Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1103/physrevc.53.1205 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Electronic structure of norbornadiene and quadricyclane.
Phys Chem Chem Phys
January 2025
Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QZ, UK.
The ground and excited state electronic structure of the molecular photoswitches quadricyclane and norbornadiene is examined qualitatively and quantitatively. A new custom basis set is introduced, optimised for efficient yet accurate calculations. A number of advanced multi-configurational and multi-reference electronic structure methods are evaluated, identifying those sufficiently accurate and efficient to be used in on-the-fly simulations of photoexcited dynamics.
View Article and Find Full Text PDFThe SARS-CoV-2 nucleocapsid protein interferes with the full enzymatic activation of UPF1 and its interaction with UPF2.
Nucleic Acids Res
January 2025
Molecular Microbiology and Structural Biochemistry, MMSB-IBCP, CNRS UMR 5086 , Université Claude Bernard Lyon 1, F-69367 Lyon, France.
The nonsense-mediated mRNA decay (NMD) pathway triggers the degradation of defective mRNAs and governs the expression of mRNAs with specific characteristics. Current understanding indicates that NMD is often significantly suppressed during viral infections to protect the viral genome. In numerous viruses, this inhibition is achieved through direct or indirect interference with the RNA helicase UPF1, thereby promoting viral replication and enhancing pathogenesis.
View Article and Find Full Text PDFEffect of A-DNA and B-DNA Conformation on the Interplay between Local Excitations and Charge-Transfer States in the Ultrafast Decay of Guanine-Cytosine Stacked Dimers: A Quantum Dynamical Investigation.
J Phys Chem A
January 2025
Istituto di Biostrutture e Bioimmagini-CNR (IBB-CNR), Via De Amicis 95, I-80145 Napoli, Italy.
We here simulate in the gas phase the population dynamics of guanine/cytosine (GC) and cytosine/guanine (CG) stacked dimers in B-DNA and A-DNA arrangement, following excitation in the lowest-energy band, and considering the four lowest-energy ππ* bright excited states, the three lowest-energy π* states, and the G → C charge-transfer (CT) state. We resort to a generalized Linear Vibronic Coupling (LVC) model parametrized with time-dependent density functional theory (TD-DFT) computations, exploiting a fragment-based diabatization and we run nonadiabatic quantum dynamical simulations with the multilayer version of the Multiconfigurational Time-Dependent Hartree (ML-MCTDH) approach. G → C CT results in a major decay process for GC in B-DNA but less in A-DNA arrangement, where also the population transfer to the lowest-energy excited state localized on C is an important intermonomer process.
View Article and Find Full Text PDFCo single-atom catalyst on ordered macro-microporous structure as separator for Li-S battery.
J Colloid Interface Sci
January 2025
State Key Laboratory Base of Eco-Chemical Engineering, International Science and Technology Cooperation Base of Eco-chemical Engineering and Green Manufacturing, College of Chemistry and Molecular Engineering, College of Environment and Safety Engineering, Qingdao University of Science and Technology, Qingdao 266042, P. R. China. Electronic address:
Lithium-sulfur (Li-S) batteries have attracted significant attention due to their high theoretical energy density, low cost and environmental friendliness, which are considered one of the most promising candidates for next-generation energy storage devices. However, the sluggish kinetics associated with sulfur oxidation-reduction reactions and the detrimental shuttle effect caused by lithium polysulfides (LiPSs) significantly impacts the electrochemical performance of Li-S batteries. In this work, Co single-atom catalyst (Co-NC) on an ordered macro-microporous structure are designed, and the catalyst are coated onto 2325 separator.
View Article and Find Full Text PDFUnraveling the shifts in the belowground microbiota and metabolome of Pinus pinaster trees affected by forest decline.
Sci Total Environ
January 2025
Microbiology of Agroforestry Ecosystems, Department of Soil and Plant Microbiology, Estación Experimental del Zaidín, CSIC, Profesor Albareda 1, 18008 Granada, Spain. Electronic address:
Pinus pinaster Aiton (maritime pine) stands are suffering a generalized deterioration due to different decline episodes throughout all its distribution area. It is well known that external disturbances can alter the plant associated microbiota and metabolome, which ultimately can entail the disruption of the normal growth of the hosts. Notwithstanding, very little is known about the shifts in the microbiota and the metabolome in pine trees affected by decline.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!