerader Detection

2004

The unauthorised use of mobile terminals may result in an abuse of sensitive information kept locally on the terminals or accessible over the network. Therefore, there is a need for security means capable of detecting the cases when the legitimate user of the terminal is substituted. The problem of user substitution detection is considered in the paper as a problem of classifying the behaviour of the person interacting with the terminal as originating from the user or someone else. Different aspects of behaviour are analysed by designated one-class classifiers whose classifications are subsequently combined. A modification of majority voting that takes into account some of the dependencies …

Scheme (programming language)Majority ruleComputer sciencebusiness.industrySubstitution (logic)Base (topology)Machine learningcomputer.software_genreInformation sensitivityTerminal (electronics)Artificial intelligenceData miningbusinesscomputercomputer.programming_language
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When the brain goes diving: glial oxidative metabolism may confer hypoxia tolerance to the seal brain.

2009

Deep diving mammals have developed strategies to cope with limited oxygen availability when submerged. These adaptations are associated with an increased neuronal hypoxia tolerance. Brain neurons of the hooded seal Cysto- phora cristata remain much longer active in hypoxic condi- tions than those of mice. To understand the cellular basis of neuronal hypoxia tolerance, we studied neuroglobin and cy- tochrome c in C. cristata brain. Neuroglobin, a respiratory protein typically found in vertebrate neurons, displays three unique amino acid substitutions in hooded seal. However, these substitutions unlikely contribute to a modulation of O2 affinity. Moreover, there is no significant difference i…

Seals EarlessCentral nervous systemMolecular Sequence DataNeuroglobinNerve Tissue ProteinsBiologyRats Sprague-DawleyMiceSpecies SpecificityCerebellummedicinePremovement neuronal activityAnimalsAmino Acid SequenceHypoxia Brainchemistry.chemical_classificationNeuronsReactive oxygen speciesMice Inbred BALB CSequence Homology Amino AcidGeneral NeuroscienceBrainCytochromes cHypoxia (medical)Cell biologyGlobinsRatsRespiratory proteinMice Inbred C57BLmedicine.anatomical_structureBiochemistrychemistryAmino Acid SubstitutionNeuroglobinAstrocytesNeurogliaFemalemedicine.symptomNeurogliaAstrocyteNeuroscience
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