Search results for "acid–base propertie"

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Acid–Base Properties and Surface Charge Distribution of the Water-Soluble Au102(pMBA)44 Nanocluster

2016

The pKa of the p-mercaptobenzoic acid (pMBA) ligands in the Au102(pMBA)44 nanocluster was measured by using acid–base and IR titration. The observed macroscopic pKa = 6.18 ± 0.05 is significantly more basic than that of free pMBA (pKa = 4.16), and the protonation behavior is anticooperative according to the Hill coefficient n = 0.64 ± 0.04. The cluster is truly water-soluble when more than 22 and insoluble when fewer than 7 ligands are in the deprotonated state. In order to obtain more insight into the anticooperative character, the cluster was modeled at pH ∼6.2 using constant pH molecular dynamics simulations. The pKa values of the individual pMBAs are in the range of 5.18–7.58, depending…

Base (chemistry)acid–base propertiesInorganic chemistryProtonation02 engineering and technology010402 general chemistry01 natural sciencescharge distributionMolecular dynamicsDeprotonationCluster (physics)Surface chargePhysical and Theoretical Chemistryta116chemistry.chemical_classificationChemistryCharge density021001 nanoscience & nanotechnology0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsGeneral EnergyPhysical chemistryTitration0210 nano-technologygold nanoclustersJournal of Physical Chemistry C
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Speciation Studies of Bifunctional 3-Hydroxy-4-Pyridinone Ligands in the Presence of Zn2+ at Different Ionic Strengths and Temperatures

2019

The acid&ndash

acid–base properties3 hydroxy 4 pyridinonePharmaceutical ScienceIonic bondingProtonation02 engineering and technologyAnalytical Chemistry03 medical and health sciencessymbols.namesakechemistry.chemical_compoundacid base propertiesZn-complexationDrug Discoveryspecific ion interaction theorySettore CHIM/01 - Chimica AnaliticaPhysical and Theoretical ChemistryBifunctionalEquilibrium constant030304 developmental biologyVan 't Hoff equation0303 health sciencesLigandOrganic Chemistryextended Debye Hückel3-hydroxy-4-pyridinone3 hydroxy 4 pyridinone; speciation; acid base properties; extended Debye Hückel; Zn-complexation; specific ion interaction theory; van’t Hoff equation; sequestering ability021001 nanoscience & nanotechnologysequestering abilityextended Debye–Hückel3. Good healthvan’t Hoff equationSpecific ion interaction theorychemistryspeciationChemistry (miscellaneous)Ionic strengthsymbolsMolecular MedicinePhysical chemistry0210 nano-technologyacid–base propertie
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