Search results for "conjugate"

showing 10 items of 644 documents

DOTAGA-Trastuzumab. A New Antibody Conjugate Targeting HER2/Neu Antigen for Diagnostic Purposes.

2012

International audience; Improved bifunctional chelating agents (BFC) are required for indium-111 radiolabeling of monoclonal antibodies (mAbs) under mild conditions to yield stable, target-specific agents. 2,2',2″-(10-(2,6-Dioxotetrahydro-2H-pyran-3-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid (DOTAGA-anhydride) was evaluated for mAb conjugation and labeling with indium-111. The DOTA analogue was synthesized and conjugated to trastuzumab-which targets the HER2/neu receptor-in mild conditions (PBS pH 7.4, 25 °C, 30 min) and gave a mean degree of conjugation of 2.6 macrocycle per antibody. Labeling of this immunoconjugate with indium-111 was performed in 75% yield after 1 h a…

Models MolecularImmunoconjugatesReceptor ErbB-2Pharmaceutical Science[CHIM.THER]Chemical Sciences/Medicinal Chemistry[ SDV.CAN ] Life Sciences [q-bio]/CancerMicechemistry.chemical_compound0302 clinical medicineTrastuzumabBreastMice Inbred BALB C0303 health sciencesbiologyChemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryIndium Radioisotopes[ CHIM.COOR ] Chemical Sciences/Coordination chemistry[ CHIM.THER ] Chemical Sciences/Medicinal Chemistry3. Good healthBiochemistry030220 oncology & carcinogenesisMonoclonalFemaleAntibody[CHIM.RADIO]Chemical Sciences/Radiochemistry[ CHIM.RADIO ] Chemical Sciences/RadiochemistryBiotechnologymedicine.drugBiodistributionmedicine.drug_classBiomedical EngineeringBreast NeoplasmsBioengineering[SDV.CAN]Life Sciences [q-bio]/CancerAntibodies Monoclonal HumanizedMonoclonal antibodyAnhydridesHeterocyclic Compounds 1-Ring03 medical and health sciences[ CHIM.ORGA ] Chemical Sciences/Organic chemistryCell Line TumormedicineAnimalsHumansDOTA[CHIM.COOR]Chemical Sciences/Coordination chemistry030304 developmental biologyTomography Emission-Computed Single-PhotonPharmacologyOrganic ChemistryTrastuzumabMolecular biologyIn vitroImmunoconjugatebiology.protein
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N-doped carbon networks: alternative materials tracing new routes for activating molecular hydrogen.

2014

The fragmentation of molecular hydrogen on N-doped carbon networks was investigated by using molecular (polyaromatic macrocycles) as well as truncated and periodic (carbon nanotubes) models. The computational study was focused on the ergonicity analysis of the reaction and on the properties of the transition states involved when constellations of three or four pyridinic nitrogen atom defects are present in the carbon network. Calculations show that whenever N-defects are embedded in species characterized by large conjugated π-systems, either in polyaromatic macrocycles or carbon nanotubes, the corresponding H2 bond cleavage is largely exergonic. The fragmentation Gibbs free energy is affect…

Models MolecularMacrocyclic CompoundsHydrogenNitrogenchemistry.chemical_elementCarbon nanotubeConjugated systemCatalysislaw.inventionsymbols.namesakeFragmentation (mass spectrometry)lawCarbon networkDopingOrganic chemistryBond cleavageExergonic reactionChemistryNanotubes CarbonOrganic ChemistryChemistry (all)General ChemistryTransition stateCarbonGibbs free energyNanotubeMacrocycleChemical physicssymbolsDensity functional calculationHydrogenChemistry (Weinheim an der Bergstrasse, Germany)
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Structural studies of five novel bile acid-4-aminopyridine conjugates

2012

Abstract Synthesis and solid-state structural characterization of five bile acid amides of 4-aminopyridine (4-AP) are reported. Systematic crystallization experiments revealed a number of structural modifications and/or solvate/hydrate systems for these conjugates. Particularly, cholic acid conjugate exhibited five distinct structure modifications, including one anhydrous form, mono- and dihydrates, as well as ethanol and 2-butanol solvates. The obtained crystal forms were examined extensively with various analytical methods, including solid-state NMR, Raman, and IR spectroscopies, powder and single crystal X-ray diffraction methods, thermogravimetry, and differential scanning calorimetry. …

Models MolecularMagnetic Resonance Spectroscopymedicine.drug_classButanolsClinical BiochemistryCrystallography X-RaySpectrum Analysis RamanBiochemistrylaw.inventionBile Acids and Saltschemistry.chemical_compoundEndocrinologylawmedicineOrganic chemistry4-AminopyridineCrystallizationta116Molecular BiologyPharmacologyCalorimetry Differential ScanningEthanolBile acidOrganic ChemistryCholic acidAmidesThermogravimetryCrystallographychemistryPolymorphism (materials science)ThermogravimetrySolventsCrystallizationHydrateSingle crystalConjugateSteroids
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Synthesis of site-heterologous haptens for high-affinity anti-pyraclostrobin antibody generation.

