Interaction between norharmane and three different 2'-deoxynucleotides (dNMP) (2'-deoxyguanosine 5'-monophosphate (dGMP), 2'-deoxyadenosine 5'-monophosphate (dAMP) and 2'-deoxycytidine 5'-monophosphate (dCMP)), in aqueous solution, was studied in the ground state by means of UV-vis and (1)H-NMR spectroscopy and in the first electronic excited state using steady-state and time-resolved fluorescence spectroscopy. In all cases, the norharmane-dNMP interaction dependence on the pH was examined. Possible mechanisms for the interaction of both ground and electronic excited states of norharmane with nucleotides are discussed. Spectroscopic, molecular modeling and chemometric analysis were performed to further characterize the chemical structure of the complexes formed and to get additional information concerning the interaction between dNMPs and norharmane.
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http://dx.doi.org/10.1039/c4cp01910e | DOI Listing |
Sci Rep
January 2025
Computational Physics Key Laboratory of Sichuan Province, Yibin University, Yibin, China.
The potential energy curves, dipole moments and transition dipole moments of the 14 Λ-S states and 30 Ω states of TlBr cation were performed using the multi-reference configuration interaction method. The Davidson correction and spin-orbit coupling effects were also considered. The spectroscopic properties and transition properties of TlBr cation were reported at the first time.
View Article and Find Full Text PDFNeuropharmacology
January 2025
Department of Neuroscience; Department of Psychiatry and Behavioral Sciences, Addiction Sciences Division, Medical University of South Carolina, Charleston, SC 29425. Electronic address:
Alcohol use disorder is associated with altered function of cortical-amygdala-striatal circuits such as the orbitofrontal cortex (OFC), basolateral amygdala (BLA) and their connections to the dorsal medial striatum (DMS) shown to be involved in goal-directed actions. Using retrobead tracing, we previously reported enhanced excitability of DMS-projecting OFC neurons in mice following 3-to-7-day withdrawal from chronic intermittent ethanol (CIE) exposure. In the same animals, spiking of DMS-projecting BLA neurons was decreased at 3-days post-withdrawal followed by an increase in firing at 7- and 14-days.
View Article and Find Full Text PDFJ Hazard Mater
January 2025
Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China.
Sunlight irradiation of dissolved organic matter (DOM) in surface water results in the production of photochemically produced reactive intermediates (PPRIs). This process is inevitably influenced by co-existing metal ions in aquatic environments; However, the underlying mechanism remains unclear. In this study, the effect of co-existing copper ion (Cu) on PPRIs produced by irradiation of DOM was systematically investigated, because Cu is a typical redox transient cation and has strong affinity to DOM.
View Article and Find Full Text PDFChemistry
January 2025
University of Windsor Faculty of Science, Chemistry & Biochemsitry, 401 Sunset Avenue, N9B 3P4, Windsor, CANADA.
Attachment of three different heterocycles with electron donor or acceptor character to a central 1,3,5-triazine core generates readily soluble side-chain free dyes with two displaying soft crystalline mesomorphism and one displaying a nematic liquid crystal phase as confirmed by polarized optical microscopy, calorimetry, gravimetric analysis, and powder X-ray diffraction. Equally intriguing is the dyes' relatively strong electronic communication between donor and acceptor subchromophores that are meta-conjugated to one another, which is experimentally observed as a broad intramolecular charge-transfer absorption that can extend over 100 nm past the most intense absorption event and is computationally confirmed through density functional theory (DFT) evaluations of the molecular ground- and excited-state properties. This molecular design permits the preparation of dyes with panchromatic absorption not just based on the additive absorption of individual subchromophores.
View Article and Find Full Text PDFInorg Chem
January 2025
Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024, China.
Atomically precise nanoclusters, distinguished by their unique nuclearity- and structure-dependent properties, hold great promise for applications of energy conversion and electronic transport. However, the relationship between ligands and their properties remains a mystery yet to be unrevealed. Here, the influence of ligands on the electronic structures, optical properties, excited-state dynamics, and transport behavior of ReS dimer clusters with different ligands is explored using density functional theory combined with time-domain nonadiabatic molecular dynamic simulations.
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