Since the nuclei in a molecule are treated as stationary, it is perhaps natural that interpretations of molecular properties and reactivity have focused primarily upon the electronic density distribution. The role of the nuclei has generally received little explicit consideration. Our objective has been to at least partially redress this imbalance in emphasis. We discuss a number of examples in which the nuclei play the determining role with respect to molecular properties and reactive behavior. It follows that conventional interpretations based solely upon electronic densities and donating or withdrawing tendencies should be made with caution.
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http://dx.doi.org/10.3390/molecules26102982 | DOI Listing |
ACS Nano
January 2025
Department of Chemical and Biomolecular Engineering, National University of Singapore, 4 Engineering Drive 4, Singapore 117585, Singapore.
Metal nanoclusters (NCs), owing to their atomic precision and unique molecule-like properties, have gained widespread attention for applications ranging from catalysis to bioimaging. In recent years, proteins, with their hierarchical structures and diverse functionalities, have emerged as good candidates for functionalizing metal NCs, rendering metal NC-protein conjugates with combined and even synergistically enhanced properties featured by both components. In this Perspective, we explore key questions regarding why proteins serve as complementary partners for metal NCs, the methodologies available for conjugating proteins with metal NCs, and the characterization techniques necessary to elucidate the structures and interactions within this emerging bionano system.
View Article and Find Full Text PDFASN Neuro
January 2025
Center for Molecular Medicine and Genetics, Wayne State University School of Medicine, Detroit, MI, USA.
In light of the increasing importance for measuring myelin ratios - the ratio of axon-to-fiber (axon + myelin) diameters in myelin internodes - to understand normal physiology, disease states, repair mechanisms and myelin plasticity, there is urgent need to minimize processing and statistical artifacts in current methodologies. Many contemporary studies fall prey to a variety of artifacts, reducing study outcome robustness and slowing development of novel therapeutics. Underlying causes stem from a lack of understanding of the myelin ratio, which has persisted more than a century.
View Article and Find Full Text PDFJ Org Chem
January 2025
Faculty of Chemistry and Center for Molecular Materials (CM2), Bielefeld University, Universitätsstraße 25, Bielefeld 33615, Germany.
Spin labels based on Gd complexes are important tools for the elucidation of the structure, dynamics and interaction of biomolecules by electron paramagnetic resonance (EPR) spectroscopy. Their EPR spectroscopic properties line width and relaxation times influence their performance in a particular application. To be able to apply a complex well-suited for a specific application, a set of Gd complexes with different EPR spectroscopic properties ready-made for spin labeling will be highly useful.
View Article and Find Full Text PDFLangmuir
January 2025
Key Laboratory of Surface & Interface Science of Polymer Materials of Zhejiang Province, School of Chemistry and Chemical Engineering, Zhejiang Sci-Tech University, 928 Second Street, Zhejiang, Hangzhou 310018, China.
Molecule-electrode interfaces play a pivotal role in defining the electron transport properties of molecular electronic devices. While extensive research has concentrated on optimizing molecule-electrode coupling (MEC) involving electrode materials and molecular anchoring groups, the role of the molecular backbone structure in modulating MEC is equally vital. Additionally, it is known that the incorporation of heteroatoms into the molecular backbone notably influences factors such as energy levels and conductive characteristics.
View Article and Find Full Text PDFInorg Chem
January 2025
Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.
The functional properties of tetraaryl compounds, M(aryl) (M = transition metal or group 14 element), are dictated not only by their common tetrahedral geometry but also by their central atom. The identity of this atom may serve to modulate the reactivity, electrochemical, magnetic, and optical behavior of the molecular species, or of extended materials built from appropriate tetraaryl building blocks, but this has not yet been systematically evaluated. Toward this goal, here we probe the influence of Os(IV), C, and Si central atoms on the spectroelectrochemical properties of a series of redox-active tetra(ferrocenylaryl) complexes.
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