2011

The design and synthesis of functional chemical derivatives of small organic molecules is usually a key step for the intricate production of a variety of bioconjugates. In this respect, the derivatization site at which the spacer arm is introduced in immunizing conjugates constitutes a highly critical parameter for the generation of high-affinity and selective antibodies. However, due to the usual complexity of the required synthetic procedures, the appropriate comparison of alternative tethering positions has often been neglected. In the present study, meticulous strategies were followed to prepare synthetic derivatives of pyraclostrobin with the same linkers located at diverse rationally-…

Models MolecularMolecular modelStereochemistryHeterologousBiochemistryAntibodieschemistry.chemical_compoundAntibody generationMoleculePhysical and Theoretical ChemistryImmunoassaysDerivatizationBioconjugationMolecular StructureOrganic ChemistryStrobilurinsCombinatorial chemistryAffinitieschemistryComputer assisted molecular modelingPyrazolesCarbamatesHaptenHaptensConjugateOrganicbiomolecular chemistry
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Polyamine conjugates of stigmasterol.

2012

Abstract Three new polyamine conjugates with stigmasterol [(3β,22 E )-stigmasta-5,22-dien-3-ol] were synthesized and subjected to basic antimicrobial and cytotoxic tests. The conjugate derived from spermine, (3β,22 E )-stigmasta-5,22-dien-3-yl 4(12-amino-4,9-diaza-dodecylamino)-4-oxobutanoate ( 5c ), displayed considerable antimicrobial activity on Staphylococcus aureus at low concentration (50 μg mL −1 ). The cytotoxic activity was tested on cells of human T-lymfoblastic leukemia (IC 50  = 35.8 ± 10.3 μM ( 5c ) and IC 50  = 35.9 ± 5.7 μM ( 5b )) and normal human fibroblasts (IC 50  = 38.0 ± 2.8 μM ( 5c ) and IC 50  = 45.5 ± 1.9 μM ( 5b )). Conjugate 5a displayed no activity in both tests.

Models MolecularStaphylococcus aureusChemical PhenomenaStereochemistryClinical BiochemistryCarboxylic AcidsMolecular ConformationStigmasterolSpermineAntineoplastic Agentsmedicine.disease_causeBiochemistrychemistry.chemical_compoundEndocrinologyAmideCell Line TumormedicinePolyaminesCytotoxic T cellHumansta116Molecular BiologyPharmacologyStigmasterolDose-Response Relationship DrugOrganic ChemistryAntimicrobialAnti-Bacterial AgentschemistryStaphylococcus aureusDrug DesignPolyamineConjugateSteroids
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Energy transfers in monomers, dimers, and trimers of zinc(II) and palladium(II) porphyrins bridged by rigid Pt-containing conjugated organometallic s…

2009

A series of linear monomers (spacer-M(P)), dimers (M(P)-spacer-M'(P)), and trimers (M(P)-spacer-M'(P)-spacer-M(P)) of spacer/metalloporphyrin systems (M' = Zn, M = Zn, Pd, P = porphyrin, and spacer = trans-C(6)H(4)C[triple bond]CPtL(2)C[triple bond]CC(6)H(4)- (L = PEt(3))) including mixed metalloporphyrin compounds, were synthesized and characterized. The S(1) and T(1) energy transfers Pd(P)*--Zn(P) occur with rates of approximately 2 x 10(9) s(-1), S(1), and 0.15 x 10(3) (slow component) and 4.3 x 10(3) s(-1) (fast component), T(1). On the basis of a literature comparison with a related dyad, the Pt atom in the conjugated chain slows down the transfers. The excitation in the absorption ban…

