Depending on the Cu(II)/ligand molar ratio, a pyrimidine-based ligand generates a tetranuclear grid (1/1) or a dinuclear stick (2/1). EPR, MS and visible spectroscopy studies suggest that dilution produces partial dissociation of the grid in solution. Replacement of 2-H-pyrimidine by a 2-phenyl-triazine unit prevents the dissociation of the grid. All these factors influence the magnetic properties of the architectures herein involved.
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http://dx.doi.org/10.1039/c0cc01612h | DOI Listing |
Eur Phys J C Part Fields
December 2024
Department of Physics and Astronomy, University College London, London, WC1E 6BT UK.
J Chem Inf Model
December 2024
Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland Baltimore, Baltimore, Maryland 21201, United States.
Drug efficacy often correlates better with dissociation kinetics than binding affinity alone. To study binding kinetics computationally, it is necessary to identify all of the possible ligand dissociation pathways. The site identification by ligand competitive saturation (SILCS) method involves the precomputation of a set of maps (FragMaps), which describe the free energy landscapes of typical chemical functionalities in and around a target protein or RNA.
View Article and Find Full Text PDFCogn Neurodyn
December 2024
Department of Language Science and Technology, Saarland University, Saarbrücken, Germany.
Theories of the electrophysiology of language comprehension are mostly informed by event-related potential effects observed between condition averages. We here argue that a dissociation between competing effect-level explanations of event-related potentials can be achieved by turning to predictions and analyses at the single-trial level. Specifically, we examine the single-trial dynamics in event-related potential data that exhibited a biphasic N400-P600 effect pattern.
View Article and Find Full Text PDFJ Child Adolesc Trauma
December 2024
Department of Educational and Counselling Psychology, McGill University, 3700 McTavish Street, Room 614, Montreal, QC H3A 1Y2 Canada.
: Adults who have been maltreated as children are at risk for a variety of adverse sequalae that can have a negative impact on parents' emotion-related socialization behaviours (ERSBs) and contribute to the intergenerational transmission of emotion regulation difficulties. However, various supports may reduce unsupportive behaviours. Informed by Belsky's (1984) determinants of parenting model, the goal of the present study was to examine multi-level stressors and supports that may contribute to, or discourage, parents' use of unsupportive ERSBs.
View Article and Find Full Text PDFJ Therm Anal Calorim
August 2024
Croda Europe Ltd, Cowick Hall, Snaith, Goole DN14 9AA UK.
Developing stable biopharmaceutical formulations is of paramount importance and is typically achieved by incorporating surfactants as stabilising agents, such as polysorbate 20 and 80. However, little is known about the effect surfactant grade has on formulation stability. This study evaluates the effect of regular grade and Super-refined™ polysorbates 20 and 80 and their interaction with model proteins, namely β-lactoglobulin (β-Ig), human serum albumin (HSA) and immunoglobulin gamma (IgG), using isothermal titration calorimetry (ITC) and differential scanning calorimetry (DSC).
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