Models MolecularTime FactorsOrganoplatinum CompoundsStereochemistryMetalloporphyrinsMolecular Conformationchemistry.chemical_elementZincConjugated system010402 general chemistryLigands01 natural sciences7. Clean energyAbsorptionInorganic Chemistrychemistry.chemical_compoundAtomtrimerPhysical and Theoretical ChemistryComputingMilieux_MISCELLANEOUSmetalloporphyrinenergy transfer010405 organic chemistrySpectrum AnalysiszincmonomerdimerpalladiumPorphyrin0104 chemical sciences3. Good health[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographyMonomerchemistryAbsorption bandLuminescent Measurements[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistryconjugated organometallic spacerDimerizationExcitationPalladium
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Synthesis and molecular properties of donor–π-spacer–acceptor ynamides with up to four conjugated alkyne units

2010

A set of push-pull ynamides with up to four conjugated triple bonds has been synthesized and the molecular properties of these new carbon rods have been characterised showing effective intramolecular charge transfers and high values for the change of the electrical dipole moment after transition from the ground to the Franck-Condon excited state.

Molecular ConformationAlkynechemistry.chemical_elementConjugated systemCrystallography X-RayPhotochemistryCatalysisMaterials ChemistryPhysics::Atomic PhysicsPhysics::Chemical Physicschemistry.chemical_classificationQuantitative Biology::BiomoleculesChemistryMetals and AlloysGeneral ChemistryTriple bondAmidesAcceptorSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsElectric dipole momentAlkynesIntramolecular forceExcited stateCeramics and CompositesSpectrophotometry Ultravioletsense organsCarbonChemical Communications
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Enantioselective zinc-mediated conjugate alkynylation of saccharin-derived 1-aza-butadienes

2020

The enantioselective 1,4-alkynylation of conjugated imines derived from saccharin with aryl- and alkyl-substituted terminal alkynes has been achieved. The reaction mediated by diethylzinc in the presence of a catalytic amount of a bis(hydroxy)malonamide chiral ligand provides the corresponding imines bearing a propargylic stereocenter with moderate yields and fair to excellent enantioselectivities.

Molecular Conformationchemistry.chemical_elementZincConjugated systemCrystallography X-RayLigandsCatalysisStereocenterchemistry.chemical_compoundSaccharinCompostos orgànicsMaterials ChemistryChemistryArylChiral ligandMetals and AlloysEnantioselective synthesisStereoisomerismGeneral ChemistryDiethylzincCombinatorial chemistrySurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsZincCeramics and CompositesIminesQuímica orgànicaConjugateChemical Communications
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Electronic excited states of conjugated cyclic ketones and thioketones : A theoretical study

2002

Absorption spectra of a series of cyclic conjugated ketones and thioketones have been computed at the multiconfigurational second-order multistate perturbation level of theory, the CASSCF/MS-CASPT2 method. Excitation energies, transition dipole moments, oscillator strengths, and static dipole moments are reported and discussed for excited states with energies lower than ≈ 7–8 eV. The main bands of the spectra have been assigned and characterized in most cases for the first time. The spectroscopy of the different systems is compared in detail. Thioketones in particular have low-energy and intense ππ∗ transitions which suggest corresponding enhanced nonlinear molecular optical properties. Add…

Molecular MomentsAbsorption spectroscopyChemistryOrganic CompoundsTransition MomentsGeneral Physics and AstronomyOscillator StrengthsExcited StatesConjugated systemSCF CalculationsSpectral lineUNESCO::FÍSICA::Química físicaDipoleExcited stateTheoretical chemistryPhysical and Theoretical ChemistryAtomic physicsOrganic Compounds ; Excited States ; SCF Calculations ; Molecular Moments ; Oscillator Strengths ; Transition MomentsSpectroscopy:FÍSICA::Química física [UNESCO]Excitation
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Site-specific incorporation of perylene into an N-terminally modified light-harvesting complex II.

2010

Employing the utility of the native chemical ligation, site-specific attachment of an ultrastable perylene dye to a derivative of the major light-harvesting complex (LHCII) was demonstrated. Biochemical analysis of the conjugate indicated that the structure and function of LHCII remain largely unaffected by the N-terminal modification.

Molecular Sequence DataLight-Harvesting Protein Complexes010402 general chemistryPhotochemistry01 natural sciencesBiochemistry03 medical and health scienceschemistry.chemical_compoundPhysical and Theoretical ChemistryFLUORESCENCEPROTEIN LIGATIONPerylene030304 developmental biologyFluorescent DyesPlant Proteins0303 health sciencesSTABILITYOrganic ChemistryMICROSCOPYPlantsNative chemical ligationFluorescenceLIVE CELLS0104 chemical sciencesStructure and functionchemistryBiophysicsSMALL-MOLECULE PROBESCYSTEINEPeryleneDerivative (chemistry)DYESCysteineConjugateLight harvesting complex IIOrganicbiomolecular chemistry
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